NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 59 M 4.3089 8.2893 120.3468 55.1658 33.3323 174.9374 60 E 4.0384 8.6273 122.6808 55.2693 29.6926 174.4920 61 N 4.8977 8.9825 122.8039 50.7977 42.0313 176.0104 62 D 4.4796 8.3756 119.0894 54.2488 41.2410 176.5286 63 P 4.2877 0.0000 0.0000 64.7472 31.6837 176.7937 64 N 5.0944 8.1220 114.8047 52.3509 37.7124 173.3200 65 L 4.8481 8.0412 122.7747 55.1190 43.2340 175.7216 66 F 5.4546 9.5069 124.4732 55.5869 43.5769 174.2206 67 V 5.0648 8.8451 119.1138 59.7847 34.7994 174.7350 68 A 4.7350 8.9782 125.3536 52.2167 18.8738 178.4577 69 L 4.0022 9.1176 122.8034 56.7875 42.5139 176.6886 70 Y 4.9197 7.8131 113.6191 55.9156 42.2935 174.8953 71 D 4.8613 9.0210 121.1619 54.9270 41.9921 175.8230 72 F 5.0493 9.3929 124.4375 56.5528 42.5613 173.3548 73 V 4.3987 8.0366 125.9235 60.7105 32.6480 175.2040 74 A 3.7508 8.3867 129.8266 52.5245 19.0639 176.8948 75 S 4.3599 8.2531 117.2683 57.1792 65.3589 173.7204 76 G 3.8936 8.7172 111.2730 46.7414 0.0000 171.5702 77 D 4.5077 8.0339 121.7433 53.7226 41.4690 175.9190 78 N 4.2152 8.8549 121.7644 54.5736 37.5770 173.1640 79 T 5.1503 7.3689 104.4711 60.4539 70.4713 173.4892 80 L 4.8338 8.6429 125.1990 53.4973 44.1143 175.9883 81 S 4.8323 8.7409 122.3927 58.2514 63.8452 173.4258 82 I 5.0745 8.9718 116.8418 59.5260 41.5111 174.0894 83 T 5.0979 9.5387 119.5038 61.1439 71.7528 173.8637 84 K 3.9706 9.2075 126.9234 58.6910 32.3741 176.9722 85 G 3.9784 8.9797 115.5840 44.8601 0.0000 173.0696 86 E 4.1967 8.3471 122.1336 56.0777 30.7908 175.9772 87 K 4.8982 8.5782 125.4537 56.1607 33.3811 176.1365 88 L 5.0299 9.1317 122.7141 53.1012 46.9025 175.1691 89 R 4.9079 8.8782 122.0680 54.6933 32.2171 174.7889 90 V 4.1605 8.5020 127.4575 62.1739 31.6451 175.4741 91 L 4.4172 8.8137 127.8275 55.7792 43.2984 176.5899 92 G 4.0751 7.1923 103.5611 45.6227 0.0000 171.9677 93 Y 5.4872 8.3959 117.4870 55.5687 41.5270 175.7568 94 N 4.9828 9.1963 120.1408 52.4038 38.6471 175.5520 95 H 4.2846 8.9674 113.1981 58.1047 28.4618 175.7551 96 N 4.6390 7.8256 114.8931 51.8752 37.3149 175.3040 97 G 3.8808 8.0959 105.4253 46.5820 0.0000 174.8286 98 E 4.1801 8.3577 119.8861 57.4100 30.8411 176.4675 99 W 5.1723 8.9211 119.4873 54.8788 32.7062 174.5160 100 C 5.3301 9.5722 120.8659 57.9048 31.7092 172.8193 101 E 4.0265 8.7642 125.1954 55.3379 30.1365 175.0017 102 A 5.0456 8.9544 128.9855 50.1170 22.9549 174.2893 103 Q 5.1626 9.1235 119.2257 54.4681 31.7963 175.2327 104 T 4.9489 8.5663 113.2546 59.5965 72.2658 174.4730 105 K 4.0477 8.1219 119.3466 59.2447 32.4232 177.1660 106 N 4.8015 9.7990 115.7914 52.6665 39.9856 175.4956 107 G 3.8300 6.1244 105.6179 44.8638 0.0000 171.3403 108 Q 4.9803 8.8461 118.4556 53.3155 32.3495 175.9274 109 G 4.1330 7.6505 107.8570 46.2974 0.0000 170.8878 110 W 5.4265 8.2472 119.7026 56.4131 30.6367 176.6414 111 V 4.8481 9.3046 116.5983 58.8050 36.1507 173.0703 112 P 3.6453 0.0000 0.0000 61.8827 32.0794 177.2984 113 S 4.0243 8.5583 119.3532 61.8000 62.9533 176.7330 114 A 4.1282 7.8040 121.0587 54.5854 18.4432 177.1293 115 Y 4.9209 8.3575 112.8556 57.9674 39.1638 175.1056 116 I 5.3012 7.8872 112.4269 59.7922 41.4636 174.3002 117 T 4.8274 8.8882 115.4235 59.9942 70.9797 171.3897 118 P 3.6596 0.0000 0.0000 62.1127 32.0289 177.0337 119 V 3.6529 8.2065 122.4793 65.8592 31.6891 176.9627 120 N 4.5269 7.7297 115.9012 53.4349 39.0652 174.9789 121 S 4.1263 8.2259 114.9554 58.7898 62.9562 173.8296 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 8.29 4.31 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 60 E 8.63 4.04 0.00 2.19 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 2.25 2.39 0.00 61 N 8.98 4.90 0.00 2.85 2.77 0.00 0.00 7.07 8.50 0.00 0.00 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 8.38 4.48 0.00 2.72 2.80 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 0.00 0.00 0.00 63 P 0.00 4.29 0.00 2.08 2.13 0.00 3.67 0.00 0.00 3.82 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 5.09 0.00 3.11 3.10 0.00 0.00 5.90 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 8.04 4.85 0.00 1.84 1.69 1.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 66 F 9.51 5.45 0.00 2.91 2.97 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 67 V 8.85 5.06 2.10 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 0.82 0.00 0.00 1.02 0.00 0.00 68 A 8.98 4.73 1.41 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 0.00 0.00 0.00 69 L 9.12 4.00 0.00 1.54 1.10 1.03 0.67 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 70 Y 7.81 4.92 0.00 2.76 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 71 D 9.02 4.86 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 9.39 5.05 0.00 3.03 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 73 V 8.04 4.40 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 0.73 0.00 0.00 0.90 0.00 0.00 74 A 8.39 3.75 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.25 4.36 0.00 3.58 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.72 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 0.00 0.00 0.00 77 D 8.03 4.51 0.00 2.71 2.62 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 78 N 8.85 4.22 0.00 3.01 2.93 0.00 0.00 6.89 7.22 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 79 T 7.37 5.15 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 80 L 8.64 4.83 0.00 1.78 1.68 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.74 4.83 0.00 3.81 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 82 I 8.97 5.07 2.05 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.08 1.01 0.00 0.00 83 T 9.54 5.10 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 84 K 9.21 3.97 0.00 1.71 1.78 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.39 7.81 85 G 8.98 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 8.35 4.20 0.00 2.18 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 2.34 2.32 0.00 87 K 8.58 4.90 0.00 1.71 1.75 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.43 7.81 88 L 9.13 5.03 0.00 1.62 1.48 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.88 4.91 0.00 1.85 1.74 0.00 3.22 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 90 V 8.50 4.16 1.68 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 0.12 0.00 0.00 -0.17 0.00 0.00 91 L 8.81 4.42 0.00 1.42 1.56 0.83 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 92 G 7.19 4.08 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 0.00 93 Y 8.40 5.49 0.00 2.99 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 94 N 9.20 4.98 0.00 2.89 2.97 0.00 0.00 7.01 7.52 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 95 H 8.97 4.28 0.00 3.33 3.53 0.00 5.50 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 7.83 4.64 0.00 2.76 2.83 0.00 0.00 6.01 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 8.10 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 98 E 8.36 4.18 0.00 2.02 1.84 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 2.45 2.42 0.00 99 W 8.92 5.17 0.00 3.15 3.09 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 0.00 100 C 9.57 5.33 0.00 2.78 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 0.00 101 E 8.76 4.03 0.00 1.16 1.34 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 1.85 1.90 0.00 102 A 8.95 5.05 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 9.12 5.16 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.45 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 104 T 8.57 4.95 4.43 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 0.00 0.00 1.23 0.00 0.00 105 K 8.12 4.05 0.00 1.92 2.00 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.64 1.43 7.81 106 N 9.80 4.80 0.00 2.69 2.88 0.00 0.00 6.91 7.81 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 0.00 107 G 6.12 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 0.00 108 Q 8.85 4.98 0.00 1.83 1.85 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 2.16 2.27 0.00 109 G 7.65 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 0.00 0.00 0.00 0.00 110 W 8.25 5.43 0.00 3.40 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 9.30 4.85 1.85 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 0.90 0.00 0.00 0.90 0.00 0.00 112 P 0.00 3.65 0.00 1.53 0.60 0.00 2.33 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.58 0.00 113 S 8.56 4.02 0.00 3.91 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 0.00 114 A 7.80 4.13 1.28 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 0.00 0.00 0.00 115 Y 8.36 4.92 0.00 2.83 3.09 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 0.00 116 I 7.89 5.30 2.15 0.00 0.00 0.51 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 0.94 0.97 0.00 0.00 117 T 8.89 4.83 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 1.19 0.00 0.00 118 P 0.00 3.66 0.00 1.75 1.29 0.00 3.57 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.42 0.00 119 V 8.21 3.65 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 0.92 0.00 0.00 120 N 7.73 4.53 0.00 2.67 2.69 0.00 0.00 6.66 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 8.23 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