REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide RESIDUE Y11 24 79 1 79 1 CHI1 0 0 0.0000 2 1 3 4 20 2 CHI2 0 0 0.0000 1 3 4 5 11 3 CHI3 0 0 0.0000 3 4 5 6 8 4 CHI4 0 0 0.0000 1 3 12 13 20 5 CHI5 0 0 0.0000 3 12 13 14 17 6 PHI1 0 0 0.0000 2 1 21 23 0 7 PHI2 0 0 0.0000 1 21 23 51 0 8 CHI6 0 0 0.0000 21 23 24 25 49 9 CHI7 0 0 0.0000 23 24 25 26 46 10 CHI8 0 0 0.0000 24 25 26 27 33 11 CHI9 0 0 0.0000 25 26 27 28 30 12 CHI10 0 0 0.0000 24 25 34 35 45 13 CHI11 0 0 0.0000 25 34 35 36 42 14 CHI12 0 0 0.0000 34 35 36 37 39 15 PHI3 0 0 0.0000 21 23 51 53 0 16 PHI4 0 0 0.0000 23 51 53 55 0 17 PHI5 0 0 0.0000 51 53 55 78 0 18 CHI13 0 0 0.0000 53 55 56 57 63 19 CHI14 0 0 0.0000 55 56 57 58 60 20 CHI15 0 0 0.0000 53 55 64 65 77 21 CHI16 0 0 0.0000 55 64 65 66 74 22 CHI17 0 0 0.0000 64 65 66 67 71 23 CHI18 0 0 0.0000 65 66 67 68 71 24 CHI19 0 0 0.0000 53 55 78 79 79 1 C01 C_BYL 0 0.0000 2.0940 0.6660 -0.8240 2 3 21 0 0 2 O06 O_BYL 0 0.0000 2.1370 -0.3340 -1.5150 1 0 0 0 0 3 N08 N_AMO 0 0.0000 3.1330 1.5240 -0.8170 1 4 12 0 0 4 C02 C_ALI 0 0.0000 4.3720 1.2210 -1.5510 3 5 9 10 0 5 C03 C_ALI 0 0.0000 5.5580 1.4140 -0.5980 4 6 7 14 0 6 H031 H_ALI 0 0.0000 5.5270 0.6510 0.1800 5 0 0 0 8 7 H032 H_ALI 0 0.0000 6.4900 1.3270 -1.1560 5 0 0 0 8 8 Q1 PSEUD 0 0.0000 6.0085 0.9890 -0.4880 0 0 0 0 0 9 H021 H_ALI 0 0.0000 4.4700 1.8960 -2.4010 4 0 0 0 11 10 H022 H_ALI 0 0.0000 4.3480 0.1890 -1.9020 4 0 0 0 11 11 Q2 PSEUD 0 0.0000 4.4090 1.0425 -2.1515 0 0 0 0 0 12 C05 C_ALI 0 0.0000 3.0620 2.7930 -0.0760 3 13 18 19 0 13 C04 C_ALI 0 0.0000 4.3120 2.9100 0.8050 12 14 15 16 0 14 O07 O_EST 0 0.0000 5.4750 2.7100 -0.0010 5 13 0 0 0 15 H041 H_ALI 0 0.0000 4.3470 3.9010 1.2570 13 0 0 0 17 16 H042 H_ALI 0 0.0000 4.2770 2.1530 1.5890 13 0 0 0 17 17 Q3 PSEUD 0 0.0000 4.3120 3.0270 1.4230 0 0 0 0 0 18 H051 H_ALI 0 0.0000 2.1700 2.8030 0.5500 12 0 0 0 20 19 H052 H_ALI 0 0.0000 3.0280 3.6270 -0.7770 12 0 0 0 20 20 Q4 PSEUD 0 0.0000 2.5990 3.2150 -0.1135 0 0 0 0 0 21 N09 N_AMI 0 0.0000 1.0060 0.9190 -0.0700 1 22 23 0 0 22 HN09 H_AMI 0 0.0000 0.9380 1.7540 0.4180 21 0 0 0 0 23 C10 C_ALI 0 0.0000 -0.0730 -0.0690 0.0120 21 24 50 51 0 24 C11 C_ALI 0 0.0000 0.2580 -1.0970 1.0950 23 25 47 48 0 25 C12 C_ALI 0 0.0000 1.5000 -1.8900 0.6840 24 26 34 46 0 26 C13 C_ALI 0 0.0000 1.9040 -2.8310 1.8200 25 27 31 32 0 27 C14 C_ALI 0 0.0000 3.1470 -3.6230 1.4080 26 28 29 36 0 28 H141 H_ALI 0 0.0000 3.9650 -2.9340 1.2000 27 0 0 0 30 29 H142 H_ALI 0 0.0000 3.4350 -4.2940 2.2180 27 0 0 0 30 30 Q5 PSEUD 0 0.0000 3.7000 -3.6140 1.7090 0 0 0 0 0 31 H131 H_ALI 0 0.0000 2.1250 -2.2470 2.7140 26 0 0 0 33 32 H132 H_ALI 0 0.0000 1.0870 -3.5200 2.0290 26 0 0 0 33 33 Q6 PSEUD 0 0.0000 1.6060 -2.8835 2.3715 0 0 0 0 0 34 C17 C_ALI 0 0.0000 1.1910 -2.7080 -0.5710 25 35 43 44 0 35 C16 C_ALI 0 0.0000 2.4330 -3.5010 -0.9830 34 36 40 41 0 36 C15 C_ALI 0 0.0000 2.8370 -4.4420 0.1540 27 35 37 38 0 37 H151 H_ALI 0 0.0000 3.7220 -5.0060 -0.1400 36 0 0 0 39 38 H152 H_ALI 0 0.0000 2.0190 -5.1310 0.3630 36 0 0 0 39 39 Q7 PSEUD 0 0.0000 2.8705 -5.0685 0.1115 0 0 0 0 0 40 H161 H_ALI 0 0.0000 3.2510 -2.8110 -1.1920 35 0 0 0 42 41 H162 H_ALI 0 0.0000 2.2120 -4.0840 -1.8770 35 0 0 0 42 42 Q8 PSEUD 0 0.0000 2.7315 -3.4475 -1.5345 0 0 0 0 0 43 H171 H_ALI 0 0.0000 0.3730 -3.3980 -0.3620 34 0 0 0 45 44 H172 H_ALI 0 0.0000 0.9020 -2.0380 -1.3810 34 0 0 0 45 45 Q9 PSEUD 0 0.0000 0.6375 -2.7180 -0.8715 0 0 0 0 0 46 H12 H_ALI 0 0.0000 2.3180 -1.2000 0.4750 25 0 0 0 0 47 H111 H_ALI 0 0.0000 0.4500 -0.5840 2.0370 24 0 0 0 49 48 H112 H_ALI 0 0.0000 -0.5840 -1.7790 1.2180 24 0 0 0 49 49 Q10 PSEUD 0 0.0000 -0.0670 -1.1815 1.6275 0 0 0 0 0 50 H10 H_ALI 0 0.0000 -0.1780 -0.5730 -0.9480 23 0 0 0 0 51 C18 C_BYL 0 0.0000 -1.3650 0.6270 0.3570 23 52 53 0 0 52 O19 O_BYL 0 0.0000 -1.3820 1.8290 0.5190 51 0 0 0 0 53 N20 N_AMI 0 0.0000 -2.5010 -0.0870 0.4870 51 54 55 0 0 54 HN20 H_AMI 0 0.0000 -2.4870 -1.0480 0.3570 53 0 0 0 0 55 C29 C_ALI 0 0.0000 -3.7560 0.5890 0.8220 53 56 64 78 0 56 C21 C_ALI 0 0.0000 -4.0930 1.6140 -0.2650 55 57 61 62 0 57 C22 C_ALI 0 0.0000 -4.2970 0.8880 -1.5970 56 58 59 66 0 58 H221 H_ALI 0 0.0000 -4.5510 1.6130 -2.3700 57 0 0 0 60 59 H222 H_ALI 0 0.0000 -3.3790 0.3690 -1.8720 57 0 0 0 60 60 Q11 PSEUD 0 0.0000 -3.9650 0.9910 -2.1210 0 0 0 0 0 61 H211 H_ALI 0 0.0000 -3.2730 2.3260 -0.3600 56 0 0 0 63 62 H212 H_ALI 0 0.0000 -5.0060 2.1440 0.0040 56 0 0 0 63 63 Q12 PSEUD 0 0.0000 -4.1395 2.2350 -0.1780 0 0 0 0 0 64 C24 C_ALI 0 0.0000 -4.8850 -0.4410 0.9090 55 65 75 76 0 65 C23 C_ALI 0 0.0000 -5.0670 -1.1070 -0.4570 64 66 72 73 0 66 N25 N_AMO 0 0.0000 -5.3880 -0.0860 -1.4620 57 65 67 0 0 67 C26 C_ALI 0 0.0000 -5.7050 -0.7030 -2.7570 66 68 69 70 0 68 H261 H_ALI 0 0.0000 -6.5640 -1.3650 -2.6440 67 0 0 0 71 69 H262 H_ALI 0 0.0000 -5.9380 0.0750 -3.4830 67 0 0 0 71 70 H263 H_ALI 0 0.0000 -4.8470 -1.2790 -3.1050 67 0 0 0 71 71 Q13 PSEUD 0 0.0000 -5.7830 -0.8563 -3.0773 0 0 0 0 0 72 H231 H_ALI 0 0.0000 -4.1450 -1.6170 -0.7380 65 0 0 0 74 73 H232 H_ALI 0 0.0000 -5.8800 -1.8320 -0.4030 65 0 0 0 74 74 Q14 PSEUD 0 0.0000 -5.0125 -1.7245 -0.5705 0 0 0 0 0 75 H241 H_ALI 0 0.0000 -5.8110 0.0560 1.1970 64 0 0 0 77 76 H242 H_ALI 0 0.0000 -4.6320 -1.1970 1.6520 64 0 0 0 77 77 Q15 PSEUD 0 0.0000 -5.2215 -0.5705 1.4245 0 0 0 0 0 78 C27 C_XXX 0 0.0000 -3.6150 1.2740 2.1180 55 79 0 0 0 79 N28 N_AMO 0 0.0000 -3.5060 1.8020 3.1180 78 0 0 0 0