NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4277 0.0000 0.0000 62.8796 33.3875 174.4491 2 M 4.9426 8.4430 119.7927 52.8055 35.3401 172.9885 3 L 4.7653 9.7913 128.4215 53.5260 45.7915 174.1123 4 E 5.0539 8.9734 125.9649 54.6666 31.5820 175.4819 5 V 4.3505 8.7256 124.5178 60.9937 34.2802 174.1197 6 F 5.1877 8.9215 126.1854 56.0381 40.4696 173.9573 7 Y 4.6923 9.0282 125.7910 55.7271 41.5805 174.4395 8 S 4.6935 7.1636 119.7724 57.0181 64.4598 173.0155 9 G 4.0592 8.0873 113.2492 45.8032 0.0000 173.6143 10 D 4.5551 9.0141 118.9795 56.3169 40.7637 176.8799 11 R 4.4842 7.3449 115.7114 52.8715 29.9880 173.1195 12 P 4.1851 0.0000 0.0000 62.3006 31.4652 174.7074 13 P 4.1124 0.0000 0.0000 62.4653 31.4772 176.3628 14 D 4.5684 8.3923 121.8679 52.8846 41.3833 177.4142 15 R 3.9029 8.4148 118.4947 59.8422 30.0295 177.9570 16 T 4.1113 7.9002 116.4815 66.4343 68.4684 176.2900 17 R 3.9792 8.3033 119.4053 59.1736 30.0244 179.3576 18 K 4.1172 7.7756 117.0464 59.2007 31.7406 179.3916 19 Q 3.9622 8.4822 118.6019 58.9335 28.6744 178.6334 20 A 4.0641 7.9949 121.6225 55.3738 18.3982 179.5488 21 F 4.0647 8.3007 118.7858 61.0549 39.4900 176.9893 22 A 3.8221 8.5720 120.7558 55.3966 18.1956 179.5900 23 A 3.9064 7.9794 118.9199 55.0876 18.3532 179.6280 24 E 3.8107 8.2261 116.9470 59.5527 29.5926 179.3134 25 A 3.8737 7.7676 120.9935 55.3914 18.3505 179.9252 26 S 4.0956 8.1463 113.2687 61.7001 62.8228 176.8177 27 A 4.0293 8.1338 123.5077 55.0161 18.0061 179.8378 28 I 3.5843 8.1173 118.7660 64.6110 37.1687 178.5854 29 F 3.9277 8.2445 118.6169 60.4691 38.7105 177.5435 30 Q 4.2612 8.2723 120.4243 58.8135 28.7081 178.3948 31 R 3.8749 8.0643 118.6662 59.1969 30.1914 178.1639 32 V 3.8805 8.0007 117.5908 64.5609 31.8065 176.5677 33 I 4.3194 7.6973 108.3287 60.1609 37.8842 176.2174 34 G 3.8874 8.3400 108.5000 45.9894 0.0000 174.0735 35 T 3.8823 7.7991 117.1220 62.9776 68.9413 172.1719 36 P 4.4390 0.0000 0.0000 61.5851 32.1201 174.3776 37 P 4.6171 0.0000 0.0000 62.7521 31.9425 176.9368 38 G 3.8936 8.2423 109.7606 44.4403 0.0000 173.3941 39 R 4.1253 8.4995 125.4498 57.0697 30.9044 177.4109 40 L 3.7849 7.7674 120.0591 55.7355 42.6181 176.6690 41 Q 4.3131 9.0331 126.3300 54.8802 29.3525 174.0435 42 L 5.0433 8.2493 126.1901 53.3537 44.4243 175.9090 43 I 4.4712 8.5924 125.8784 60.0587 40.9845 173.8872 44 I 4.6497 8.3622 128.3043 59.6961 38.8280 175.3138 45 Q 4.5536 9.0759 126.2081 54.1038 31.4882 174.6343 46 I 4.6870 8.4646 125.4345 60.1331 38.2539 175.2290 47 V 4.4072 8.9255 129.0346 60.7949 32.6617 176.0383 48 S 4.3093 8.7081 122.8957 57.6727 63.8385 173.4066 49 P 4.3167 0.0000 0.0000 65.6988 31.2078 178.0362 50 E 4.1579 8.1745 113.9558 58.1015 29.6396 176.8618 51 N 4.8524 8.5242 117.1986 53.0836 38.7820 174.0597 52 T 4.7265 7.3807 109.1216 59.5914 71.7265 173.2484 53 L 3.9623 8.3842 121.0638 58.0899 42.4489 178.4962 54 A 4.2917 8.0214 120.5980 53.2594 18.2773 179.3955 55 V 3.8301 7.3904 115.8836 64.0654 31.9831 177.9467 56 I 3.7206 7.9380 120.9703 63.7332 36.9099 175.4827 57 D 4.5802 7.5034 119.1824 52.3387 41.9585 175.0476 58 L 4.2501 8.3423 124.6548 54.6905 41.8102 177.0343 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 P 0.00 4.43 0.00 1.80 2.25 0.00 3.48 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.89 0.00 2 M 8.44 4.94 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 3 L 9.79 4.77 0.00 1.63 1.48 1.20 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.97 5.05 0.00 1.94 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 5 V 8.73 4.35 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.97 0.00 0.00 6 F 8.92 5.19 0.00 2.92 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 9.03 4.69 0.00 3.04 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.16 4.69 0.00 3.76 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.09 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 9.01 4.56 0.00 2.69 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.34 4.48 0.00 1.99 1.95 0.00 3.23 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 12 P 0.00 4.19 0.00 2.18 2.17 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 13 P 0.00 4.11 0.00 2.03 1.82 0.00 3.46 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.42 0.00 14 D 8.39 4.57 0.00 2.95 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.41 3.90 0.00 1.89 1.95 0.00 3.21 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 16 T 7.90 4.11 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 17 R 8.30 3.98 0.00 1.93 1.92 0.00 3.02 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 18 K 7.78 4.12 0.00 2.01 1.88 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.41 7.81 19 Q 8.48 3.96 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 20 A 7.99 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.30 4.06 0.00 3.24 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.57 3.82 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.98 3.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.23 3.81 0.00 1.83 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.61 0.00 25 A 7.77 3.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.15 4.10 0.00 3.86 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.13 4.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.12 3.58 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.72 0.65 0.00 0.00 29 F 8.24 3.93 0.00 3.07 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.27 4.26 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 31 R 8.06 3.87 0.00 1.86 2.01 0.00 3.29 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 32 V 8.00 3.88 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.89 0.00 0.00 33 I 7.70 4.32 1.92 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.98 0.91 0.00 0.00 34 G 8.34 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.80 3.88 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 36 P 0.00 4.44 0.00 2.17 1.96 0.00 3.59 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 37 P 0.00 4.62 0.00 2.16 2.04 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 38 G 8.24 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.50 4.13 0.00 1.88 1.95 0.00 3.32 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 40 L 7.77 3.78 0.00 1.33 1.43 0.22 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 9.03 4.31 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 42 L 8.25 5.04 0.00 1.57 1.51 1.13 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.59 4.47 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.46 0.82 0.00 0.00 44 I 8.36 4.65 1.84 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.57 0.85 0.00 0.00 45 Q 9.08 4.55 0.00 1.75 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 1.89 1.59 0.00 46 I 8.46 4.69 1.91 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.80 1.00 0.00 0.00 47 V 8.93 4.41 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.11 0.00 0.00 48 S 8.71 4.31 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.32 0.00 2.19 2.14 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 50 E 8.17 4.16 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 51 N 8.52 4.85 0.00 2.83 2.86 0.00 0.00 6.72 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.38 4.73 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 53 L 8.38 3.96 0.00 1.63 1.68 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.02 4.29 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.39 3.83 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.94 0.00 0.00 56 I 7.94 3.72 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.52 0.90 0.00 0.00 57 D 7.50 4.58 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.34 4.25 0.00 1.67 1.55 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00