NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 75 K 4.4452 8.1200 119.5298 55.9440 34.1595 177.3513 76 E 3.6994 8.6136 121.8269 58.9449 29.3437 176.2083 77 N 4.2658 8.9363 117.9114 56.8869 39.1140 176.0309 78 E 4.0767 8.0991 119.3663 59.2146 29.7114 179.0894 79 I 3.8295 8.4073 120.3780 64.1695 37.1293 178.5366 80 L 3.9753 8.1546 120.0288 57.9552 41.5260 179.7305 81 R 4.0069 7.9417 117.8584 59.1282 29.9224 179.2134 82 R 3.9058 8.1398 118.6770 59.4002 29.9103 178.1896 83 E 3.9867 7.9840 118.0262 59.2534 29.6756 178.4677 84 L 4.2459 7.9021 118.2944 57.7678 41.7488 178.8613 85 D 4.5695 8.0590 118.0119 57.1144 41.1148 180.3348 86 R 4.0620 7.7527 120.3298 55.7490 30.3535 176.9575 *88 R 4.1760 7.7576 110.4850 55.2887 31.0880 174.9052 89 V 4.0375 7.5018 117.2409 61.2701 32.6136 173.9918 90 P 4.4903 0.0000 0.0000 61.9184 31.8430 174.3284 91 P 4.5436 0.0000 0.0000 62.5643 32.2358 175.5148 92 L 4.9465 8.0826 119.3200 53.0378 45.0492 175.9759 93 I 4.1837 8.5693 123.3440 60.7119 38.8457 175.1103 94 V 4.4358 8.3631 126.2515 62.2345 33.2369 174.9406 95 G 4.5830 9.3321 114.0289 45.0676 0.0000 170.8109 96 T 5.2154 8.5631 115.3876 61.2659 72.0753 174.3295 97 V 3.9803 8.8226 127.2286 63.5481 32.1891 176.2141 98 V 3.9112 9.0646 128.8490 64.6279 32.1920 175.5049 99 D 4.6907 7.6137 117.1852 53.4196 45.1640 174.8039 100 K 4.6025 8.6527 120.9806 55.9803 33.1440 177.3632 101 V 4.3910 8.4212 113.7808 60.9780 33.5647 175.2384 102 G 4.0973 7.6583 106.4772 44.3139 0.0000 171.8825 103 E 4.0950 8.9819 119.3971 59.2273 29.7494 178.9525 104 R 4.8780 7.6752 115.7956 55.7319 31.0204 174.6566 105 K 5.1789 8.0326 116.9282 54.9350 36.6896 177.0355 106 V 4.9323 8.7357 115.7559 59.9291 36.9593 173.9848 107 V 4.7290 8.9535 123.1059 61.6683 33.2715 175.0865 108 V 4.8659 8.7658 120.6787 59.4139 35.7115 174.6884 109 K 4.6307 9.2306 126.7389 55.0768 33.1268 175.7212 110 S 4.8035 8.9013 123.9831 58.0196 63.1374 175.3727 111 S 4.2337 8.5245 120.9646 60.7666 62.9208 175.4147 112 T 3.9950 8.0299 111.1544 62.3934 68.2384 173.4481 113 G 3.7663 7.3260 114.4869 45.3794 0.0000 173.6335 114 P 4.4524 0.0000 0.0000 61.5551 32.7362 175.2363 115 S 5.2355 7.8911 114.0222 57.0440 65.0046 173.8664 116 F 4.9442 8.8966 120.8769 55.8033 43.6729 173.3868 117 L 4.9227 8.6933 123.9545 54.2673 42.8775 175.8924 118 V 4.6816 8.8385 118.9950 59.5267 36.4297 174.5095 119 N 5.1557 8.5978 118.7362 52.8026 40.4212 174.4813 120 V 4.5507 8.3734 123.3176 61.1415 32.5753 175.9800 121 S 4.5341 8.8898 123.5245 58.2758 63.8602 175.2366 122 H 4.2374 8.7647 115.9003 58.0060 28.4408 176.7989 123 F 4.3064 7.6491 118.1597 59.2852 39.0105 175.0829 124 V 4.2607 7.4034 120.4216 60.7008 32.9661 174.5175 125 N 4.6153 8.6026 125.8923 51.9691 39.0239 173.6789 126 P 4.2371 0.0000 0.0000 65.5535 31.4268 177.9445 127 D 4.3722 8.1747 117.4583 56.7929 41.2666 176.1764 128 D 4.6355 8.1321 117.1141 54.6529 41.2162 176.0105 129 L 4.5707 7.4188 119.8615 53.3296 43.2593 175.8058 130 A 4.4445 8.1163 122.1449 50.3052 21.7343 173.9145 131 P 4.5152 0.0000 0.0000 64.8759 31.4187 175.6120 132 G 4.0491 9.1827 110.3044 45.1551 0.0000 174.0527 133 K 3.9700 8.1837 121.7909 56.9294 33.2824 176.3678 134 R 4.7380 8.6252 126.2156 56.2181 31.5942 175.8713 135 V 4.9381 9.0620 115.8175 60.0077 36.9781 173.8352 136 C 5.0943 9.2069 120.3204 58.3525 30.0866 172.9406 137 L 5.2248 8.9917 124.3211 52.4418 44.4216 175.6472 138 N 4.7122 8.9419 122.5401 53.7832 39.4704 176.0055 139 Q 4.0788 8.9035 123.1749 58.3785 29.1344 176.9137 140 Q 4.3707 8.9391 117.4264 56.6270 29.8420 176.2457 141 T 4.3646 7.6653 103.7460 60.0896 70.0143 174.0649 142 L 3.6427 8.1132 120.5600 55.6711 39.9877 174.3317 143 T 4.0711 7.3099 114.4228 62.1793 68.7356 173.4726 144 V 4.2248 8.7717 128.7718 63.2059 32.0921 176.4042 145 V 4.5914 8.5587 120.6767 60.3869 33.1926 174.9837 146 D 4.5361 7.6158 118.3068 53.4961 44.5203 173.9139 147 V 4.6747 8.4127 122.2570 61.1186 33.7093 174.7609 148 L 4.7612 8.5066 127.4994 52.5004 43.6244 175.0340 149 P 4.3991 0.0000 0.0000 63.1497 31.5475 176.1396 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 75 K 8.12 4.45 0.00 1.84 2.03 0.00 1.94 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.40 7.81 76 E 8.61 3.70 0.00 2.10 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 2.38 2.42 0.00 77 N 8.94 4.27 0.00 2.79 2.80 0.00 0.00 7.18 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 78 E 8.10 4.08 0.00 2.24 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 2.40 2.46 0.00 79 I 8.41 3.83 2.01 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 1.53 0.74 0.91 0.00 0.00 80 L 8.15 3.98 0.00 1.83 1.69 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.94 4.01 0.00 1.91 2.03 0.00 3.23 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 82 R 8.14 3.91 0.00 1.98 2.19 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 83 E 7.98 3.99 0.00 2.14 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 0.00 2.33 2.41 0.00 84 L 7.90 4.25 0.00 1.97 1.89 0.78 0.82 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 85 D 8.06 4.57 0.00 2.88 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 86 R 7.75 4.06 0.00 1.83 2.16 0.00 3.62 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 *88 R 7.76 4.18 0.00 1.81 1.97 0.00 2.21 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.33 0.00 89 V 7.50 4.04 2.06 0.00 0.00 0.00 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 0.96 0.00 0.00 90 P 0.00 4.49 0.00 2.06 1.96 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 91 P 0.00 4.54 0.00 2.16 2.03 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 92 L 8.08 4.95 0.00 1.49 1.65 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.57 4.18 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.87 0.90 0.00 0.00 94 V 8.36 4.44 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 0.97 0.00 0.00 0.93 0.00 0.00 95 G 9.33 4.58 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 0.00 0.00 0.00 96 T 8.56 5.22 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 1.24 0.00 0.00 97 V 8.82 3.98 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.97 0.00 0.00 98 V 9.06 3.91 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 0.82 0.00 0.00 0.95 0.00 0.00 99 D 7.61 4.69 0.00 2.60 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.65 4.60 0.00 1.75 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 101 V 8.42 4.39 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 0.70 0.00 0.00 0.94 0.00 0.00 102 G 7.66 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 0.00 103 E 8.98 4.09 0.00 1.92 2.01 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 2.30 2.42 0.00 104 R 7.68 4.88 0.00 1.74 2.00 0.00 3.11 0.00 0.00 3.33 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 105 K 8.03 5.18 0.00 1.66 1.65 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.44 7.81 106 V 8.74 4.93 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 0.72 0.00 0.00 0.96 0.00 0.00 107 V 8.95 4.73 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 0.98 0.00 0.00 0.95 0.00 0.00 108 V 8.77 4.87 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 0.66 0.00 0.00 1.01 0.00 0.00 109 K 9.23 4.63 0.00 1.80 1.73 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.40 7.81 110 S 8.90 4.80 0.00 4.09 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 0.00 111 S 8.52 4.23 0.00 3.98 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.03 4.00 4.30 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 1.22 0.00 0.00 113 G 7.33 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.45 0.00 1.66 2.06 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.06 0.00 115 S 7.89 5.24 0.00 3.77 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 0.00 116 F 8.90 4.94 0.00 2.92 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 0.00 117 L 8.69 4.92 0.00 1.67 1.63 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.84 4.68 2.15 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 0.82 0.00 0.00 1.00 0.00 0.00 119 N 8.60 5.16 0.00 2.65 2.72 0.00 0.00 6.34 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 0.00 120 V 8.37 4.55 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 0.80 0.00 0.00 0.95 0.00 0.00 121 S 8.89 4.53 0.00 3.95 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 0.00 122 H 8.76 4.24 0.00 3.18 3.32 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.65 4.31 0.00 3.05 2.98 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 0.00 124 V 7.40 4.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.05 0.00 0.00 125 N 8.60 4.62 0.00 2.85 3.01 0.00 0.00 6.95 7.71 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 0.00 126 P 0.00 4.24 0.00 2.26 2.32 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 127 D 8.17 4.37 0.00 2.66 2.74 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 0.00 128 D 8.13 4.64 0.00 2.81 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 0.00 129 L 7.42 4.57 0.00 1.81 1.59 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.12 4.44 1.21 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 0.00 0.00 0.00 131 P 0.00 4.52 0.00 2.19 2.32 0.00 3.74 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 2.00 2.00 0.00 132 G 9.18 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 0.00 133 K 8.18 3.97 0.00 2.05 1.72 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.49 7.81 134 R 8.63 4.74 0.00 1.78 1.83 0.00 3.29 0.00 0.00 3.47 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 135 V 9.06 4.94 2.15 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 0.73 0.00 0.00 0.96 0.00 0.00 136 C 9.21 5.09 0.00 2.81 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.99 5.22 0.00 1.49 1.51 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 138 N 8.94 4.71 0.00 2.77 2.67 0.00 0.00 6.79 7.90 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 0.00 139 Q 8.90 4.08 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 140 Q 8.94 4.37 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 141 T 7.67 4.36 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 1.19 0.00 0.00 142 L 8.11 3.64 0.00 1.62 1.63 -0.27 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 143 T 7.31 4.07 4.24 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 1.24 0.00 0.00 144 V 8.77 4.22 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 0.90 0.00 0.00 0.95 0.00 0.00 145 V 8.56 4.59 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 1.14 0.00 0.00 0.96 0.00 0.00 146 D 7.62 4.54 0.00 2.70 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 0.00 0.00 0.00 0.00 147 V 8.41 4.67 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 0.93 0.00 0.00 0.94 0.00 0.00 148 L 8.51 4.76 0.00 1.56 1.56 0.92 0.89 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 0.00 149 P 0.00 4.40 0.00 2.17 2.02 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.