NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 55 S 4.4163 8.3349 116.7949 58.7044 64.5906 174.5978 56 N 4.7139 8.4035 126.8820 50.6063 36.7234 171.9523 57 T 5.5075 8.2572 112.0876 58.9184 74.2367 174.1623 58 I 4.8975 7.9113 121.1387 59.7505 41.7082 174.1499 59 R 4.7667 8.1949 127.2867 55.0425 32.0071 175.0692 60 V 4.7326 8.6068 125.8151 61.0963 34.8431 174.0490 61 F 4.8191 9.2832 127.5223 56.8177 40.0672 175.1441 62 L 5.0623 8.9009 123.2055 51.8949 45.1894 174.1841 63 P 4.2179 0.0000 0.0000 62.8745 32.2264 175.3897 64 N 4.1535 9.0870 116.2995 55.4970 37.1522 173.7564 65 K 3.8750 8.1691 110.2884 57.5814 30.1885 174.7899 66 Q 4.9089 7.5492 115.4005 54.6469 32.2105 175.2475 67 R 4.9804 8.1777 115.1455 56.1025 32.4198 173.9339 68 T 4.6059 8.4751 113.1672 60.9264 71.4387 172.2625 69 V 4.7837 8.2770 125.8257 61.2167 34.0094 174.9452 70 V 4.5634 8.4738 120.7654 59.5195 34.9129 174.7688 71 N 4.9939 8.6555 120.5532 52.9137 39.6747 174.6158 72 V 4.3903 8.6717 123.2470 61.1819 33.7188 174.9632 73 R 4.6380 8.4121 126.3933 53.8411 32.4028 175.0733 74 N 4.3704 8.7461 119.1485 55.4140 38.9948 173.9987 75 G 4.1473 8.9884 109.9294 46.0931 0.0000 174.2405 76 M 4.1992 8.0194 119.2373 55.3510 32.7881 176.2389 77 S 5.0013 9.1381 119.1157 57.0141 64.9042 175.1392 78 L 3.9943 8.9973 123.6719 58.9985 41.4536 178.6496 79 H 4.3672 8.5266 117.9544 59.4583 29.5124 176.9936 80 D 4.2941 7.8081 119.5532 57.7123 40.8124 178.4066 81 C 4.3183 8.1313 115.1377 61.8032 28.5328 174.8710 82 L 4.5446 7.6659 118.6980 54.5638 41.9222 177.7532 83 M 3.8081 7.6166 119.7710 58.8312 32.0855 178.1765 84 K 3.9131 7.9602 117.3531 59.4982 32.4876 178.9924 85 A 4.0023 8.0039 120.4454 55.2089 18.2009 179.5844 86 L 3.9171 8.0009 117.4460 57.6197 41.7544 179.4499 87 K 3.9097 8.0947 119.5885 59.6181 32.0212 178.9066 88 V 3.8588 7.8207 109.7075 62.9906 31.5392 176.8442 89 R 4.4433 7.1886 115.5547 55.2017 30.5835 176.1560 90 G 3.9386 7.9357 105.6762 46.4661 0.0000 173.6854 91 L 4.7646 8.1599 119.0358 52.7355 43.6338 176.1909 92 Q 4.5813 8.3780 120.7865 53.1456 31.2623 174.7863 93 P 3.7227 0.0000 0.0000 65.4859 31.0906 178.2457 94 E 3.9529 7.8869 115.2542 58.3594 29.8020 177.0020 95 C 4.6760 8.1588 116.4194 59.6853 28.6559 172.3813 96 C 5.6160 8.1171 116.6105 57.9122 31.8831 173.0967 97 A 4.9469 9.4372 122.2490 50.0656 21.9010 175.5979 98 V 4.4910 7.3378 119.7559 59.6953 34.0940 174.5955 99 F 5.2603 9.3039 122.6112 55.5951 43.0507 173.8093 100 R 4.7002 9.0675 122.4744 55.0016 31.7463 175.1293 101 L 4.5254 8.5598 127.0456 54.4640 42.7505 177.1902 102 L 4.3502 9.1500 125.4464 53.3941 40.9789 177.0188 103 H 4.2588 8.4714 121.4407 58.7503 28.9761 176.9159 104 E 4.2443 8.1378 116.0598 58.0145 29.4277 176.3365 105 H 4.8547 7.6559 116.4921 55.8325 30.6428 173.8222 106 K 3.6325 9.0436 115.4902 58.2662 28.7899 175.5712 107 G 3.9114 8.1934 102.3955 45.7840 0.0000 171.3512 108 K 4.0785 7.4766 120.1326 56.2453 33.2584 175.8417 109 K 4.9989 8.4920 125.7558 54.9844 34.0844 175.6290 110 A 4.7848 8.8787 125.9754 49.8090 21.5612 175.5427 111 R 3.9638 8.9576 123.7553 56.5115 30.7793 175.6232 112 L 4.7627 8.1092 125.4146 52.6440 45.3391 175.6625 113 D 4.5066 8.2620 119.9381 53.2764 42.2229 177.5847 114 W 4.2073 8.7076 125.0882 59.3527 29.2874 177.1167 115 N 4.7783 8.0341 113.3099 53.1221 38.3775 175.4404 116 T 3.9034 7.6912 116.7216 63.4191 69.1244 173.1552 117 D 4.6505 8.6284 124.5392 53.9907 41.8754 176.7310 118 A 3.9921 8.9996 129.4663 55.3113 18.0064 179.0937 119 A 4.1314 7.5719 119.5560 55.3654 18.1646 179.4867 120 S 4.3846 7.8868 111.8377 59.9511 63.2094 174.8375 121 L 4.5890 7.9560 121.5109 54.0216 42.1288 176.2238 122 I 3.8029 7.1453 119.8170 63.0459 37.2596 176.5617 123 G 4.0073 8.8071 114.1420 45.1977 0.0000 173.5035 124 E 4.4001 8.2141 119.5672 56.0713 31.4214 175.3865 125 E 5.0867 8.7456 121.0176 54.8324 32.3114 175.3710 126 L 5.3212 8.8416 123.8774 53.0512 45.9286 175.1368 127 Q 5.0748 9.1450 120.7381 54.7482 32.5628 173.4368 128 V 4.9087 8.9697 127.0553 61.4629 33.1512 174.5058 129 D 5.1216 9.0951 126.9838 52.2630 44.8543 175.4806 130 F 4.9224 8.6689 119.0203 57.2395 40.1530 175.8319 131 L 4.3093 8.9587 121.1013 55.2879 41.4692 177.0906 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 55 S 8.33 4.42 0.00 3.88 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 56 N 8.40 4.71 0.00 2.72 2.85 0.00 0.00 6.62 6.17 0.00 0.00 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 T 8.26 5.51 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 58 I 7.91 4.90 1.86 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 1.37 0.98 0.98 0.00 0.00 59 R 8.19 4.77 0.00 1.66 1.69 0.00 2.98 0.00 0.00 2.79 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.19 0.00 60 V 8.61 4.73 2.02 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 0.94 0.00 0.00 0.90 0.00 0.00 61 F 9.28 4.82 0.00 3.03 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 62 L 8.90 5.06 0.00 1.54 1.55 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.22 0.00 1.87 1.93 0.00 3.72 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 1.27 1.88 0.00 64 N 9.09 4.15 0.00 2.93 2.94 0.00 0.00 7.15 6.68 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 65 K 8.17 3.88 0.00 1.94 1.89 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.47 7.81 66 Q 7.55 4.91 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 67 R 8.18 4.98 0.00 1.44 1.83 0.00 3.01 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 68 T 8.48 4.61 4.21 0.00 0.00 0.00 0.00 0.00 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 69 V 8.28 4.78 2.04 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 0.89 0.00 0.00 0.85 0.00 0.00 70 V 8.47 4.56 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 0.85 0.00 0.00 0.98 0.00 0.00 71 N 8.66 4.99 0.00 2.60 2.73 0.00 0.00 6.71 7.68 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 72 V 8.67 4.39 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 0.81 0.00 0.00 0.93 0.00 0.00 73 R 8.41 4.64 0.00 1.88 1.79 0.00 3.21 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 74 N 8.75 4.37 0.00 2.71 2.80 0.00 0.00 7.32 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 75 G 8.99 4.15 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 0.00 0.00 0.00 76 M 8.02 4.20 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.52 0.00 77 S 9.14 5.00 0.00 4.06 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 78 L 9.00 3.99 0.00 1.82 2.01 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.53 4.37 0.00 3.56 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.81 4.29 0.00 2.98 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.13 4.32 0.00 2.97 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 82 L 7.67 4.54 0.00 1.93 1.81 1.11 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 83 M 7.62 3.81 0.00 1.91 2.15 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 84 K 7.96 3.91 0.00 1.82 1.83 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.48 7.81 85 A 8.00 4.00 1.32 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 86 L 8.00 3.92 0.00 1.80 1.85 0.79 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.09 3.91 0.00 1.96 1.91 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 88 V 7.82 3.86 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 0.72 0.00 0.00 1.01 0.00 0.00 89 R 7.19 4.44 0.00 1.97 1.95 0.00 3.38 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 90 G 7.94 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.16 4.76 0.00 1.69 1.60 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.38 4.58 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 93 P 0.00 3.72 0.00 1.03 1.09 0.00 3.53 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 94 E 7.89 3.95 0.00 2.06 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 2.25 2.25 0.00 95 C 8.16 4.68 0.00 3.29 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 96 C 8.12 5.62 0.00 3.12 3.08 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 0.00 0.00 0.00 97 A 9.44 4.95 1.01 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 0.00 0.00 98 V 7.34 4.49 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.45 0.00 0.00 0.54 0.00 0.00 99 F 9.30 5.26 0.00 2.82 2.89 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 0.00 100 R 9.07 4.70 0.00 1.81 1.89 0.00 3.06 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 101 L 8.56 4.53 0.00 1.57 1.53 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 102 L 9.15 4.35 0.00 1.61 1.67 0.87 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.47 4.26 0.00 3.16 3.35 0.00 5.70 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.14 4.24 0.00 1.92 1.87 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 2.32 2.27 0.00 105 H 7.66 4.85 0.00 3.10 3.24 0.00 5.81 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 K 9.04 3.63 0.00 1.93 1.79 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.40 7.81 107 G 8.19 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 0.00 108 K 7.48 4.08 0.00 2.07 1.68 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.39 7.81 109 K 8.49 5.00 0.00 1.35 1.48 0.00 1.16 0.00 0.00 1.64 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.25 7.81 110 A 8.88 4.78 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.96 3.96 0.00 1.78 1.76 0.00 2.86 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.08 0.00 112 L 8.11 4.76 0.00 1.19 1.33 0.80 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.26 4.51 0.00 2.71 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 W 8.71 4.21 0.00 3.43 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.03 4.78 0.00 3.03 2.87 0.00 0.00 7.00 7.42 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 0.00 116 T 7.69 3.90 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 1.18 0.00 0.00 117 D 8.63 4.65 0.00 2.68 2.56 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 0.00 0.00 0.00 118 A 9.00 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.57 4.13 1.45 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 0.00 120 S 7.89 4.38 0.00 3.93 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.96 4.59 0.00 1.76 1.63 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.15 3.80 1.87 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 0.53 0.91 0.00 0.00 123 G 8.81 4.01 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 0.00 0.00 0.00 124 E 8.21 4.40 0.00 2.02 1.88 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 2.40 2.43 0.00 125 E 8.75 5.09 0.00 2.12 2.14 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 2.49 2.47 0.00 126 L 8.84 5.32 0.00 1.57 1.64 0.85 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 9.15 5.07 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 128 V 8.97 4.91 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 0.96 0.00 0.00 1.02 0.00 0.00 129 D 9.10 5.12 0.00 2.92 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 F 8.67 4.92 0.00 3.04 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 0.00 131 L 8.96 4.31 0.00 1.73 1.67 1.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00