NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8821 8.3544 109.7340 45.7712 0.0000 174.5134 2 S 4.1935 9.1503 116.1496 59.8988 63.3008 172.4252 3 S 4.1153 8.4309 115.5480 61.2730 63.5264 174.8015 4 G 3.9119 7.7808 110.6964 44.4036 0.0000 173.1328 5 S 4.5489 8.3344 125.6019 58.6963 63.3184 174.5892 6 S 4.8112 7.5831 113.0617 56.7202 65.8340 172.9823 7 G 3.9621 7.8517 107.0657 44.9484 0.0000 172.8035 8 C 4.6039 8.6838 121.5653 57.7366 32.7763 174.1462 9 Q 4.0133 7.4415 120.8774 57.0010 29.2209 176.5936 10 E 4.0646 7.5472 118.1365 58.3349 30.1204 176.1561 11 C 4.4450 7.9266 112.9608 57.2637 30.5580 174.0527 12 K 4.5397 7.3223 117.1517 57.0894 29.4200 173.7848 13 K 4.6630 7.4027 117.1289 54.6015 36.2290 177.1291 14 T 4.3626 8.3285 118.4909 63.4153 68.7422 175.0565 15 I 4.0312 8.2366 128.8599 60.6274 37.2188 176.3963 16 M 4.1903 8.7270 127.6269 54.7167 32.3862 176.0582 17 P 4.2507 0.0000 0.0000 64.6024 32.0241 177.9332 18 G 3.6589 7.5813 108.3145 48.5549 0.0000 174.6362 19 T 4.1632 7.5595 112.9471 61.2696 68.3865 173.4702 20 R 4.5616 8.0763 124.1993 55.5135 31.5197 175.9115 21 K 5.0053 8.4404 120.4637 55.5447 36.6020 175.6408 22 M 4.3781 8.9861 121.4845 53.7253 33.5658 175.1393 23 E 4.7830 8.6949 124.5476 55.7196 30.3333 176.2242 24 Y 4.3992 9.4337 126.3530 56.4718 40.9648 175.1014 25 K 3.6247 9.4228 128.7205 57.6849 29.3716 176.2272 26 G 4.2921 8.5789 109.0657 45.7773 0.0000 174.7427 27 S 4.4031 7.6264 114.3424 58.2340 64.4475 173.7671 28 S 5.3676 7.7151 115.7898 56.7966 67.4783 173.2669 29 W 5.2283 8.9168 121.2714 55.0243 33.2929 174.4587 30 H 4.4167 9.3446 121.4400 56.4614 28.6842 175.9840 31 E 3.9335 8.6741 121.1747 59.7339 29.5071 178.5690 32 T 4.3173 8.2155 109.4330 63.7931 69.9248 176.5185 33 C 3.9325 8.2924 119.3024 62.0361 28.2478 174.4392 34 F 4.3862 8.2987 120.6575 57.9613 38.5207 175.0496 35 I 3.7415 7.5526 113.8318 60.4085 37.6372 174.6133 36 C 4.1809 8.5240 120.7237 59.3845 31.8982 173.2809 37 H 4.4089 7.7226 118.5277 55.6765 29.1135 175.6736 38 R 4.5159 7.8898 117.7249 57.8286 31.4080 176.3622 39 C 4.3554 8.0424 108.9462 57.6535 30.6319 172.9452 40 Q 4.0393 7.7523 117.6146 56.5456 25.9598 173.1905 41 Q 4.6822 7.5152 114.7136 53.1943 31.8380 174.4179 42 P 4.6292 0.0000 0.0000 62.2774 29.4336 175.9690 43 I 3.7817 8.0852 127.1447 65.2399 38.6934 178.0425 44 G 3.9255 8.0813 107.6850 46.6208 0.0000 176.6881 45 T 4.4547 8.4509 113.0100 58.6344 68.2040 172.5151 46 K 4.3547 7.9699 127.5290 56.1683 35.2792 175.2154 47 S 4.2192 8.6971 113.9589 58.9898 61.5146 172.8214 48 F 5.0281 8.2829 121.2559 55.2449 41.3794 174.3894 49 I 3.8576 8.5735 123.0601 58.8389 38.0237 173.2289 50 P 4.6222 0.0000 0.0000 62.4305 31.7623 176.4267 51 K 4.2480 9.0202 126.6240 55.5301 32.7612 176.6633 52 D 4.3155 7.8452 121.6319 57.1007 41.1727 178.2605 53 N 4.9168 7.7277 115.6381 52.0924 38.0704 173.5580 54 Q 4.1278 7.5266 117.3729 56.0092 34.2811 172.8344 55 N 5.0854 7.4667 115.5471 51.9654 42.8676 174.0719 56 F 5.1218 8.9316 120.9466 55.8238 43.8611 175.1229 57 C 4.9976 8.8257 120.6187 59.4783 29.4796 174.6573 58 V 3.6701 8.5816 118.8212 66.1737 30.8770 176.3358 59 P 4.3794 0.0000 0.0000 65.6355 31.3866 177.9699 60 C 4.3240 8.0723 116.2846 62.7712 28.3829 174.7872 61 Y 4.0722 8.4950 121.4000 61.0180 38.1030 177.8443 62 E 3.7243 8.1598 118.9695 59.7343 29.3910 179.6957 63 K 3.8576 7.5276 116.7389 59.6070 32.1450 179.0755 64 Q 3.9729 7.8220 117.7077 57.9289 28.9860 177.2895 65 H 4.7578 7.3574 114.2089 55.1213 28.9500 173.7401 66 A 4.4970 7.1955 120.3896 50.9360 22.0651 175.5949 67 S 3.9540 7.9439 115.5317 58.8718 61.6811 174.0157 68 G 4.3254 7.7769 113.2505 44.6417 0.0000 170.2776 69 P 4.2229 0.0000 0.0000 64.4700 32.0298 177.4830 70 S 4.4738 7.3298 116.2868 57.8166 63.1847 174.1159 71 S 4.3991 7.8933 120.3561 56.8048 66.5586 175.0403 72 G 3.4467 8.9466 113.7609 45.4193 0.0000 172.3158 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 G 8.35 3.88 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 2 S 9.15 4.19 0.00 3.91 3.87 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 3 S 8.43 4.12 0.00 3.89 3.93 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 0.00 0.00 0.00 4 G 7.78 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 0.00 0.00 0.00 5 S 8.33 4.55 0.00 3.86 3.87 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 6 S 7.58 4.81 0.00 3.87 3.77 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 7 G 7.85 3.96 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 0.00 0.00 0.00 8 C 8.68 4.60 0.00 2.70 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 9 Q 7.44 4.01 0.00 0.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 1.59 1.35 0.00 10 E 7.55 4.06 0.00 2.25 2.01 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 2.39 2.35 0.00 11 C 7.93 4.45 0.00 3.12 3.01 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 12 K 7.32 4.54 0.00 1.82 1.89 0.00 1.72 0.00 0.00 2.46 0.00 0.00 3.12 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.33 7.81 13 K 7.40 4.66 0.00 1.75 1.71 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.54 7.81 14 T 8.33 4.36 4.24 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 1.24 0.00 0.00 15 I 8.24 4.03 1.77 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.51 0.81 0.00 0.00 16 M 8.73 4.19 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.49 0.00 17 P 0.00 4.25 0.00 2.17 2.16 0.00 3.75 0.00 0.00 3.65 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 18 G 7.58 3.66 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 19 T 7.56 4.16 4.26 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 1.34 0.00 0.00 20 R 8.08 4.56 0.00 1.78 1.80 0.00 3.27 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 21 K 8.44 5.01 0.00 1.66 1.68 0.00 1.49 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.43 7.81 22 M 8.99 4.38 0.00 1.20 1.83 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 2.30 0.00 23 E 8.69 4.78 0.00 1.88 1.95 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 2.32 2.31 0.00 24 Y 9.43 4.40 0.00 3.06 3.02 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 25 K 9.42 3.62 0.00 2.36 2.09 0.00 2.28 0.00 0.00 1.92 0.00 0.00 3.03 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.44 1.48 7.81 26 G 8.58 4.29 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 27 S 7.63 4.40 0.00 4.01 3.06 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 28 S 7.72 5.37 0.00 3.80 3.62 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 29 W 8.92 5.23 0.00 3.49 3.12 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 H 9.34 4.42 0.00 3.23 3.30 0.00 5.86 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.67 3.93 0.00 2.00 2.34 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 2.37 2.35 0.00 32 T 8.22 4.32 4.26 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 1.23 0.00 0.00 33 C 8.29 3.93 0.00 3.31 3.33 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 34 F 8.30 4.39 0.00 3.01 2.99 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 I 7.55 3.74 1.73 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.66 0.93 0.00 0.00 36 C 8.52 4.18 0.00 2.96 2.87 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 37 H 7.72 4.41 0.00 1.43 2.94 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.89 4.52 0.00 2.16 2.06 0.00 3.35 0.00 0.00 3.38 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 39 C 8.04 4.36 0.00 3.12 3.05 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 40 Q 7.75 4.04 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 41 Q 7.52 4.68 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 7.12 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 42 P 0.00 4.63 0.00 2.18 2.10 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 43 I 8.09 3.78 1.70 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.62 0.79 0.00 0.00 44 G 8.08 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.45 4.45 4.26 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 1.19 0.00 0.00 46 K 7.97 4.35 0.00 1.91 1.85 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.51 7.81 47 S 8.70 4.22 0.00 3.90 3.96 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 48 F 8.28 5.03 0.00 3.08 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.57 3.86 1.31 0.00 0.00 0.94 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 0.85 -0.44 0.00 0.00 50 P 0.00 4.62 0.00 2.23 2.30 0.00 3.29 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.80 0.00 51 K 9.02 4.25 0.00 2.13 1.85 0.00 1.70 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.51 7.81 52 D 7.85 4.32 0.00 2.73 2.68 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 53 N 7.73 4.92 0.00 2.76 2.86 0.00 0.00 5.83 7.41 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 54 Q 7.53 4.13 0.00 2.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.93 6.96 0.00 0.00 0.00 0.00 0.00 1.98 2.25 0.00 55 N 7.47 5.09 0.00 1.85 2.11 0.00 0.00 5.73 7.06 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 56 F 8.93 5.12 0.00 3.22 3.13 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 0.00 0.00 0.00 0.00 57 C 8.83 5.00 0.00 3.10 3.00 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 58 V 8.58 3.67 2.16 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 1.24 0.00 0.00 1.05 0.00 0.00 59 P 0.00 4.38 0.00 2.31 2.21 0.00 3.80 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 2.05 2.10 0.00 60 C 8.07 4.32 0.00 3.32 3.29 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 61 Y 8.49 4.07 0.00 3.37 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.16 3.72 0.00 2.08 1.94 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 2.55 2.61 0.00 63 K 7.53 3.86 0.00 1.85 1.82 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.58 7.81 64 Q 7.82 3.97 0.00 1.68 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.32 0.00 0.00 0.00 0.00 0.00 2.03 1.63 0.00 65 H 7.36 4.76 0.00 3.01 2.91 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.20 4.50 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.94 3.95 0.00 3.80 3.82 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 68 G 7.78 4.33 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 69 P 0.00 4.22 0.00 2.17 2.16 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 70 S 7.33 4.47 0.00 3.99 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.89 4.40 0.00 3.78 3.70 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 72 G 8.95 3.45 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