NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 62 A 4.2036 8.1233 122.4522 51.9392 20.4719 175.3164 63 M 4.7438 8.0598 120.5259 52.9326 35.1802 174.5170 64 F 4.7507 9.4299 121.2887 55.5723 43.1548 173.6863 65 Q 4.0861 9.0271 126.4468 55.6209 29.2629 175.5693 66 I 4.3385 8.0709 118.9670 59.9051 38.6633 174.8583 67 G 3.8384 6.9867 108.9990 44.7942 0.0000 172.7162 68 K 3.9824 8.5359 120.8981 57.9379 32.6236 176.4538 69 M 3.3812 8.8965 123.1193 55.8118 29.9576 175.7314 70 R 5.3212 7.6632 118.2002 54.6744 33.9343 174.1517 71 Y 5.1536 9.1261 120.1796 56.2291 42.7888 174.2966 72 V 4.8033 9.2078 122.8933 61.8135 33.5133 174.5440 73 S 5.3110 9.3604 122.7555 56.4549 65.4095 172.5483 74 V 5.0278 8.6313 126.4677 61.1462 33.6062 174.6310 75 R 4.6724 8.7432 122.7362 55.4195 33.6031 172.9603 76 D 5.2263 8.6461 119.2848 52.5838 42.8821 175.1713 77 F 4.7058 9.5075 129.0900 56.9261 40.7317 174.9965 78 K 3.7853 9.2977 129.5214 57.5689 29.1675 176.8360 79 G 3.9656 8.2099 105.1305 45.3924 0.0000 173.9384 80 K 4.7347 7.8873 119.0072 54.3465 35.7084 175.2692 81 V 4.5882 8.4051 123.4656 62.0158 32.8470 174.9453 82 L 4.9346 8.9659 127.5410 53.0002 45.2421 175.5793 83 I 4.2243 8.9761 124.7193 59.8649 38.9450 173.7611 84 D 5.3407 9.1181 128.2522 52.3981 43.6470 174.9386 85 I 4.9986 8.6409 126.9210 59.9403 39.5781 174.6039 86 R 5.0533 8.8765 126.3713 55.2101 34.3282 173.4784 87 E 5.0135 9.0263 122.5607 56.2600 30.8165 175.5819 88 Y 5.1839 9.3344 120.7698 56.1654 41.9126 174.9134 89 W 4.8527 9.5765 120.9498 55.3988 32.6166 174.5530 90 M 5.1569 8.6722 121.9891 54.0585 33.2816 175.7201 91 D 4.8281 9.2053 126.6539 51.7348 40.9999 175.4134 92 P 4.3490 0.0000 0.0000 64.9713 31.2505 177.3346 93 E 4.2693 8.3808 115.9844 56.0659 29.6559 177.0143 94 G 3.9697 8.5163 108.0374 45.2042 0.0000 173.6465 95 E 4.3596 8.3852 119.7721 55.9507 31.1249 175.6326 96 M 4.9669 8.4741 122.9021 54.8097 33.2452 175.7012 97 K 4.8711 9.4372 123.7017 53.5105 35.3828 173.9823 98 P 3.5705 0.0000 0.0000 62.8303 31.8287 176.4682 99 G 4.1186 8.4318 111.4915 45.0107 0.0000 174.0097 100 R 4.1284 8.6492 118.0685 58.4839 30.4281 177.5941 101 K 4.3357 7.8575 118.1020 55.0965 31.7046 175.9753 102 G 4.4658 7.9251 110.5967 45.7734 0.0000 169.4142 103 I 4.7427 8.5905 119.2357 59.4791 41.7998 173.7599 104 S 4.8896 8.7383 125.1548 57.2601 64.0355 173.3661 105 L 5.0518 8.9664 126.0632 52.9978 44.2130 176.6955 106 N 4.9956 9.0818 120.3681 51.2061 39.0358 174.4568 107 P 4.3907 0.0000 0.0000 65.5890 31.2208 178.6599 108 E 3.9727 8.2546 117.8845 59.4203 29.6639 178.7634 109 Q 4.0517 9.0150 118.6379 58.5525 28.7376 178.3703 110 W 4.3597 8.5444 129.6407 60.7103 30.7463 177.9762 111 S 3.8530 8.4393 113.1042 61.4014 61.5227 176.1682 112 Q 3.9605 7.7791 120.0990 58.4261 28.8469 177.8390 113 L 4.0086 7.9727 121.6731 58.0736 42.1298 179.2548 114 K 3.6864 7.6856 118.4381 59.2806 31.6694 179.2447 115 E 3.9954 8.0523 117.9519 58.5864 29.5251 178.2918 116 Q 4.4198 7.4909 116.0690 55.7087 29.0236 177.3845 117 I 3.6219 7.4895 123.5349 64.4516 37.1607 178.0416 118 S 4.0561 7.9858 113.3302 61.6766 62.2318 175.8602 119 D 4.3715 7.9992 120.9277 57.3074 40.5224 178.7305 120 I 3.7027 8.0614 120.7867 64.4873 37.0857 178.1105 121 D 4.3764 8.5404 120.1186 57.5696 40.5010 178.7161 122 D 4.3185 8.2561 119.0986 57.2752 40.5756 178.7261 123 A 3.9934 7.8433 120.4747 54.8886 18.6317 179.4452 124 V 3.6648 8.1333 117.2659 66.3269 31.3971 178.2226 125 R 3.9138 7.9061 116.9463 59.3990 29.9807 178.1859 126 K 4.1699 7.7074 116.3307 58.1143 32.1841 177.0410 127 L 4.1957 7.5519 123.5656 54.9023 41.6376 176.5239 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 62 A 8.12 4.20 1.14 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 63 M 8.06 4.74 0.00 1.64 1.64 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.36 0.00 64 F 9.43 4.75 0.00 2.93 2.94 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 65 Q 9.03 4.09 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.89 0.00 0.00 0.00 0.00 0.00 2.13 1.38 0.00 66 I 8.07 4.34 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.80 0.95 0.00 0.00 67 G 6.99 3.84 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 0.00 0.00 0.00 68 K 8.54 3.98 0.00 1.68 1.69 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.45 7.81 69 M 8.90 3.38 0.00 2.53 2.15 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 70 R 7.66 5.32 0.00 1.64 1.79 0.00 3.04 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 71 Y 9.13 5.15 0.00 2.59 2.66 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 72 V 9.21 4.80 2.22 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 0.83 0.00 0.00 0.98 0.00 0.00 73 S 9.36 5.31 0.00 3.89 3.75 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 74 V 8.63 5.03 2.19 0.00 0.00 0.00 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 0.88 0.00 0.00 75 R 8.74 4.67 0.00 1.94 1.98 0.00 2.82 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 76 D 8.65 5.23 0.00 2.72 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 77 F 9.51 4.71 0.00 3.01 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 78 K 9.30 3.79 0.00 1.65 1.64 0.00 1.59 0.00 0.00 1.32 0.00 0.00 2.52 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.77 7.81 79 G 8.21 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.89 4.73 0.00 1.95 1.76 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.37 7.81 81 V 8.41 4.59 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 0.79 0.00 0.00 0.96 0.00 0.00 82 L 8.97 4.93 0.00 1.55 1.45 0.62 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.98 4.22 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.20 0.03 0.00 0.00 84 D 9.12 5.34 0.00 2.62 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.64 5.00 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.59 0.99 0.00 0.00 86 R 8.88 5.05 0.00 2.01 1.84 0.00 2.74 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.64 0.00 87 E 9.03 5.01 0.00 2.10 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 2.34 2.32 0.00 88 Y 9.33 5.18 0.00 3.08 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 89 W 9.58 4.85 0.00 3.21 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 90 M 8.67 5.16 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 91 D 9.21 4.83 0.00 2.93 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 92 P 0.00 4.35 0.00 2.08 2.18 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 93 E 8.38 4.27 0.00 2.05 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 0.00 2.27 2.24 0.00 94 G 8.52 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.39 4.36 0.00 2.18 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 2.31 2.43 0.00 96 M 8.47 4.97 0.00 1.79 1.72 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 97 K 9.44 4.87 0.00 1.67 1.67 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.49 7.81 98 P 0.00 3.57 0.00 1.84 1.68 0.00 3.75 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 1.90 1.93 0.00 99 G 8.43 4.12 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 0.00 0.00 0.00 100 R 8.65 4.13 0.00 1.86 2.01 0.00 3.23 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 101 K 7.86 4.34 0.00 1.88 1.78 0.00 1.93 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.48 7.81 102 G 7.93 4.47 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 0.00 0.00 0.00 103 I 8.59 4.74 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.64 0.95 0.00 0.00 104 S 8.74 4.89 0.00 3.74 3.73 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 0.00 105 L 8.97 5.05 0.00 1.74 1.69 1.16 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 106 N 9.08 5.00 0.00 3.01 3.01 0.00 0.00 6.96 7.35 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 0.00 107 P 0.00 4.39 0.00 2.25 2.23 0.00 3.65 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 2.16 2.18 0.00 108 E 8.25 3.97 0.00 2.07 2.17 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 2.40 2.42 0.00 109 Q 9.01 4.05 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 110 W 8.54 4.36 0.00 3.34 3.26 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 0.00 111 S 8.44 3.85 0.00 3.92 4.09 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 0.00 0.00 0.00 0.00 112 Q 7.78 3.96 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 113 L 7.97 4.01 0.00 1.74 1.65 0.90 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.69 3.69 0.00 1.61 1.53 0.00 1.41 0.00 0.00 1.11 0.00 0.00 2.35 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.56 0.26 7.81 115 E 8.05 4.00 0.00 2.03 1.96 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 2.28 2.44 0.00 116 Q 7.49 4.42 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 117 I 7.49 3.62 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.59 0.90 0.00 0.00 118 S 7.99 4.06 0.00 3.85 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 0.00 119 D 8.00 4.37 0.00 2.85 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 0.00 120 I 8.06 3.70 1.98 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 1.50 0.75 0.90 0.00 0.00 121 D 8.54 4.38 0.00 2.83 2.71 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 0.00 122 D 8.26 4.32 0.00 2.88 2.70 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 0.00 123 A 7.84 3.99 1.35 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 0.00 0.00 0.00 124 V 8.13 3.66 2.22 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 0.98 0.00 0.00 0.94 0.00 0.00 125 R 7.91 3.91 0.00 2.04 1.94 0.00 3.30 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 126 K 7.71 4.17 0.00 1.85 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.67 7.81 127 L 7.55 4.20 0.00 1.62 1.57 0.92 1.17 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