REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = 2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide RESIDUE GS2 6 72 1 72 1 PHI1 0 0 0.0000 2 1 6 8 0 2 PHI2 0 0 0.0000 1 6 8 10 0 3 PHI3 0 0 0.0000 6 8 10 19 0 4 CHI1 0 0 0.0000 24 25 26 27 62 5 CHI2 0 0 0.0000 34 35 36 37 40 6 CHI3 0 0 0.0000 51 57 58 59 62 1 C1 C_ALI 0 0.0000 -7.0110 1.9270 -2.3530 2 3 4 6 0 2 H1 H_ALI 0 0.0000 -7.0530 1.6200 -3.3980 1 0 0 0 5 3 H1A H_ALI 0 0.0000 -8.0230 2.0770 -1.9760 1 0 0 0 5 4 H1B H_ALI 0 0.0000 -6.4510 2.8580 -2.2700 1 0 0 0 5 5 Q1 PSEUD 0 0.0000 -7.1757 2.1850 -2.5480 0 0 0 0 0 6 N1 N_AMI 0 0.0000 -6.3450 0.8860 -1.5650 1 7 8 0 0 7 HN1 H_AMI 0 0.0000 -6.0260 0.0790 -1.9980 6 0 0 0 0 8 C2 C_BYL 0 0.0000 -6.1780 1.0490 -0.2370 6 9 10 0 0 9 O1 O_BYL 0 0.0000 -6.5800 2.0610 0.3060 8 0 0 0 0 10 C3 C_ARO 0 0.0000 -5.5100 0.0030 0.5550 8 11 19 0 0 11 C4 C_ARO 0 0.0000 -6.2580 -1.0280 1.1340 10 12 13 0 0 12 F1 X_XXX 0 0.0000 -7.5980 -1.0680 0.9680 11 0 0 0 0 13 C5 C_ARO 0 0.0000 -5.6220 -2.0060 1.8750 11 14 18 0 0 14 C6 C_ARO 0 0.0000 -4.2500 -1.9710 2.0480 13 15 17 0 0 15 C7 C_ARO 0 0.0000 -3.4990 -0.9590 1.4830 14 16 19 0 0 16 H7 H_ALI 0 0.0000 -2.4280 -0.9390 1.6240 15 0 0 0 0 17 H6 H_ALI 0 0.0000 -3.7620 -2.7390 2.6290 14 0 0 0 0 18 H5 H_ALI 0 0.0000 -6.2000 -2.8020 2.3220 13 0 0 0 0 19 C8 C_ARO 0 0.0000 -4.1170 0.0300 0.7300 10 15 20 0 0 20 N2 N_AMI 0 0.0000 -3.3600 1.0460 0.1560 19 21 22 0 0 21 HN2 H_AMI 0 0.0000 -3.7730 1.8980 -0.0550 20 0 0 0 0 22 C9 C_ARO 0 0.0000 -2.0180 0.8410 -0.1160 20 23 68 0 0 23 N3 N_AMO 0 0.0000 -1.4660 -0.3560 0.0490 22 24 0 0 0 24 C10 C_ARO 0 0.0000 -0.1800 -0.5570 -0.2100 23 25 64 0 0 25 N4 N_AMO 0 0.0000 0.3480 -1.8250 -0.0230 24 26 63 0 0 26 C11 C_ARO 0 0.0000 1.7240 -2.0380 -0.1650 25 27 51 0 0 27 C12 C_ARO 0 0.0000 2.6060 -0.9900 0.0280 26 28 50 0 0 28 C13 C_ARO 0 0.0000 3.9720 -1.1980 -0.1130 27 29 53 0 0 29 N5 N_AMO 0 0.0000 5.0760 -0.3710 0.0120 28 30 32 0 0 30 C14 C_ARO 0 0.0000 6.2230 -1.0900 -0.2360 29 31 54 0 0 31 H14 H_ALI 0 0.0000 7.2260 -0.6890 -0.2070 30 0 0 0 0 32 C20 C_BYL 0 0.0000 5.0340 0.9390 0.3280 29 33 34 0 0 33 O3 O_BYL 0 0.0000 3.9680 1.4800 0.5280 32 0 0 0 0 34 C21 C_ALI 0 0.0000 6.3120 1.7300 0.4330 32 35 47 48 0 35 N6 N_AMO 0 0.0000 5.9990 3.1220 0.7860 34 36 41 0 0 36 C22 C_ALI 0 0.0000 5.4240 3.2050 2.1350 35 37 38 39 0 37 H22 H_ALI 0 0.0000 6.1380 2.8130 2.8590 36 0 0 0 40 38 H22A H_ALI 0 0.0000 5.2010 4.2460 2.3710 36 0 0 0 40 39 H22B H_ALI 0 0.0000 4.5060 2.6190 2.1760 36 0 0 0 40 40 Q2 PSEUD 0 0.0000 5.2817 3.2260 2.4687 0 0 0 0 46 41 C23 C_ALI 0 0.0000 7.1880 3.9760 0.6660 35 42 43 44 0 42 H23 H_ALI 0 0.0000 7.5520 3.9500 -0.3610 41 0 0 0 45 43 H23A H_ALI 0 0.0000 6.9280 5.0000 0.9330 41 0 0 0 45 44 H23B H_ALI 0 0.0000 7.9660 3.6120 1.3370 41 0 0 0 45 45 Q3 PSEUD 0 0.0000 7.4820 4.1873 0.6363 0 0 0 0 46 46 QQA PSEUD 0 0.0000 6.3818 3.7067 1.5525 0 0 0 0 0 47 H21 H_ALI 0 0.0000 6.9470 1.2940 1.2030 34 0 0 0 49 48 H21A H_ALI 0 0.0000 6.8330 1.7070 -0.5240 34 0 0 0 49 49 Q4 PSEUD 0 0.0000 6.8900 1.5005 0.3395 0 0 0 0 0 50 H12 H_ALI 0 0.0000 2.2330 -0.0100 0.2870 27 0 0 0 0 51 C18 C_ARO 0 0.0000 2.1990 -3.3110 -0.4960 26 52 57 0 0 52 C17 C_ARO 0 0.0000 3.5530 -3.5290 -0.6430 51 53 56 0 0 53 C16 C_ARO 0 0.0000 4.4500 -2.4760 -0.4500 28 52 54 0 0 54 C15 C_ARO 0 0.0000 5.9110 -2.3610 -0.5200 30 53 55 0 0 55 H15 H_ALI 0 0.0000 6.6050 -3.1540 -0.7570 54 0 0 0 0 56 H17 H_ALI 0 0.0000 3.9190 -4.5110 -0.9040 52 0 0 0 0 57 O2 O_EST 0 0.0000 1.3230 -4.3350 -0.6780 51 58 0 0 0 58 C19 C_ALI 0 0.0000 1.8750 -5.6090 -1.0150 57 59 60 61 0 59 H19 H_ALI 0 0.0000 2.5460 -5.9360 -0.2200 58 0 0 0 62 60 H19A H_ALI 0 0.0000 1.0710 -6.3350 -1.1310 58 0 0 0 62 61 H19B H_ALI 0 0.0000 2.4310 -5.5290 -1.9490 58 0 0 0 62 62 Q5 PSEUD 0 0.0000 2.0160 -5.9333 -1.1000 0 0 0 0 0 63 HN4 H_AMI 0 0.0000 -0.2360 -2.5640 0.2080 25 0 0 0 0 64 N7 N_AMO 0 0.0000 0.6170 0.4060 -0.6410 24 65 0 0 0 65 C24 C_ARO 0 0.0000 0.1500 1.6380 -0.8350 64 66 68 0 0 66 N8 N_AMO 0 0.0000 0.7060 2.8130 -1.2600 65 67 70 0 0 67 HN8 H_AMI 0 0.0000 1.6360 2.9300 -1.5120 66 0 0 0 0 68 C27 C_ARO 0 0.0000 -1.2100 1.8920 -0.5770 22 65 69 0 0 69 C26 C_ARO 0 0.0000 -1.4240 3.3090 -0.8710 68 70 72 0 0 70 C25 C_ARO 0 0.0000 -0.2440 3.8040 -1.2770 66 69 71 0 0 71 H25 H_ALI 0 0.0000 -0.0690 4.8270 -1.5730 70 0 0 0 0 72 H26 H_ALI 0 0.0000 -2.3530 3.8510 -0.7820 69 0 0 0 0