REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = RESIDUE MS1 30 100 1 100 1 PHI1 0 0 0.0000 2 1 3 5 0 2 PHI2 0 0 0.0000 1 3 5 9 0 3 PHI3 0 0 0.0000 3 5 9 13 0 4 PHI4 0 0 0.0000 5 9 13 97 0 5 CHI1 0 0 0.0000 9 13 14 15 95 6 CHI2 0 0 0.0000 13 14 15 16 92 7 CHI3 0 0 0.0000 14 15 17 18 92 8 CHI4 0 0 0.0000 19 24 25 26 89 9 CHI5 0 0 0.0000 24 25 26 27 67 10 CHI6 0 0 0.0000 25 26 28 29 67 11 CHI7 0 0 0.0000 28 29 30 31 65 12 CHI8 0 0 0.0000 30 31 33 34 38 13 CHI9 0 0 0.0000 31 33 35 36 38 14 CHI10 0 0 0.0000 30 39 42 43 65 15 CHI11 0 0 0.0000 39 42 43 44 56 16 CHI12 0 0 0.0000 42 43 44 45 56 17 CHI13 0 0 0.0000 43 44 45 46 55 18 CHI14 0 0 0.0000 44 45 46 47 52 19 CHI15 0 0 0.0000 45 46 47 48 52 20 CHI16 0 0 0.0000 46 47 49 50 50 21 CHI17 0 0 0.0000 46 47 51 52 52 22 CHI18 0 0 0.0000 39 42 57 58 64 23 CHI19 0 0 0.0000 42 57 58 59 61 24 CHI20 0 0 0.0000 57 58 59 60 60 25 CHI21 0 0 0.0000 42 57 62 63 63 26 CHI22 0 0 0.0000 24 25 68 69 89 27 CHI23 0 0 0.0000 25 68 69 70 86 28 CHI24 0 0 0.0000 73 74 75 76 78 29 PHI5 0 0 0.0000 9 13 97 99 0 30 PHI6 0 0 0.0000 13 97 99 100 0 1 OE1 O_HYD 0 0.0000 -4.5030 -0.2980 9.1280 2 3 0 0 0 2 HE1 H_OXY 0 0.0000 -5.1470 -0.8060 9.6390 1 0 0 0 0 3 CD C_BYL 0 0.0000 -3.2830 -0.0580 9.6340 1 4 5 0 0 4 OE2 O_BYL 0 0.0000 -2.9910 -0.4770 10.7290 3 0 0 0 0 5 CG C_ALI 0 0.0000 -2.2790 0.7340 8.8380 3 6 7 9 0 6 HG1 H_ALI 0 0.0000 -2.6800 1.7270 8.6330 5 0 0 0 8 7 HG2 H_ALI 0 0.0000 -2.0780 0.2230 7.8960 5 0 0 0 8 8 Q1 PSEUD 0 0.0000 -2.3790 0.9750 8.2645 0 0 0 0 0 9 CB C_ALI 0 0.0000 -0.9810 0.8620 9.6370 5 10 11 13 0 10 HB1 H_ALI 0 0.0000 -0.5810 -0.1300 9.8410 9 0 0 0 12 11 HB2 H_ALI 0 0.0000 -1.1830 1.3730 10.5780 9 0 0 0 12 12 Q2 PSEUD 0 0.0000 -0.8820 0.6215 10.2095 0 0 0 0 0 13 CA C_ALI 0 0.0000 0.0380 1.6670 8.8280 9 14 96 97 0 14 N N_AMO 0 0.0000 0.3090 0.9800 7.5630 13 15 95 0 0 15 C17 C_BYL 0 0.0000 0.6470 1.6910 6.4690 14 16 17 0 0 16 O17 O_BYL 0 0.0000 0.7270 2.9030 6.5320 15 0 0 0 0 17 C14 C_ARO 0 0.0000 0.9200 0.9990 5.1940 15 18 22 0 0 18 C13 C_ARO 0 0.0000 1.2710 1.7350 4.0590 17 19 21 0 0 19 C12 C_ARO 0 0.0000 1.5260 1.0870 2.8720 18 20 24 0 0 20 H12 H_ALI 0 0.0000 1.7970 1.6550 1.9940 19 0 0 0 93 21 H13 H_ALI 0 0.0000 1.3430 2.8110 4.1140 18 0 0 0 92 22 C15 C_ARO 0 0.0000 0.8290 -0.3930 5.1200 17 23 91 0 0 23 C16 C_ARO 0 0.0000 1.0800 -1.0350 3.9280 22 24 90 0 0 24 C11 C_ARO 0 0.0000 1.4350 -0.2990 2.8010 19 23 25 0 0 25 N10 N_AMO 0 0.0000 1.6930 -0.9520 1.5980 24 26 68 0 0 26 C42 C_BYL 0 0.0000 2.1890 -0.2640 0.5510 25 27 28 0 0 27 O42 O_BYL 0 0.0000 2.5260 0.8960 0.6900 26 0 0 0 0 28 C2P C_BYL 0 0.0000 2.3220 -0.9130 -0.7530 26 29 67 0 0 29 C3P C_BYL 0 0.0000 2.7240 -0.1960 -1.8270 28 30 66 0 0 30 C4P C_ARO 0 0.0000 2.7530 -0.8160 -3.1520 29 31 39 0 0 31 C5P C_ARO 0 0.0000 3.4390 -1.9730 -3.5210 30 32 33 0 0 32 N7 N_AMO 0 0.0000 3.1900 -2.1820 -4.8260 31 40 0 0 0 33 C6 C_BYL 0 0.0000 4.2750 -2.8130 -2.6430 31 34 35 0 0 34 O62 O_BYL 0 0.0000 4.4960 -2.4650 -1.4990 33 0 0 0 0 35 N1 N_AMO 0 0.0000 4.7940 -3.9660 -3.1090 33 36 37 0 0 36 HN11 H_AMI 0 0.0000 5.3440 -4.5190 -2.5310 35 0 0 0 38 37 HN12 H_AMI 0 0.0000 4.6140 -4.2460 -4.0200 35 0 0 0 38 38 Q3 PSEUD 0 0.0000 4.9790 -4.3825 -3.2755 0 0 0 0 0 39 N9 N_AMO 0 0.0000 2.1190 -0.3730 -4.2860 30 40 42 0 0 40 C8 C_ARO 0 0.0000 2.4110 -1.2390 -5.2780 32 39 41 0 0 41 H8 H_ALI 0 0.0000 2.0550 -1.1620 -6.2950 40 0 0 0 0 42 C1 C_ALI 0 0.0000 1.2730 0.8170 -4.3960 39 43 57 65 0 43 O1 O_EST 0 0.0000 0.3040 0.6490 -5.4530 42 44 0 0 0 44 C4 C_ALI 0 0.0000 -0.1120 1.9870 -5.8040 43 45 56 58 0 45 C5 C_ALI 0 0.0000 -0.7260 2.0040 -7.2050 44 46 53 54 0 46 O6 O_EST 0 0.0000 -1.8820 1.1660 -7.2280 45 47 0 0 0 47 P P_ALI 0 0.0000 -2.4740 1.2300 -8.7240 46 48 49 51 0 48 O9 O_XXX 0 0.0000 -1.4540 0.7450 -9.6800 47 0 0 0 0 49 O8 O_HYD 0 0.0000 -3.7860 0.3030 -8.8230 47 50 0 0 0 50 HO8 H_OXY 0 0.0000 -4.1080 0.3700 -9.7330 49 0 0 0 0 51 O7 O_HYD 0 0.0000 -2.8630 2.7510 -9.0820 47 52 0 0 0 52 HO7 H_OXY 0 0.0000 -3.5290 3.0280 -8.4380 51 0 0 0 0 53 H51 H_ALI 0 0.0000 -1.0110 3.0240 -7.4640 45 0 0 0 55 54 H52 H_ALI 0 0.0000 0.0040 1.6360 -7.9260 45 0 0 0 55 55 Q4 PSEUD 0 0.0000 -0.5035 2.3300 -7.6950 0 0 0 0 0 56 H4 H_ALI 0 0.0000 -0.8260 2.3660 -5.0730 44 0 0 0 0 57 C2 C_ALI 0 0.0000 2.1180 2.0390 -4.8220 42 58 62 64 0 58 C3 C_ALI 0 0.0000 1.1850 2.8250 -5.7720 44 57 59 61 0 59 O3 O_HYD 0 0.0000 0.9250 4.1310 -5.2520 58 60 0 0 0 60 HO3 H_OXY 0 0.0000 1.7670 4.6060 -5.2570 59 0 0 0 0 61 H3 H_ALI 0 0.0000 1.6210 2.8920 -6.7690 58 0 0 0 0 62 O2 O_HYD 0 0.0000 2.4650 2.8360 -3.6880 57 63 0 0 0 63 HO2 H_OXY 0 0.0000 2.9360 3.6100 -4.0240 62 0 0 0 0 64 H2 H_ALI 0 0.0000 3.0160 1.7150 -5.3490 57 0 0 0 0 65 H1 H_ALI 0 0.0000 0.7720 1.0150 -3.4490 42 0 0 0 0 66 H3P H_ALI 0 0.0000 3.0230 0.8340 -1.7070 29 0 0 0 0 67 H2P H_ALI 0 0.0000 2.0990 -1.9650 -0.8580 28 0 0 0 0 68 C9 C_ALI 0 0.0000 1.4250 -2.3870 1.4720 25 69 87 88 0 69 C6F C_ARO 0 0.0000 0.0510 -2.5920 0.8890 68 70 81 0 0 70 N5F N_AMO 0 0.0000 -0.6450 -1.5470 0.5030 69 71 0 0 0 71 C4A C_ARO 0 0.0000 -1.8560 -1.6830 -0.0190 70 72 83 0 0 72 C4F C_ARO 0 0.0000 -2.6440 -0.5190 -0.4610 71 73 80 0 0 73 N3F N_AMO 0 0.0000 -3.8720 -0.7530 -0.9770 72 74 79 0 0 74 C2F C_ARO 0 0.0000 -4.3520 -2.0260 -1.0800 73 75 84 0 0 75 N2F N_AMO 0 0.0000 -5.6030 -2.2150 -1.6110 74 76 77 0 0 76 H2F1 H_AMI 0 0.0000 -5.9650 -3.1110 -1.6930 75 0 0 0 78 77 H2F2 H_AMI 0 0.0000 -6.1250 -1.4510 -1.9030 75 0 0 0 78 78 Q5 PSEUD 0 0.0000 -6.0450 -2.2810 -1.7980 0 0 0 0 0 79 H3F H_AMI 0 0.0000 -4.4170 -0.0090 -1.2780 73 0 0 0 0 80 O4F O_BYL 0 0.0000 -2.2060 0.6110 -0.3650 72 0 0 0 0 81 C7F C_ARO 0 0.0000 -0.4540 -3.8830 0.7770 69 82 86 0 0 82 C8F C_ARO 0 0.0000 -1.7010 -4.0850 0.2500 81 83 85 0 0 83 C8A C_ARO 0 0.0000 -2.4330 -2.9630 -0.1630 71 82 84 0 0 84 N1F N_AMO 0 0.0000 -3.6720 -3.0770 -0.6940 74 83 0 0 0 85 H8F H_ALI 0 0.0000 -2.1090 -5.0800 0.1550 82 0 0 0 0 86 H7F H_ALI 0 0.0000 0.1370 -4.7250 1.1050 81 0 0 0 0 87 H91 H_ALI 0 0.0000 1.4770 -2.8540 2.4550 68 0 0 0 89 88 H92 H_ALI 0 0.0000 2.1690 -2.8390 0.8150 68 0 0 0 89 89 Q6 PSEUD 0 0.0000 1.8230 -2.8465 1.6350 0 0 0 0 0 90 H16 H_ALI 0 0.0000 1.0090 -2.1110 3.8700 23 0 0 0 93 91 H15 H_ALI 0 0.0000 0.5580 -0.9640 5.9950 22 0 0 0 92 92 Q7 PSEUD 0 0.0000 0.9505 0.9235 5.0545 0 0 0 0 94 93 Q8 PSEUD 0 0.0000 1.4030 -0.2280 2.9320 0 0 0 0 94 94 QQA PSEUD 0 0.0000 1.1767 0.3478 3.9932 0 0 0 0 0 95 HN H_AMI 0 0.0000 0.2450 0.0130 7.5120 14 0 0 0 0 96 HA H_ALI 0 0.0000 -0.3620 2.6600 8.6240 13 0 0 0 0 97 C C_BYL 0 0.0000 1.3160 1.7930 9.6150 13 98 99 0 0 98 O O_BYL 0 0.0000 1.4750 2.7280 10.3640 97 0 0 0 0 99 OT O_HYD 0 0.0000 2.2790 0.8670 9.4840 97 100 0 0 0 100 HOT H_OXY 0 0.0000 3.1000 0.9480 9.9890 99 0 0 0 0