NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 P 4.3188 0.0000 0.0000 62.5007 32.8051 176.8202 13 K 4.0454 7.5590 121.5094 57.1385 32.8661 174.4369 14 E 3.9380 8.7902 119.1549 59.1871 29.8121 178.5060 15 L 3.2723 7.4022 119.3583 57.1523 41.5703 178.9921 16 V 3.5746 6.4395 117.5252 66.4019 31.4608 177.4484 17 N 4.2222 7.5141 114.4831 56.4709 38.4233 176.7262 18 E 3.8752 7.5065 118.8205 59.2101 29.7193 178.4653 19 W 4.5857 8.1135 118.8318 60.5436 29.1569 178.4367 20 S 4.1532 8.6775 114.8617 61.9374 62.2764 176.8906 21 L 4.0391 7.9360 120.7551 57.9399 41.3876 179.7127 22 K 3.9307 8.4712 118.4422 59.6704 32.0967 179.0500 23 I 3.6927 8.3515 120.0724 64.7715 36.8221 178.3677 24 R 3.9247 8.8249 119.8764 59.3352 29.7026 178.4562 25 K 3.9774 8.4274 119.8657 59.5574 32.1463 178.6719 26 E 3.9782 8.5514 119.2117 59.6398 29.2469 179.0203 27 M 4.0222 8.0798 118.7540 58.6603 32.0081 179.0938 28 R 3.9070 7.7528 117.6957 59.1117 30.2071 179.1099 29 V 3.5579 7.5197 118.2011 66.0175 31.4891 178.1982 30 V 3.5197 7.9723 118.1212 66.0590 31.2892 177.5709 31 D 4.2246 8.3281 118.9272 57.3644 40.7442 178.6121 32 R 3.8583 8.3416 119.3881 59.8556 30.0472 178.5282 33 Q 3.9968 8.4096 117.9333 58.9089 28.5954 178.9567 34 I 3.6018 7.6367 120.9092 64.3398 37.2301 178.2929 35 R 3.8680 8.1612 119.8769 59.5328 29.6534 178.3317 36 D 4.2669 8.0659 118.4782 57.4142 40.9902 178.3535 37 I 3.6706 7.6720 120.2142 64.9224 37.1867 178.4571 38 Q 3.9920 8.2732 118.4939 58.9887 27.3687 178.6717 39 R 4.6875 7.8047 120.8292 58.9049 30.0449 178.1331 40 E 4.2790 8.4873 119.5625 59.0093 29.5396 178.5456 41 E 4.0186 8.2420 118.8979 59.0008 29.4825 178.6836 42 E 3.9326 8.2381 118.9253 59.6564 29.5579 179.8928 43 K 3.9033 7.4348 118.0670 59.5987 32.2122 179.4544 44 V 3.5734 7.6539 118.3638 65.9953 31.2467 177.7973 45 K 3.8700 8.3295 119.4324 59.6366 31.9620 178.9788 46 R 3.8839 8.0103 118.0966 59.3065 30.0186 179.0007 47 S 4.0868 8.0646 114.3961 61.7863 62.8198 176.5381 48 V 3.5770 7.9779 120.8773 66.2128 31.1273 178.1040 49 K 3.9159 8.0055 117.6876 59.5833 31.9793 178.6830 50 D 4.3549 8.4177 119.1685 57.7425 40.8519 179.1121 51 A 4.0042 8.6228 120.8631 54.9884 18.2999 179.4818 52 A 3.8864 8.1590 119.3931 55.5068 18.3379 180.0557 53 K 4.0888 8.2908 115.7259 59.0230 32.1161 178.6875 54 K 4.4499 7.9154 116.3827 55.3110 32.1762 177.1098 55 G 3.9434 8.2795 106.8718 46.6837 0.0000 176.1684 56 Q 4.2944 7.7706 120.9430 54.3264 26.5768 176.5871 57 K 3.9140 8.2362 123.9140 59.6453 32.5848 178.0323 58 D 4.3850 8.1388 118.3666 57.4378 40.6607 179.0437 59 V 3.6056 7.7439 118.1564 66.0831 31.5899 177.7383 60 C 4.1118 7.8732 115.9144 62.8872 28.0271 175.8512 61 I 3.6726 8.0084 121.7394 64.5864 36.5194 178.3908 62 V 3.5694 7.5492 117.0750 66.1533 31.7226 177.4917 63 L 4.0908 8.3657 118.7068 57.7522 41.4246 179.1090 64 A 3.9972 8.3877 120.9892 55.6398 18.2349 179.7670 65 K 3.8192 8.2096 116.3745 59.6824 32.0850 179.0413 66 E 3.9105 8.2130 119.5377 59.3782 29.3834 178.6933 67 M 3.9808 8.2122 118.5542 58.4934 32.3491 177.7966 68 I 3.6597 7.8148 112.8160 64.4162 37.3727 177.3358 69 R 3.8580 8.1090 121.1793 59.0629 29.7588 178.3544 70 S 4.0947 8.0121 114.3695 61.7224 62.8153 176.6385 71 R 3.9367 8.2358 120.9178 59.5067 29.8134 179.1552 72 K 3.9171 8.3454 117.9099 59.3622 32.1655 179.1129 73 A 3.9650 8.0894 120.9989 55.3206 18.2864 179.8947 74 V 3.4877 8.3848 116.9642 66.0309 31.5238 177.9088 75 S 4.1965 8.3847 113.1472 61.5796 62.2868 175.8616 76 K 3.7739 8.3441 122.2875 59.7017 31.6475 178.6667 77 L 3.9318 7.7455 118.5937 58.1009 41.6003 178.9456 78 Y 4.1551 8.2845 116.7790 60.9892 37.7720 178.4966 79 A 3.9924 8.8468 122.1025 55.4363 18.4419 179.6074 80 S 4.1635 8.1302 113.4868 61.9133 62.9700 176.8752 81 K 3.9128 8.3638 122.0754 59.6186 31.7592 178.2934 82 A 3.9334 8.2129 120.9259 55.3924 18.3168 178.9326 83 H 4.0489 8.1754 114.0325 59.5610 28.9520 177.4860 84 M 4.0501 8.4823 120.3852 58.7951 31.7570 178.7372 85 N 4.4156 8.1075 116.3389 56.0542 38.6091 177.1459 86 S 4.1169 8.3812 115.1414 61.7396 62.4023 176.6676 87 V 3.5737 7.9497 120.5741 65.7722 31.2712 177.6593 88 L 3.9650 8.4456 120.4620 58.5577 41.9530 178.3681 89 M 4.0864 8.8986 119.1144 58.7098 31.9742 178.7901 90 G 4.0791 8.5422 105.6200 48.5947 0.0000 175.3975 91 M 4.1931 8.0954 120.6232 57.9401 31.7602 178.6409 92 K 3.9501 7.8288 118.7258 59.6634 32.3012 177.7715 93 N 4.3625 8.6717 117.4958 57.1230 38.3612 176.5126 94 Q 4.0901 8.7456 119.3539 59.3210 28.6484 179.6602 95 L 3.8060 7.5310 118.7896 58.0290 41.7595 179.1164 96 A 4.3619 9.0308 119.9931 53.7856 19.7261 179.1745 97 V 4.1344 7.2113 116.8424 61.5638 29.0882 172.7246 98 L 3.7572 7.6750 120.8167 54.0406 41.3650 177.0203 *103 S 4.3994 8.0700 122.5143 58.2353 63.5187 174.1152 104 L 4.5569 8.3022 125.3164 54.8433 44.7365 175.5209 105 Q 4.5194 8.7058 125.7444 54.1504 30.7475 176.3020 106 K 4.2837 8.2691 124.4163 55.8893 30.5052 177.2598 107 S 4.3808 8.0515 122.7444 59.2289 61.0171 175.2416 108 T 3.8480 8.2301 118.2138 64.0158 68.0006 175.3594 109 E 3.7845 8.0778 121.5856 60.1470 29.9338 178.3763 110 V 3.9053 7.8170 108.3461 62.4012 31.5829 177.6835 111 M 4.0532 7.8562 120.6185 58.3313 31.9249 178.4579 112 K 4.1203 7.6692 117.9323 58.8292 32.1926 179.5306 113 A 4.0156 7.8188 121.1376 55.1692 18.3001 178.4779 114 M 4.1192 7.2949 111.3511 56.3012 32.1144 176.1593 115 Q 4.4086 7.5228 118.7783 56.3194 30.7792 176.1946 116 S 4.5039 7.6686 110.2502 58.1399 63.9736 174.4973 117 L 4.2772 7.5901 122.9063 57.0000 42.4929 177.9195 118 V 4.2631 7.5571 111.1403 61.0923 31.0901 176.1875 119 K 4.6051 8.1959 117.9249 56.3017 32.1142 176.6345 120 I 4.4211 7.3590 120.3018 61.3690 39.5383 175.9347 121 P 4.8620 0.0000 0.0000 67.4499 31.7455 177.6761 122 E 4.1288 8.1635 116.5359 58.9610 29.3741 178.1439 123 I 4.0724 7.6887 110.6459 61.9588 38.9695 177.6259 124 Q 3.7418 9.4756 123.7638 59.0950 28.7201 178.4243 125 A 4.0217 7.7002 120.5413 53.9212 17.6317 179.1400 126 T 3.7628 8.2623 103.6193 65.0049 69.8895 177.7464 127 M 3.5513 8.1134 121.0172 56.8367 32.2411 179.2041 128 R 3.5823 7.8724 119.1302 59.1111 30.1071 177.9087 129 E 4.1429 9.5449 119.0965 58.6463 29.7540 178.2262 130 L 3.9798 7.6055 118.6621 57.7296 41.7156 179.0464 131 S 3.8834 8.7171 113.7426 61.0691 62.0528 176.3644 132 K 3.8548 7.5092 121.2085 59.6040 31.8870 178.4019 133 E 4.0089 7.8556 117.4509 60.1688 29.2115 179.4447 134 M 3.9128 7.9683 118.5095 58.4354 31.9490 178.3060 135 M 4.4912 7.8335 118.8961 56.2793 32.4415 178.1677 136 K 3.7754 8.4692 115.0072 58.5227 32.1542 176.7740 137 A 4.9526 9.0664 117.0015 51.2162 21.5043 178.0419 138 G 3.8775 7.5115 113.9923 45.6607 0.0000 175.0938 139 I 3.9137 8.5548 119.6674 61.4294 38.7835 178.1132 140 I 4.1323 7.4790 119.4710 61.5486 36.3109 179.1693 *157 M 4.1661 8.6982 134.7536 56.5432 31.3333 173.9113 158 E 4.4672 8.3269 128.7260 56.8146 30.4462 178.1933 159 E 4.2140 8.1410 120.3499 57.6442 30.5086 176.6998 160 E 4.2951 8.0136 116.6464 56.6525 29.7827 176.8300 161 A 4.3060 7.4133 120.3517 52.9419 18.4403 178.7009 162 E 4.3525 7.6793 113.6613 57.3121 30.3478 177.3201 163 M 4.5083 7.9159 119.7584 56.0707 33.6259 177.6453 164 E 3.9459 8.0720 119.7625 59.0043 29.8282 178.3655 165 I 3.6776 7.7324 112.6448 64.5067 37.7680 177.5943 166 D 4.3893 8.2611 121.0287 56.8314 40.4274 178.7258 167 R 3.9983 7.8300 119.0027 59.3649 29.9678 178.4035 168 I 3.5861 8.1207 119.9901 64.4853 37.2112 177.9665 169 L 4.0758 8.0813 119.3991 57.8864 41.7038 178.7213 170 F 4.1795 8.0370 118.7102 61.6649 39.1309 177.6788 171 E 4.5046 8.6043 112.8754 56.8828 28.9732 177.1034 172 I 4.0979 7.9396 119.3877 61.3534 37.7198 174.4419 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 12 P 0.00 4.32 0.00 2.18 2.01 0.00 3.56 0.00 0.00 3.75 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 13 K 7.56 4.05 0.00 1.83 1.74 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.47 7.81 14 E 8.79 3.94 0.00 2.10 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 2.22 2.27 0.00 15 L 7.40 3.27 0.00 0.91 0.13 0.74 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 16 V 6.44 3.57 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 1.12 0.00 0.00 0.96 0.00 0.00 17 N 7.51 4.22 0.00 2.78 2.82 0.00 0.00 6.76 7.54 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 18 E 7.51 3.88 0.00 1.99 1.89 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 2.37 2.38 0.00 19 W 8.11 4.59 0.00 3.63 3.10 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 20 S 8.68 4.15 0.00 4.15 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 0.00 21 L 7.94 4.04 0.00 2.03 1.76 0.96 0.77 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 22 K 8.47 3.93 0.00 2.04 1.92 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.58 7.81 23 I 8.35 3.69 2.08 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 1.59 1.22 0.93 0.00 0.00 24 R 8.82 3.92 0.00 2.02 2.10 0.00 3.16 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 25 K 8.43 3.98 0.00 1.92 2.00 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 26 E 8.55 3.98 0.00 2.14 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 0.00 2.54 2.50 0.00 27 M 8.08 4.02 0.00 2.08 2.33 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.61 0.00 28 R 7.75 3.91 0.00 2.05 1.97 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 29 V 7.52 3.56 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 1.07 0.00 0.00 0.93 0.00 0.00 30 V 7.97 3.52 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 0.89 0.00 0.00 0.90 0.00 0.00 31 D 8.33 4.22 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.34 3.86 0.00 1.85 2.10 0.00 3.24 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 33 Q 8.41 4.00 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.63 0.00 34 I 7.64 3.60 1.81 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.55 0.71 0.00 0.00 35 R 8.16 3.87 0.00 2.00 2.03 0.00 3.08 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 36 D 8.07 4.27 0.00 2.91 2.67 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 0.00 0.00 0.00 0.00 37 I 7.67 3.67 1.85 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 1.50 0.88 0.91 0.00 0.00 38 Q 8.27 3.99 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 39 R 7.80 4.69 0.00 2.14 1.99 0.00 3.13 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 40 E 8.49 4.28 0.00 2.17 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 0.00 2.30 2.39 0.00 41 E 8.24 4.02 0.00 2.21 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 0.00 2.34 2.54 0.00 42 E 8.24 3.93 0.00 2.15 2.04 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 2.35 2.63 0.00 43 K 7.43 3.90 0.00 2.13 1.84 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.59 7.81 44 V 7.65 3.57 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 1.09 0.00 0.00 1.01 0.00 0.00 45 K 8.33 3.87 0.00 1.94 2.05 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.49 7.81 46 R 8.01 3.88 0.00 2.06 1.96 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 47 S 8.06 4.09 0.00 3.95 3.92 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 0.00 0.00 0.00 0.00 48 V 7.98 3.58 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 1.12 0.00 0.00 0.97 0.00 0.00 49 K 8.01 3.92 0.00 2.03 1.83 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.18 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.65 7.81 50 D 8.42 4.35 0.00 2.87 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 51 A 8.62 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.16 3.89 1.38 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 0.00 0.00 53 K 8.29 4.09 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 54 K 7.92 4.45 0.00 1.74 1.82 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.53 7.81 55 G 8.28 3.94 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 0.00 0.00 0.00 56 Q 7.77 4.29 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.20 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 57 K 8.24 3.91 0.00 1.80 1.87 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.70 7.81 58 D 8.14 4.39 0.00 2.68 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 59 V 7.74 3.61 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 1.12 0.00 0.00 1.01 0.00 0.00 60 C 7.87 4.11 0.00 3.22 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 61 I 8.01 3.67 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 1.42 0.79 0.92 0.00 0.00 62 V 7.55 3.57 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 0.83 0.00 0.00 1.08 0.00 0.00 63 L 8.37 4.09 0.00 1.75 1.72 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.39 4.00 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 65 K 8.21 3.82 0.00 1.95 1.89 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.64 7.81 66 E 8.21 3.91 0.00 2.04 2.18 0.00 0.00 0.00 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 2.37 0.00 67 M 8.21 3.98 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.60 0.00 68 I 7.81 3.66 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 1.69 0.59 0.96 0.00 0.00 69 R 8.11 3.86 0.00 2.10 2.15 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 70 S 8.01 4.09 0.00 4.08 3.90 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 71 R 8.24 3.94 0.00 2.01 2.02 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 72 K 8.35 3.92 0.00 1.94 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 73 A 8.09 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 3.49 2.26 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 1.13 0.00 0.00 0.93 0.00 0.00 75 S 8.38 4.20 0.00 4.03 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 76 K 8.34 3.77 0.00 1.87 1.97 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.53 7.81 77 L 7.75 3.93 0.00 1.84 1.52 0.84 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.28 4.16 0.00 3.16 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 79 A 8.85 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 4.16 0.00 4.02 3.96 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 0.00 0.00 0.00 81 K 8.36 3.91 0.00 1.86 2.00 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.50 1.50 7.81 82 A 8.21 3.93 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 0.00 0.00 0.00 0.00 0.00 83 H 8.18 4.05 0.00 3.37 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 M 8.48 4.05 0.00 2.04 2.38 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 85 N 8.11 4.42 0.00 3.00 2.87 0.00 0.00 6.67 7.59 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 86 S 8.38 4.12 0.00 3.88 4.14 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 87 V 7.95 3.57 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 0.92 0.00 0.00 0.95 0.00 0.00 88 L 8.45 3.97 0.00 1.94 1.75 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 89 M 8.90 4.09 0.00 2.04 2.33 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.99 0.00 90 G 8.54 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 91 M 8.10 4.19 0.00 2.16 2.42 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.99 0.00 92 K 7.83 3.95 0.00 1.80 1.92 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.47 7.81 93 N 8.67 4.36 0.00 2.84 3.01 0.00 0.00 7.26 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 94 Q 8.75 4.09 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.50 0.00 0.00 0.00 0.00 0.00 2.64 2.72 0.00 95 L 7.53 3.81 0.00 1.74 1.76 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 96 A 9.03 4.36 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.21 4.13 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 0.88 0.00 0.00 0.95 0.00 0.00 98 L 7.68 3.76 0.00 1.66 1.66 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 *103 S 8.07 4.40 0.00 3.92 3.81 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 0.00 104 L 8.30 4.56 0.00 1.52 1.61 1.09 0.92 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 0.00 105 Q 8.71 4.52 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.56 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 106 K 8.27 4.28 0.00 1.80 1.85 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.47 7.81 107 S 8.05 4.38 0.00 3.91 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 0.00 108 T 8.23 3.85 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 0.00 109 E 8.08 3.78 0.00 2.04 1.92 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 0.00 2.38 2.33 0.00 110 V 7.82 3.91 2.05 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 0.69 0.00 0.00 0.97 0.00 0.00 111 M 7.86 4.05 0.00 2.28 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 112 K 7.67 4.12 0.00 1.67 1.83 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.44 7.81 113 A 7.82 4.02 1.37 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 0.00 0.00 0.00 114 M 7.29 4.12 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 115 Q 7.52 4.41 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.52 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 116 S 7.67 4.50 0.00 3.86 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 0.00 117 L 7.59 4.28 0.00 1.93 1.64 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 118 V 7.56 4.26 2.05 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 0.76 0.00 0.00 0.93 0.00 0.00 119 K 8.20 4.61 0.00 1.76 1.79 0.00 1.53 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.38 7.81 120 I 7.36 4.42 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.83 1.00 0.00 0.00 121 P 0.00 4.86 0.00 2.05 2.04 0.00 3.72 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 122 E 8.16 4.13 0.00 1.99 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 0.00 2.35 2.34 0.00 123 I 7.69 4.07 1.86 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 0.85 0.93 0.00 0.00 124 Q 9.48 3.74 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 125 A 7.70 4.02 1.24 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 0.00 0.00 126 T 8.26 3.76 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 1.23 0.00 0.00 127 M 8.11 3.55 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 128 R 7.87 3.58 0.00 1.79 2.01 0.00 3.06 0.00 0.00 3.08 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 129 E 9.54 4.14 0.00 2.07 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 0.00 2.29 2.35 0.00 130 L 7.61 3.98 0.00 1.75 1.37 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.72 3.88 0.00 3.75 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 0.00 132 K 7.51 3.85 0.00 1.94 1.90 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.47 7.81 133 E 7.86 4.01 0.00 2.09 2.42 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 2.54 2.48 0.00 134 M 7.97 3.91 0.00 1.79 1.77 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.71 0.00 135 M 7.83 4.49 0.00 1.98 2.26 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.41 0.00 136 K 8.47 3.78 0.00 1.99 1.72 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.51 7.81 137 A 9.07 4.95 1.29 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 0.00 0.00 0.00 138 G 7.51 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 0.00 139 I 8.55 3.91 1.84 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.78 1.06 0.00 0.00 140 I 7.48 4.13 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.50 0.89 0.00 0.00 *157 M 8.70 4.17 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 158 E 8.33 4.47 0.00 2.07 1.93 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 2.37 2.29 0.00 159 E 8.14 4.21 0.00 1.96 1.92 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 0.00 2.35 2.26 0.00 160 E 8.01 4.30 0.00 2.06 1.93 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 2.34 2.29 0.00 161 A 7.41 4.31 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 E 7.68 4.35 0.00 2.27 2.07 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 2.60 2.34 0.00 163 M 7.92 4.51 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 164 E 8.07 3.95 0.00 2.03 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 2.39 2.37 0.00 165 I 7.73 3.68 1.89 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 1.65 0.78 0.92 0.00 0.00 166 D 8.26 4.39 0.00 2.74 2.78 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 0.00 167 R 7.83 4.00 0.00 2.13 2.10 0.00 3.11 0.00 0.00 3.16 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.62 0.00 168 I 8.12 3.59 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 1.58 0.90 0.94 0.00 0.00 169 L 8.08 4.08 0.00 1.83 1.78 0.95 0.93 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 0.00 170 F 8.04 4.18 0.00 3.37 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 0.00 171 E 8.60 4.50 0.00 2.12 2.02 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 2.47 2.64 0.00 172 I 7.94 4.10 1.87 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 1.54 0.43 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.