NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 59 M 4.3200 8.3044 118.1925 54.8437 32.5264 174.2702 60 E 4.0170 8.5456 120.2522 55.0385 29.5146 173.8505 61 N 4.9862 8.9134 124.4642 50.8293 42.3395 174.1044 62 D 4.4197 8.5426 118.6362 54.6418 41.1797 176.7457 63 P 4.3483 0.0000 0.0000 64.6825 31.6760 176.7109 64 N 5.1120 8.1224 114.8212 52.3263 37.7548 173.2723 65 L 4.8037 7.9201 122.4575 55.0287 43.4725 175.6690 66 F 5.5348 9.3988 123.9959 55.6365 43.7531 174.0550 67 V 5.1047 8.8715 118.9902 59.8061 34.8901 174.7380 68 A 4.6752 8.8876 125.4711 52.2045 18.8240 178.4018 69 L 4.2418 9.1216 123.1302 56.7921 42.4928 176.6207 70 Y 4.9141 7.7111 113.6383 56.0740 42.1985 174.8483 71 D 4.9730 8.9200 120.7257 55.0116 42.1239 176.0075 72 F 4.9753 9.5051 123.4810 57.0599 43.1058 173.1277 73 V 4.2343 8.0193 126.2686 60.7742 32.3985 175.0012 74 A 3.6109 8.6332 130.4920 52.6788 18.6477 178.4737 75 S 4.1290 8.0309 116.4779 58.9770 62.1103 175.0839 76 G 3.3437 8.4066 113.4656 47.8807 0.0000 170.3782 77 D 4.2349 8.8339 115.6551 55.8007 37.5186 174.6495 78 N 4.4489 8.0915 112.4671 54.0524 36.5630 174.8793 79 T 5.0609 7.4092 107.4629 60.7286 70.3239 173.5639 80 L 4.8428 8.7671 125.0608 53.4070 44.0023 176.1866 81 S 4.8577 8.8119 122.7193 58.4651 63.8138 173.5241 82 I 5.0368 9.4490 116.7207 59.6934 41.5371 173.9535 83 T 5.1281 8.9792 119.9794 61.2305 71.4244 174.0623 84 K 4.0220 9.2694 127.0964 58.4071 32.4589 177.2252 85 G 3.9757 9.1894 115.2976 45.0301 0.0000 173.1784 86 E 4.2245 8.0841 121.5016 56.0180 30.8934 175.8704 87 K 4.9654 8.5823 125.3154 55.9779 33.6415 176.3924 88 L 4.7712 8.8966 123.9230 54.4298 44.2824 174.6669 89 R 4.9112 9.0041 124.8400 54.9493 31.3418 175.2432 90 V 3.9616 8.6793 128.1911 62.7767 31.4781 175.5864 91 L 4.4618 8.7179 127.4749 55.6773 43.5705 176.5140 92 G 4.0487 7.2124 103.4545 45.5267 0.0000 171.7547 93 Y 5.6635 8.3590 117.5075 55.6393 41.7177 175.5131 94 N 4.9912 9.4278 120.5648 52.8863 38.5619 175.5636 95 H 4.3377 9.1711 113.9957 57.8626 28.6752 175.8066 96 N 4.5881 7.8506 114.8806 51.6975 37.4667 174.9491 97 G 3.9090 8.1170 105.4998 46.7931 0.0000 174.8991 98 E 4.1370 8.3009 120.4414 57.4114 30.8381 176.5311 99 W 5.0240 8.8578 119.8612 54.8205 32.6558 174.3665 100 C 5.4267 9.7226 121.7767 57.8367 31.2358 172.8376 101 E 4.1580 8.7789 125.2143 55.6653 29.9204 175.1741 102 A 5.1209 9.1630 129.1401 49.8986 23.1728 174.2480 103 Q 5.0291 8.8106 117.3593 54.7753 31.2743 174.9215 104 T 5.0040 8.6367 112.7973 59.8207 72.4123 174.2469 105 K 4.2355 8.9681 119.0254 58.8088 32.7027 176.8811 106 N 4.8356 9.1984 116.0395 52.3051 40.4604 175.4582 107 G 3.8638 6.0437 103.4800 45.6541 0.0000 170.9549 108 Q 5.0357 8.6533 118.2605 53.5735 32.5262 175.4633 109 G 3.9813 7.8940 108.6990 46.0937 0.0000 171.2867 110 W 5.3534 8.4946 120.2185 56.5171 30.4800 176.6774 111 V 4.8711 9.4918 116.7112 58.8198 36.0995 173.0457 112 P 3.5551 0.0000 0.0000 61.5798 32.3125 177.1323 113 S 4.0900 8.3647 119.7064 62.0155 62.9337 176.8918 114 Q 4.1605 7.8752 116.8397 58.2048 28.7414 176.3584 115 Y 4.6617 8.3519 115.2308 57.9022 38.4796 174.5057 116 I 5.3034 7.6521 112.5986 59.8578 41.4542 174.2666 117 T 4.8319 8.9191 115.5368 60.0019 70.9108 171.2717 118 P 3.6096 0.0000 0.0000 62.3330 31.5347 176.8546 119 V 3.6915 8.2117 122.7398 65.4951 31.8298 177.0356 120 N 4.5198 7.7665 116.7387 53.2452 39.0451 174.9460 121 S 4.1260 8.2739 115.7698 58.7504 62.9505 173.7812 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 59 M 8.30 4.32 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 60 E 8.55 4.02 0.00 2.02 1.91 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 2.26 2.39 0.00 61 N 8.91 4.99 0.00 2.92 2.70 0.00 0.00 7.06 7.94 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 62 D 8.54 4.42 0.00 2.72 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.07 2.13 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 64 N 8.12 5.11 0.00 3.11 3.10 0.00 0.00 5.89 6.67 0.00 0.00 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 L 7.92 4.80 0.00 1.86 1.69 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 66 F 9.40 5.53 0.00 3.06 2.93 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 67 V 8.87 5.10 2.11 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 0.81 0.00 0.00 1.02 0.00 0.00 68 A 8.89 4.68 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 69 L 9.12 4.24 0.00 1.39 1.05 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 7.71 4.91 0.00 2.82 2.81 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 0.00 0.00 0.00 71 D 8.92 4.97 0.00 2.71 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.51 4.98 0.00 3.09 2.93 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 73 V 8.02 4.23 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 0.74 0.00 0.00 0.90 0.00 0.00 74 A 8.63 3.61 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 75 S 8.03 4.13 0.00 3.93 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 76 G 8.41 3.34 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 0.00 77 D 8.83 4.23 0.00 3.06 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.09 4.45 0.00 3.14 3.01 0.00 0.00 6.70 7.05 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 79 T 7.41 5.06 4.57 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 1.36 0.00 0.00 80 L 8.77 4.84 0.00 1.69 1.71 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.81 4.86 0.00 3.81 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.45 5.04 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 1.02 0.00 0.00 83 T 8.98 5.13 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 1.30 0.00 0.00 84 K 9.27 4.02 0.00 1.71 1.77 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.37 7.81 85 G 9.19 3.98 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 0.00 86 E 8.08 4.22 0.00 2.18 1.97 0.00 0.00 0.00 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 2.32 0.00 87 K 8.58 4.97 0.00 1.71 1.75 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.45 7.81 88 L 8.90 4.77 0.00 1.62 1.74 1.10 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 89 R 9.00 4.91 0.00 1.92 1.84 0.00 3.06 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 90 V 8.68 3.96 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 -0.21 0.00 0.00 91 L 8.72 4.46 0.00 1.42 1.56 0.82 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 92 G 7.21 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 0.00 0.00 0.00 93 Y 8.36 5.66 0.00 2.92 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 94 N 9.43 4.99 0.00 2.83 2.91 0.00 0.00 6.83 7.37 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 95 H 9.17 4.34 0.00 3.34 3.53 0.00 5.49 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 7.85 4.59 0.00 2.73 2.75 0.00 0.00 6.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.12 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 98 E 8.30 4.14 0.00 2.01 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 2.37 2.41 0.00 99 W 8.86 5.02 0.00 3.08 2.91 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 0.00 100 C 9.72 5.43 0.00 2.70 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 0.00 101 E 8.78 4.16 0.00 1.17 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 1.87 1.92 0.00 102 A 9.16 5.12 1.08 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 0.00 0.00 103 Q 8.81 5.03 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.44 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 104 T 8.64 5.00 4.41 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 0.00 0.00 0.00 1.23 0.00 0.00 105 K 8.97 4.24 0.00 1.89 1.99 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.47 7.81 106 N 9.20 4.84 0.00 2.73 2.89 0.00 0.00 6.83 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 6.04 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 0.00 0.00 0.00 108 Q 8.65 5.04 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.06 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 109 G 7.89 3.98 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 0.00 110 W 8.49 5.35 0.00 3.35 3.24 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 0.00 111 V 9.49 4.87 1.91 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 0.93 0.00 0.00 0.92 0.00 0.00 112 P 0.00 3.56 0.00 1.55 0.50 0.00 2.33 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.61 0.00 113 S 8.36 4.09 0.00 3.88 4.02 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 0.00 114 Q 7.88 4.16 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 115 Y 8.35 4.66 0.00 2.97 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 0.00 116 I 7.65 5.30 2.06 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.90 0.97 0.00 0.00 117 T 8.92 4.83 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 0.00 118 P 0.00 3.61 0.00 1.62 1.22 0.00 3.56 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.25 0.00 119 V 8.21 3.69 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 0.73 0.00 0.00 0.93 0.00 0.00 120 N 7.77 4.52 0.00 2.66 2.69 0.00 0.00 6.67 7.57 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 0.00 121 S 8.27 4.13 0.00 3.88 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00