NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0977 8.1633 120.7172 55.1996 33.8648 173.8863 2 R 5.0067 9.1724 121.2451 52.1359 34.0031 169.7439 3 V 5.0342 8.6190 121.5003 60.1501 35.9315 173.7472 4 V 4.9209 8.9426 123.3525 61.4805 33.8853 174.0496 5 I 4.8953 9.1061 129.6992 59.8684 39.3794 174.6586 6 Q 5.1320 8.9862 126.3086 53.9993 31.6664 174.8054 7 R 4.5344 8.6325 124.5146 56.0440 31.5118 175.5838 8 V 5.0395 8.9751 118.6627 59.7909 35.8882 176.4055 9 K 4.1813 8.9594 122.0011 57.2025 32.6833 177.0913 10 G 4.6439 7.5679 107.7016 45.7872 0.0000 171.7388 11 A 5.1954 8.4289 121.4581 50.5145 23.3629 175.4653 12 I 4.7313 9.1496 122.8884 59.4487 40.5310 174.2276 13 L 5.0363 8.9905 130.5032 53.6005 43.7960 175.4215 14 S 5.3434 9.4873 122.5506 57.0380 66.8368 173.3571 15 V 4.8973 8.8811 116.8704 60.1050 36.7041 175.5002 16 R 4.2695 8.8198 125.1192 58.9129 29.4137 176.3843 17 K 3.6970 9.1565 128.6336 56.4056 30.8950 175.3430 *25 K 4.1067 8.9120 117.8507 55.6759 33.8685 178.8246 26 E 4.4329 8.6714 119.1187 55.3849 30.3091 171.9975 27 L 5.4456 7.8311 120.1274 54.4764 44.8609 176.1844 28 E 4.7275 9.4411 122.1899 54.4231 32.3690 172.5862 29 I 4.3643 8.5475 126.5698 60.8008 37.1042 175.8932 30 I 4.5854 8.8317 119.4025 60.8880 39.6791 175.6954 31 S 4.7818 7.8178 117.2141 57.3557 67.5987 172.5633 32 E 5.2898 8.3763 121.3064 55.3345 32.3918 174.1812 33 I 4.7450 8.7863 119.3479 58.2913 41.6535 175.3936 34 K 4.9833 8.8036 127.4872 55.8331 30.7168 178.3614 35 N 4.6679 8.5885 125.2543 53.5860 39.2708 175.2488 36 G 4.1625 6.9315 107.7562 45.9411 0.0000 170.7769 37 L 5.3215 8.1890 120.6691 52.9794 45.4126 175.5219 38 I 4.6048 8.3908 123.0296 59.5364 40.3124 173.9768 39 C 5.1196 8.8234 126.9389 57.9602 31.2048 173.2229 40 F 4.8735 9.2095 124.6601 56.7328 39.9154 174.7233 41 L 5.0846 9.5276 127.7966 53.3828 44.0481 175.0691 42 G 4.5723 9.7480 115.0719 44.7535 0.0000 171.8218 43 I 5.2085 8.7249 126.0415 59.9268 39.5469 175.0594 44 H 3.9073 9.5795 129.7963 55.5815 30.5431 176.9401 45 K 3.9500 7.7050 126.1051 57.0700 31.6025 178.4734 46 N 4.9798 8.1842 113.5424 53.2172 38.9051 174.6019 47 D 4.6955 7.7913 118.7770 54.4100 41.7169 175.9415 48 T 4.7776 9.1449 112.8767 59.0674 71.7203 174.9956 49 W 4.6870 9.0889 132.5874 61.2060 30.4614 178.1553 50 E 3.9673 8.1566 118.6849 61.0052 29.1227 182.9502 51 D 4.5157 8.1587 119.2686 57.1607 40.8497 178.5524 52 A 3.7832 7.9678 120.6700 55.2493 18.2433 179.4371 53 L 3.4380 7.2184 117.1949 57.7998 41.5715 179.1688 54 Y 3.9016 7.8501 119.3324 60.6887 38.7592 178.0385 55 I 3.6471 7.6510 120.5702 64.5780 37.1852 178.3345 56 I 3.1266 7.5660 120.5341 64.3052 36.8181 178.7241 57 R 3.7731 8.0611 119.0624 59.0775 29.7989 179.2939 58 K 3.7590 8.0616 118.5458 59.5822 31.8154 179.1096 59 C 4.1705 8.2126 115.9064 63.0912 27.6605 176.1117 60 L 4.1956 8.4420 120.5548 56.7778 40.9914 178.1802 61 N 4.9235 7.6783 113.1296 52.5257 40.4216 174.9728 62 L 4.0597 8.2395 120.4966 55.2250 42.3976 177.0383 63 R 4.7651 8.4822 123.0121 54.9957 28.6855 176.4310 64 L 4.8993 8.2476 118.0908 53.8851 43.1800 176.4849 65 W 4.6740 8.1726 119.5011 54.4587 31.8740 175.3479 66 N 4.8810 8.3541 118.7158 53.5290 38.7650 174.2258 67 N 5.0724 8.8097 121.0869 53.6757 39.4952 171.6478 68 D 4.0295 9.3521 119.6949 54.3536 36.8585 174.9237 69 N 4.3317 8.7417 120.8624 52.6235 36.6284 172.6877 70 K 4.7062 8.3448 118.8362 53.7357 33.6187 181.1520 71 T 5.4357 8.1091 111.7918 59.0164 71.6447 173.6619 72 W 4.0313 7.8079 119.8944 57.3277 26.6886 174.0778 73 D 4.9129 8.0814 116.5081 54.5811 43.5082 176.8738 74 K 5.0013 8.7222 117.7045 54.5186 35.6354 175.9986 75 N 5.7359 9.1754 121.3743 50.6645 40.0323 176.1242 76 V 3.2398 8.9254 118.2606 65.0647 30.9377 178.5380 77 K 3.5679 7.3688 115.5188 59.1438 31.7138 178.9372 78 D 4.3627 9.3436 118.7407 56.6008 40.7563 178.0547 79 L 4.1170 6.6480 115.4374 53.2305 42.1837 176.4015 80 N 4.6909 7.8871 114.6297 53.6665 36.6677 173.6663 81 Y 4.7788 7.5307 116.6155 58.3008 39.1275 174.6871 82 E 4.9731 8.9355 119.5007 55.0277 32.9090 175.4132 83 L 5.2298 8.8499 120.4411 52.9251 45.8668 175.5230 84 L 4.8954 8.8344 125.4272 53.4271 44.4502 174.8868 85 I 4.7439 8.5622 128.2080 59.6669 39.4063 174.8327 86 V 4.5918 8.4295 127.9594 60.5872 33.8568 175.0211 87 S 4.7606 8.6764 123.0113 59.0036 63.9291 174.5688 88 Q 4.5089 9.6616 124.4864 54.6969 29.9564 174.7715 89 F 4.5341 8.6845 120.7901 59.1115 38.6695 178.3905 90 T 3.6176 6.6139 110.3491 63.8699 68.5141 176.2038 91 L 3.9237 7.4816 121.4058 57.2858 41.5160 177.3604 92 F 4.8792 8.4815 117.5191 57.2797 40.1896 175.9873 93 G 3.6474 8.4690 108.3050 45.9023 0.0000 173.8537 94 N 4.8045 8.7400 127.2478 53.0546 39.0459 175.4119 95 T 4.5830 8.4470 114.1393 61.0273 70.0549 175.7631 96 K 4.1300 8.1615 122.5547 58.8275 32.1471 177.7428 97 K 4.4957 8.6183 114.6177 54.2323 33.2201 176.1671 98 G 4.1741 7.7355 106.4547 44.7263 0.0000 173.8223 99 N 4.6284 8.2138 116.0481 52.7072 37.3788 174.6981 100 K 4.4060 7.4588 118.7305 54.0598 34.1858 174.2574 101 P 4.8594 0.0000 0.0000 62.0003 32.2115 175.5753 102 D 4.5337 7.7356 118.2634 51.8685 42.4694 175.9007 103 F 5.4033 8.4849 122.2469 57.1312 39.8252 178.0103 *104 H 4.2627 8.4287 118.8005 57.2218 28.2330 178.7781 105 L 4.0885 7.9864 116.5902 57.0085 42.0395 176.6195 106 A 4.2331 7.7930 121.1588 51.2797 18.7552 177.6667 107 K 3.9859 8.6081 126.5174 56.8537 33.2949 177.1961 108 E 4.0341 8.7967 123.8469 56.4411 30.6026 175.4991 109 P 4.3802 0.0000 0.0000 65.6023 31.5772 178.4260 110 N 4.4131 8.3397 116.8096 57.1570 38.6068 177.7419 111 E 4.1125 8.2012 118.7583 60.9913 29.7525 181.0389 112 A 4.3385 8.6822 121.2907 55.2578 18.4402 179.3013 113 L 2.9365 7.7984 120.8565 58.6782 42.0284 179.8752 114 I 3.6919 7.2944 118.6746 65.0793 35.4929 179.3077 115 F 4.4934 8.2163 122.8024 61.5873 39.2146 176.4816 116 Y 4.2123 9.0254 119.3777 61.1148 38.7016 178.0576 117 N 4.4093 8.7671 119.8944 56.6694 38.5872 178.2226 118 K 4.0021 8.1166 125.3162 59.7467 31.6803 182.1378 119 I 3.8455 7.7109 121.1572 64.4022 37.1510 178.6583 120 I 3.7980 7.6771 120.5558 64.3216 36.7424 178.0843 121 D 4.3444 8.0473 118.6241 57.2735 41.0190 177.9059 122 E 3.9781 8.3999 119.9084 59.1509 29.7505 178.4808 123 F 4.1517 8.3634 118.1914 60.8235 38.4979 177.9677 124 K 4.1428 8.3011 119.8644 60.0824 31.6698 180.2589 125 K 4.2843 8.2181 123.0908 59.6840 31.7023 180.2341 126 Q 4.5853 8.3927 116.7051 56.3678 29.4355 175.4657 127 Y 4.8486 8.1665 117.5083 57.0340 40.3272 174.5946 128 N 4.6585 6.2267 113.5122 53.1911 43.4165 175.1167 129 D 4.3339 8.9878 125.0997 56.1541 39.8032 173.7927 130 D 4.6249 8.0665 115.1171 54.7373 41.6026 176.4900 131 K 4.3055 7.9424 117.2137 57.0146 33.5674 175.6777 132 I 4.6786 7.5575 121.2960 59.6038 38.7847 175.0793 133 K 4.8043 8.9023 127.1604 54.6392 35.3406 175.2989 134 I 5.2965 7.5417 114.2841 58.8300 41.2240 174.2128 135 G 4.0697 8.4963 110.8196 44.4177 0.0000 173.4681 136 K 4.3446 8.2781 122.3018 54.0246 31.9122 175.8290 137 F 3.9154 8.7572 127.4238 59.8670 39.4491 175.6763 138 G 3.7298 8.0627 114.5973 45.6783 0.0000 172.5806 139 N 5.0423 7.6928 116.2485 50.7946 41.0755 174.1448 140 Y 4.1394 8.4631 121.6871 58.3087 39.5010 175.3172 141 M 4.8828 6.9777 124.2140 53.4505 36.5460 173.8530 142 N 4.7987 9.1087 120.7444 51.8811 41.6651 173.2265 143 I 4.7289 8.3152 126.7431 59.5635 39.9244 174.9766 144 D 4.6469 8.9335 128.9431 53.7060 41.7073 175.9361 145 V 4.6994 8.4034 123.5688 61.3980 34.4528 175.3330 146 T 4.4365 8.7181 125.1223 61.9728 69.0081 173.1865 147 N 4.8329 8.6214 124.1854 53.3086 39.3648 174.9298 148 D 4.2835 10.4589 125.2741 53.1566 40.5794 174.7928 149 G 4.0743 8.5023 117.7894 44.9551 0.0000 169.6851 150 P 4.3627 0.0000 0.0000 61.1842 32.8977 176.2788 151 V 4.4155 8.1238 118.7739 61.7423 34.1815 174.0383 152 T 5.2264 8.6739 124.6776 61.8143 70.9361 173.8074 153 I 4.6435 9.0599 127.2769 59.5301 40.5305 173.8759 154 Y 5.2649 8.6809 126.7271 55.8961 41.5645 174.6593 155 I 4.4161 7.7379 125.8346 59.4412 41.7389 173.4727 156 D 5.2173 8.3288 126.4541 52.5049 43.0506 176.3163 157 T 4.0648 9.0529 116.6894 63.4703 68.9239 175.1113 158 H 4.6071 8.8567 119.2656 56.8708 29.3506 175.0574 159 D 4.5153 7.9132 124.7827 54.4663 40.6911 176.1075 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 1 M 8.16 5.10 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.17 5.01 0.00 1.37 1.68 0.00 2.21 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 3 V 8.62 5.03 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 0.69 0.00 0.00 1.05 0.00 0.00 4 V 8.94 4.92 2.29 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 1.17 0.00 0.00 1.11 0.00 0.00 5 I 9.11 4.90 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.51 0.92 0.00 0.00 6 Q 8.99 5.13 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.48 2.67 0.00 7 R 8.63 4.53 0.00 1.67 1.79 0.00 2.21 0.00 0.00 2.52 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.83 0.00 8 V 8.98 5.04 2.34 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 0.74 0.00 0.00 0.97 0.00 0.00 9 K 8.96 4.18 0.00 1.64 1.83 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.40 7.81 10 G 7.57 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.43 5.20 1.17 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 0.00 0.00 12 I 9.15 4.73 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 1.10 0.91 0.91 0.00 0.00 13 L 8.99 5.04 0.00 1.66 1.61 0.89 0.61 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 14 S 9.49 5.34 0.00 3.76 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 15 V 8.88 4.90 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 0.77 0.00 0.00 0.97 0.00 0.00 16 R 8.82 4.27 0.00 1.60 1.74 0.00 3.28 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 17 K 9.16 3.70 0.00 1.78 1.51 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.40 1.27 7.81 *25 K 8.91 4.11 0.00 1.79 1.69 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 26 E 8.67 4.43 0.00 1.89 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 2.29 1.89 0.00 27 L 7.83 5.45 0.00 1.51 1.61 1.00 1.01 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 28 E 9.44 4.73 0.00 1.59 1.80 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 2.14 2.13 0.00 29 I 8.55 4.36 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.95 0.91 0.00 0.00 30 I 8.83 4.59 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 1.24 0.68 0.99 0.00 0.00 31 S 7.82 4.78 0.00 3.74 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 32 E 8.38 5.29 0.00 1.92 1.75 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 2.18 2.42 0.00 33 I 8.79 4.74 1.84 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 1.19 1.11 0.88 0.00 0.00 34 K 8.80 4.98 0.00 1.77 1.22 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.36 7.81 35 N 8.59 4.67 0.00 1.44 1.66 0.00 0.00 6.68 7.58 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 36 G 6.93 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.19 5.32 0.00 1.66 1.58 1.09 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.39 4.60 1.75 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 1.45 0.89 0.00 0.00 39 C 8.82 5.12 0.00 2.78 2.83 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 40 F 9.21 4.87 0.00 2.98 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 41 L 9.53 5.08 0.00 1.88 1.83 1.21 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.75 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 0.00 0.00 0.00 0.00 43 I 8.72 5.21 2.12 0.00 0.00 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 1.69 1.17 1.09 0.00 0.00 44 H 9.58 3.91 0.00 2.92 3.38 0.00 5.59 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.71 3.95 0.00 1.84 1.72 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.29 7.81 46 N 8.18 4.98 0.00 2.68 2.82 0.00 0.00 6.94 8.06 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 47 D 7.79 4.70 0.00 2.75 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 9.14 4.78 4.37 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 0.00 0.00 0.00 1.26 0.00 0.00 49 W 9.09 4.69 0.00 3.53 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 50 E 8.16 3.97 0.00 1.99 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 2.24 2.22 0.00 51 D 8.16 4.52 0.00 3.00 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 52 A 7.97 3.78 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.22 3.44 0.00 1.62 1.52 0.88 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.85 3.90 0.00 3.00 3.03 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 0.00 0.00 0.00 55 I 7.65 3.65 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.71 0.98 0.00 0.00 56 I 7.57 3.13 1.51 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.19 0.37 0.00 0.00 57 R 8.06 3.77 0.00 1.84 1.76 0.00 3.18 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 58 K 8.06 3.76 0.00 1.70 1.71 0.00 1.50 0.00 0.00 1.39 0.00 0.00 2.46 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.67 1.09 7.81 59 C 8.21 4.17 0.00 3.34 3.20 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 0.00 60 L 8.44 4.20 0.00 1.71 1.63 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.68 4.92 0.00 2.76 2.78 0.00 0.00 7.04 7.95 0.00 0.00 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 8.24 4.06 0.00 1.74 1.63 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.48 4.77 0.00 2.05 2.12 0.00 3.12 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.89 0.00 64 L 8.25 4.90 0.00 0.90 1.36 0.80 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.17 4.67 0.00 3.42 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 66 N 8.35 4.88 0.00 2.70 2.74 0.00 0.00 6.42 6.92 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 67 N 8.81 5.07 0.00 2.56 2.79 0.00 0.00 7.18 8.22 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 68 D 9.35 4.03 0.00 2.75 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 69 N 8.74 4.33 0.00 2.89 2.81 0.00 0.00 6.70 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 70 K 8.34 4.71 0.00 1.61 1.69 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 1.22 7.81 71 T 8.11 5.44 3.99 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 1.20 0.00 0.00 72 W 7.81 4.03 0.00 3.44 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.08 4.91 0.00 2.68 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 74 K 8.72 5.00 0.00 1.87 1.65 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.45 7.81 75 N 9.18 5.74 0.00 3.10 3.24 0.00 0.00 6.60 7.28 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 76 V 8.93 3.24 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.10 0.00 0.00 77 K 7.37 3.57 0.00 1.73 1.60 0.00 1.37 0.00 0.00 1.27 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 0.71 7.81 78 D 9.34 4.36 0.00 2.47 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 79 L 6.65 4.12 0.00 0.27 0.13 -0.14 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.89 4.69 0.00 2.78 2.94 0.00 0.00 6.99 7.02 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 81 Y 7.53 4.78 0.00 2.67 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 82 E 8.94 4.97 0.00 1.92 1.83 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 2.22 2.28 0.00 83 L 8.85 5.23 0.00 1.44 1.29 1.12 0.65 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 84 L 8.83 4.90 0.00 1.65 1.39 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.56 4.74 1.84 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.29 1.00 0.00 0.00 86 V 8.43 4.59 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 0.89 0.00 0.00 0.77 0.00 0.00 87 S 8.68 4.76 0.00 3.89 3.28 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 88 Q 9.66 4.51 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 89 F 8.68 4.53 0.00 3.30 3.27 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 0.00 90 T 6.61 3.62 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 0.23 0.00 0.00 91 L 7.48 3.92 0.00 1.57 1.49 1.05 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.48 4.88 0.00 3.37 3.19 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 93 G 8.47 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.74 4.80 0.00 2.80 2.87 0.00 0.00 6.34 6.76 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 95 T 8.45 4.58 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 1.15 0.00 0.00 96 K 8.16 4.13 0.00 1.93 1.91 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.37 7.81 97 K 8.62 4.50 0.00 1.79 1.84 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.37 7.81 98 G 7.74 4.17 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 0.00 0.00 0.00 99 N 8.21 4.63 0.00 2.81 2.92 0.00 0.00 5.63 7.13 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 0.00 100 K 7.46 4.41 0.00 1.75 1.68 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.39 7.81 101 P 0.00 4.86 0.00 1.57 1.72 0.00 3.74 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 102 D 7.74 4.53 0.00 2.72 2.58 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 0.00 103 F 8.48 5.40 0.00 3.19 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 *104 H 8.43 4.26 0.00 2.93 3.00 0.00 7.20 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.99 4.09 0.00 1.79 1.53 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.79 4.23 1.47 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 0.00 107 K 8.61 3.99 0.00 1.85 1.76 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.33 7.81 108 E 8.80 4.03 0.00 1.70 1.83 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 2.32 1.92 0.00 109 P 0.00 4.38 0.00 2.18 2.19 0.00 3.55 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 2.06 2.08 0.00 110 N 8.34 4.41 0.00 2.75 2.86 0.00 0.00 7.21 7.66 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 0.00 111 E 8.20 4.11 0.00 1.97 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 2.32 1.95 0.00 112 A 8.68 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.80 2.94 0.00 1.19 1.65 0.31 0.78 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 0.00 114 I 7.29 3.69 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 1.41 0.56 0.91 0.00 0.00 115 F 8.22 4.49 0.00 3.30 3.45 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 0.00 116 Y 9.03 4.21 0.00 3.31 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 0.00 117 N 8.77 4.41 0.00 2.97 2.85 0.00 0.00 7.17 7.74 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 0.00 118 K 8.12 4.00 0.00 1.77 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 119 I 7.71 3.85 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.38 0.88 0.00 0.00 120 I 7.68 3.80 1.90 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.12 0.90 0.00 0.00 121 D 8.05 4.34 0.00 3.00 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 0.00 122 E 8.40 3.98 0.00 2.41 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 123 F 8.36 4.15 0.00 3.29 3.04 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 0.00 0.00 0.00 0.00 124 K 8.30 4.14 0.00 2.04 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 125 K 8.22 4.28 0.00 1.84 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.36 7.81 126 Q 8.39 4.59 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 127 Y 8.17 4.85 0.00 3.01 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 0.00 128 N 6.23 4.66 0.00 2.58 1.77 0.00 0.00 7.55 8.37 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 0.00 129 D 8.99 4.33 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.62 0.00 2.54 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.94 4.31 0.00 0.98 1.57 0.00 1.77 0.00 0.00 1.52 0.00 0.00 2.70 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.91 0.66 7.81 132 I 7.56 4.68 1.84 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.93 0.79 0.00 0.00 133 K 8.90 4.80 0.00 1.73 1.66 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.22 7.81 134 I 7.54 5.30 2.10 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.63 0.95 0.00 0.00 135 G 8.50 4.07 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 0.00 0.00 0.00 136 K 8.28 4.34 0.00 1.82 1.74 0.00 1.79 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.45 7.81 137 F 8.76 3.92 0.00 2.94 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 0.00 138 G 8.06 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 0.00 0.00 0.00 139 N 7.69 5.04 0.00 2.92 2.77 0.00 0.00 6.84 7.07 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 0.00 140 Y 8.46 4.14 0.00 2.96 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 0.00 141 M 6.98 4.88 0.00 1.74 1.69 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 142 N 9.11 4.80 0.00 2.87 2.68 0.00 0.00 7.05 7.83 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 0.00 143 I 8.32 4.73 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.76 0.91 0.00 0.00 144 D 8.93 4.65 0.00 2.62 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 0.00 145 V 8.40 4.70 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 0.90 0.00 0.00 1.00 0.00 0.00 146 T 8.72 4.44 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 1.21 0.00 0.00 147 N 8.62 4.83 0.00 2.62 2.78 0.00 0.00 6.95 8.06 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 0.00 148 D 10.46 4.28 0.00 2.65 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 0.00 149 G 8.50 4.07 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 0.00 0.00 0.00 150 P 0.00 4.36 0.00 2.07 2.00 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 151 V 8.12 4.42 1.99 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 1.16 0.00 0.00 0.89 0.00 0.00 152 T 8.67 5.23 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 1.26 0.00 0.00 153 I 9.06 4.64 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.97 0.91 0.00 0.00 154 Y 8.68 5.26 0.00 2.92 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 0.00 155 I 7.74 4.42 1.77 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.48 1.00 0.00 0.00 156 D 8.33 5.22 0.00 2.69 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 0.00 157 T 9.05 4.06 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 1.27 0.00 0.00 158 H 8.86 4.61 0.00 3.27 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.91 4.52 0.00 2.87 2.57 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 0.00 * Residues marked with a * may have inaccurate shift predictions.