NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 34 S 4.3817 8.1933 116.7898 58.3314 65.1874 174.5740 35 S 4.1272 7.8231 116.0422 58.1823 63.0156 174.3695 36 G 3.6965 7.5390 110.8862 47.9214 0.0000 176.0172 37 R 3.9807 7.6304 115.3360 58.4143 29.9452 177.3491 38 F 4.9407 8.2219 117.0107 57.2692 40.2443 176.8068 39 G 3.6863 7.6313 109.2673 47.0802 0.0000 174.3771 40 A 4.4079 8.6015 128.3521 52.1577 18.7578 177.3299 41 R 4.0576 7.3461 116.5037 56.9629 31.3692 176.4683 42 Y 3.9429 8.0630 116.8210 57.3942 36.3417 170.9586 43 G 4.0415 7.9375 103.4781 45.2095 0.0000 173.8655 44 R 3.9223 8.3343 116.9363 59.2699 29.9142 179.1215 45 V 3.5763 7.7939 116.8823 66.4875 31.5456 178.0631 46 S 4.1079 8.1164 114.0981 61.8663 62.8137 176.9322 47 R 4.2810 7.8028 117.2159 58.6619 29.3447 178.7516 48 R 3.9084 8.4470 120.5101 59.6101 30.1677 178.7055 49 R 3.9391 8.2066 117.8723 59.0061 29.9512 179.2464 50 V 3.5896 7.8266 118.1335 65.5865 31.4285 178.0289 51 A 3.9467 8.1579 120.5627 55.2094 18.3712 179.2894 52 E 3.9091 8.2977 117.1382 59.6968 29.6052 179.8335 53 I 3.6808 7.7531 119.4457 64.6284 37.2763 178.5454 54 E 4.0937 8.3357 119.0758 58.8380 28.9495 179.5300 55 S 4.0705 8.0792 113.2700 61.4719 62.5318 175.5026 56 E 4.2614 8.1709 121.9240 59.4071 29.1018 178.4044 57 M 4.5676 7.9597 119.1409 57.9173 32.4760 177.1378 58 N 4.7633 8.1460 113.8504 52.9748 39.2924 175.3304 59 E 4.1783 6.9971 119.9770 55.9111 30.2388 176.2364 60 D 4.5496 8.3777 120.8933 54.8183 41.7096 175.5801 61 H 5.0428 8.7177 119.3756 53.6675 32.2206 172.9063 62 A 4.5551 8.6472 125.0573 51.5325 18.9163 176.7959 63 C 4.2075 9.2020 124.7871 59.3829 32.0775 173.2901 64 P 4.1822 0.0000 0.0000 65.2965 30.6099 176.5185 65 N 4.1347 7.0243 117.0796 55.5193 40.4069 177.7197 66 C 4.9911 7.3686 122.5754 57.3730 28.9078 175.9528 67 G 4.1380 8.5310 104.1092 45.2358 0.0000 172.3676 68 E 4.0197 8.0020 120.5205 55.8620 30.6601 176.7662 69 D 4.6765 8.2400 123.9318 53.3977 38.6298 176.2470 70 R 4.7693 7.6308 115.1141 55.7525 33.3981 175.4906 71 V 4.8026 8.0622 119.9018 62.1698 32.4184 174.9541 72 D 5.3934 9.2857 127.1995 52.3133 44.9570 175.2723 73 R 3.5208 8.5962 120.6220 55.9473 30.6789 176.2270 74 Q 4.2711 8.2192 123.4455 55.8922 30.5912 175.5596 75 G 3.6395 6.6575 103.4949 45.7287 0.0000 171.4025 76 T 3.6242 8.3856 117.3670 64.9532 68.0577 174.5331 77 G 4.3248 8.5137 114.5184 46.3096 0.0000 171.1382 78 I 4.6230 7.0395 121.2071 58.9623 39.4433 174.7657 79 W 5.0187 8.6705 126.8442 54.8558 32.6831 174.4530 80 Q 5.1380 9.0572 123.2611 54.8983 32.8277 172.8425 81 C 5.1760 9.2826 127.1351 58.5571 32.2681 174.6636 82 S 4.2891 9.1432 121.8744 60.8778 62.4705 174.3785 83 Y 4.4753 7.5740 122.8584 59.3036 39.0672 175.2435 84 C 4.0686 7.9457 116.0793 58.1580 30.7583 174.3620 85 D 4.7595 8.2774 119.5575 54.2515 38.9916 173.2903 86 Y 4.3702 8.0171 121.5373 58.3242 39.7217 174.5551 87 K 5.0743 8.5204 128.3946 54.6502 34.2138 174.8814 88 F 5.0113 9.1564 121.9113 55.6348 42.0268 173.1410 89 T 4.7879 8.6477 109.4833 61.3958 69.9551 174.9391 90 G 4.2725 8.0331 110.2618 46.0488 0.0000 171.9926 91 G 4.1042 8.6080 111.0263 44.8876 0.0000 174.8578 92 S 3.9523 8.4372 114.7289 60.8355 62.5180 175.1478 93 Y 5.0815 7.7570 114.2368 57.3360 39.8506 175.0226 94 K 4.5659 7.9042 119.0817 53.5588 36.0690 175.4894 95 P 2.9700 0.0000 0.0000 64.1943 31.5849 176.0905 96 E 4.7328 7.6103 117.4739 53.9479 32.9642 175.4388 97 T 4.6580 8.0638 112.9463 59.3520 72.5862 173.7737 98 P 4.3898 0.0000 0.0000 65.6178 31.4678 179.0070 99 G 3.8261 8.1014 104.5007 47.7043 0.0000 175.9760 100 G 3.6608 8.1999 108.2382 47.4088 0.0000 175.9126 101 K 4.2130 7.9872 119.5397 59.0468 31.7805 179.2015 102 T 4.0862 7.6340 116.5980 66.0209 68.1684 176.7238 103 V 3.6130 7.1408 118.6633 66.2338 31.7299 177.0545 104 R 4.0516 8.2865 116.5656 59.4523 29.5614 177.6537 105 R 3.5472 6.9140 111.1178 60.6146 30.4536 176.8196 106 S 4.2919 8.1630 119.4838 58.9864 62.9444 174.7127 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 34 S 8.19 4.38 0.00 3.85 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 35 S 7.82 4.13 0.00 4.04 4.11 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 36 G 7.54 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 0.00 0.00 0.00 37 R 7.63 3.98 0.00 1.81 1.92 0.00 2.77 0.00 0.00 3.02 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.84 0.00 38 F 8.22 4.94 0.00 3.44 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.63 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.60 4.41 1.24 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 0.00 0.00 0.00 41 R 7.35 4.06 0.00 0.94 0.66 0.00 2.89 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.35 0.00 42 Y 8.06 3.94 0.00 3.01 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 43 G 7.94 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.33 3.92 0.00 1.88 1.99 0.00 3.17 0.00 0.00 3.27 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 45 V 7.79 3.58 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.94 0.00 0.00 46 S 8.12 4.11 0.00 3.89 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.80 4.28 0.00 2.32 2.56 0.00 2.99 0.00 0.00 3.45 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.73 0.00 48 R 8.45 3.91 0.00 1.96 2.17 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 49 R 8.21 3.94 0.00 1.98 1.94 0.00 3.17 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 50 V 7.83 3.59 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 1.13 0.00 0.00 1.07 0.00 0.00 51 A 8.16 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.30 3.91 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 53 I 7.75 3.68 1.81 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.97 0.58 0.00 0.00 54 E 8.34 4.09 0.00 2.05 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 0.00 2.28 2.45 0.00 55 S 8.08 4.07 0.00 4.03 4.05 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 56 E 8.17 4.26 0.00 2.15 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 0.00 2.38 2.53 0.00 57 M 7.96 4.57 0.00 2.35 2.44 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.09 2.65 0.00 58 N 8.15 4.76 0.00 2.82 2.88 0.00 0.00 7.08 6.94 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 59 E 7.00 4.18 0.00 2.01 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 60 D 8.38 4.55 0.00 2.53 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.72 5.04 0.00 3.21 3.10 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.65 4.56 1.26 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 0.00 0.00 0.00 63 C 9.20 4.21 0.00 3.14 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.18 0.00 1.79 1.88 0.00 3.49 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.80 0.00 65 N 7.02 4.13 0.00 1.98 2.50 0.00 0.00 7.01 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 C 7.37 4.99 0.00 3.25 2.29 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 67 G 8.53 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.00 4.02 0.00 1.93 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.19 0.00 69 D 8.24 4.68 0.00 2.55 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.63 4.77 0.00 1.82 1.97 0.00 3.24 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 71 V 8.06 4.80 2.41 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 1.10 0.00 0.00 1.28 0.00 0.00 72 D 9.29 5.39 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.60 3.52 0.00 1.25 1.51 0.00 3.00 0.00 0.00 2.95 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.00 74 Q 8.22 4.27 0.00 1.80 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 75 G 6.66 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.39 3.62 4.13 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 1.07 0.00 0.00 77 G 8.51 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.04 4.62 1.57 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.94 0.72 0.00 0.00 79 W 8.67 5.02 0.00 1.78 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 9.06 5.14 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.65 0.00 81 C 9.28 5.18 0.00 3.34 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 9.14 4.29 0.00 4.10 4.07 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 83 Y 7.57 4.48 0.00 2.89 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 84 C 7.95 4.07 0.00 3.05 2.88 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 85 D 8.28 4.76 0.00 2.94 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 86 Y 8.02 4.37 0.00 3.06 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.52 5.07 0.00 1.76 1.60 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.22 1.32 7.81 88 F 9.16 5.01 0.00 3.03 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.65 4.79 4.28 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 1.22 0.00 0.00 90 G 8.03 4.27 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 0.00 0.00 0.00 91 G 8.61 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.44 3.95 0.00 3.10 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 7.76 5.08 0.00 3.17 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 94 K 7.90 4.57 0.00 1.78 1.52 0.00 1.82 0.00 0.00 1.99 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.50 7.81 95 P 0.00 2.97 0.00 1.85 0.86 0.00 3.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.26 0.00 96 E 7.61 4.73 0.00 1.84 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 97 T 8.06 4.66 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 98 P 0.00 4.39 0.00 2.05 2.16 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 99 G 8.10 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 0.00 0.00 0.00 100 G 8.20 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 0.00 101 K 7.99 4.21 0.00 1.89 1.88 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.65 7.81 102 T 7.63 4.09 4.45 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 1.21 0.00 0.00 103 V 7.14 3.61 2.20 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 0.76 0.00 0.00 0.97 0.00 0.00 104 R 8.29 4.05 0.00 1.83 2.00 0.00 3.29 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 105 R 6.91 3.55 0.00 2.05 1.84 0.00 3.17 0.00 0.00 3.27 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 106 S 8.16 4.29 0.00 3.97 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00