NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2730 8.3144 121.8023 55.1088 34.6179 174.9041 6 L 3.6625 7.9520 121.3157 55.1016 43.1739 174.9522 7 R 4.4502 10.0691 128.7182 55.1629 31.7003 174.1403 8 I 4.9513 8.2478 127.7927 59.7586 39.0184 175.0931 9 E 4.6596 8.9583 123.6246 54.2430 33.2592 174.3840 10 L 3.5701 8.3590 122.7284 55.5662 42.7567 176.2811 11 G 4.3418 8.0394 109.1529 44.6826 0.0000 172.4193 12 E 4.6727 8.8339 116.2211 55.1010 32.1257 174.8542 13 E 4.5634 8.2033 119.3563 54.6162 31.0278 175.0504 14 T 4.4304 8.4249 114.9105 60.1296 70.4548 173.7254 15 N 5.2389 8.2929 121.1172 49.9851 41.2097 174.5688 16 D 4.4773 8.9870 118.4838 58.0551 40.3831 179.1231 17 E 3.9723 8.3903 119.3970 59.0340 29.6539 178.7096 18 L 4.0155 8.3571 120.6049 58.2999 42.2067 178.3698 19 Y 4.0116 8.1156 116.0913 61.0864 37.4986 178.2485 20 D 4.4422 7.9276 118.9608 57.3155 41.1893 178.6739 21 L 4.1879 7.4490 116.1888 57.9899 41.8246 179.3920 22 L 4.1957 7.8420 118.5997 57.8618 41.3337 179.2016 23 L 4.9848 8.0407 118.3549 55.8236 41.8027 178.7859 24 L 4.1897 8.2006 119.4743 57.3828 41.5929 178.6751 25 A 4.5214 7.9710 119.4115 53.1346 19.5806 176.9710 26 D 4.8574 7.9631 122.8456 51.8645 41.7009 175.1445 27 P 4.1961 0.0000 0.0000 65.6521 31.7945 177.3732 28 S 4.1419 8.2671 115.3859 58.5335 62.7216 174.2314 29 K 4.1027 8.6408 131.3335 59.4595 31.9604 177.8101 30 D 4.3277 8.1041 119.0440 57.5080 40.6991 178.3397 31 I 3.7342 7.6966 119.9803 64.5010 37.0923 178.6041 32 V 2.5612 7.6008 118.3713 66.0063 31.3152 177.7129 33 D 4.2654 7.9781 118.3790 57.5356 40.6158 178.1931 34 E 3.8901 7.8874 119.5918 59.6916 29.6752 178.3875 35 Y 4.3635 7.8026 117.3650 59.2138 38.1297 177.4316 36 L 3.9598 7.4992 122.5701 57.8529 42.1340 177.8781 37 E 4.1407 7.7330 118.4342 58.6719 29.9514 177.6259 38 R 3.9592 8.1192 118.9121 58.1648 30.3958 176.0343 39 G 4.2939 7.8705 103.7309 44.4776 0.0000 172.0842 40 E 4.6190 9.0622 121.2418 54.8758 31.4608 174.0401 41 C 5.0424 8.5952 127.4970 58.0804 33.8352 171.6664 42 Y 4.7605 8.7037 124.3899 56.2246 40.5878 174.8108 43 T 4.9470 8.7743 112.5431 59.7909 72.3876 172.4429 44 A 5.1383 9.0501 126.1448 50.1048 21.5846 175.3137 45 W 5.2352 9.4374 122.6907 54.7792 32.4167 175.2017 46 A 4.4743 8.7189 124.6920 50.0419 17.2462 175.6110 47 G 4.0547 9.3161 113.6970 43.7418 0.0000 171.7403 48 D 4.7527 8.9996 121.3221 53.3524 43.9517 175.3215 49 E 4.0935 7.7628 120.9086 54.5422 30.6237 175.0179 50 L 4.0382 8.0674 127.3072 54.4985 40.9417 176.2924 51 A 4.0112 8.2756 128.5318 54.0247 18.8180 178.1723 52 G 4.3949 8.4663 99.8253 46.0855 0.0000 170.7338 53 V 5.1669 8.7244 117.4362 61.4195 35.1428 172.3071 54 Y 5.3305 8.3402 117.8252 56.2085 41.1857 173.2944 55 V 4.7653 9.1389 122.0577 61.2516 34.7944 174.2005 56 L 5.0193 9.4715 128.2244 53.3224 43.4547 174.9911 57 L 4.9372 8.7550 126.8807 53.1963 44.7204 175.1708 58 K 4.7253 8.6339 124.8860 56.3461 33.2113 174.7877 59 T 4.1830 8.5796 114.8564 61.7769 67.6454 178.0824 60 R 4.1827 8.9467 119.4066 54.6535 31.3015 173.7875 61 P 4.4104 0.0000 0.0000 64.4204 31.7823 176.6068 62 Q 3.5310 8.9156 118.4417 56.7490 27.0291 172.6171 63 T 5.2542 8.0032 115.2908 61.6130 71.7007 173.5053 64 V 4.8829 8.7189 124.7668 59.8711 35.0051 174.1297 65 E 5.0330 9.2765 123.1168 54.7203 33.7080 174.9275 66 I 4.7698 8.2196 126.6434 59.3398 35.8471 176.7467 67 V 3.6144 7.9996 118.5353 63.1487 32.1977 175.4436 68 N 4.6487 7.8066 116.0259 52.8134 42.9029 173.0926 69 I 5.1958 8.4415 124.4406 60.1581 41.2611 173.1776 70 A 4.8428 9.2255 129.5482 51.1044 23.1931 175.0240 71 V 4.7113 8.1602 118.1358 60.6073 35.1129 174.8849 72 K 3.7685 9.0592 128.6250 57.3756 32.4932 176.7861 73 E 4.1598 9.4133 127.2106 59.9406 29.5103 179.0405 74 S 4.5706 8.0509 108.4685 59.2329 62.9179 174.1894 75 L 4.8880 8.3647 119.0001 54.2273 43.8490 176.5925 76 Q 4.3232 7.6459 117.1002 56.7316 29.3563 176.3319 77 K 3.9930 8.7209 115.4140 56.8224 29.1468 177.1505 78 K 4.1185 7.7293 116.3450 55.8802 32.6636 176.9670 79 G 3.9470 7.8705 107.6928 45.1788 0.0000 175.6745 80 F 4.6184 7.6566 119.0191 60.1052 38.8947 177.3710 81 G 3.7385 8.2125 105.3311 47.8893 0.0000 175.2068 82 K 3.9193 8.1054 122.2734 59.1262 32.1722 178.5086 83 Q 4.0388 7.9106 118.1059 59.0134 28.5789 179.0052 84 L 3.9784 8.0937 119.7940 57.7162 41.6949 179.5694 85 V 3.4968 7.6471 117.9993 66.2264 31.6819 178.0986 86 L 4.0013 8.2067 118.7174 57.6040 41.3281 179.2078 87 D 4.3191 7.9877 117.9842 57.1564 41.2929 178.0981 88 A 3.7578 8.0164 123.1017 54.4755 18.2637 179.6926 89 I 3.6715 7.6623 118.4175 64.2880 37.0756 178.4621 90 E 3.9893 7.6134 118.7074 59.1546 29.1581 179.2916 91 K 3.9571 7.9610 117.4781 59.3755 32.2072 178.9701 92 A 4.1362 8.0791 121.1021 54.7634 18.2320 179.9255 93 K 3.9374 7.8216 116.9146 59.6978 32.0731 179.7214 94 K 4.2851 7.7647 116.5306 58.3847 31.9220 178.0761 95 L 4.3458 7.6331 120.2361 54.6514 41.9149 177.6055 96 G 3.9597 8.4453 105.5571 46.3623 0.0000 174.0616 97 A 4.1868 7.2513 122.0660 52.3243 19.2251 177.6731 98 D 4.7249 9.2979 120.6516 56.2118 42.8461 177.0939 99 T 5.1118 7.7329 113.3575 61.6710 73.2929 172.8786 100 I 5.1319 8.7225 125.3272 59.4882 41.1483 174.0706 101 E 5.5265 8.9277 127.3514 54.4304 34.0895 174.4285 102 I 4.0612 7.7152 117.5191 60.7647 41.8987 172.8588 103 G 4.8682 8.4901 114.8972 44.9796 0.0000 171.2967 104 T 4.8801 8.2337 111.3167 59.4638 72.6664 173.2729 105 G 3.5396 8.5171 108.1479 45.7503 0.0000 174.8287 106 N 4.3471 8.6000 121.1304 55.3523 37.2876 176.6123 107 S 4.1769 7.6578 112.4109 60.7797 64.2278 175.9386 108 S 4.4562 7.9334 119.5294 57.7411 58.1458 174.4135 109 I 3.6284 7.4717 124.6147 64.6429 37.5219 177.3937 110 H 4.1253 8.1836 118.2583 59.6200 29.6390 177.0098 111 Q 3.2720 7.7959 118.9603 58.7309 28.1677 178.4819 112 L 3.9191 7.8089 119.8875 57.7847 41.4560 179.7402 113 S 3.8933 7.5045 112.9945 61.2259 62.2724 175.2967 114 L 3.7706 7.2794 121.3808 58.8451 41.8923 178.1079 115 Y 4.6290 7.5198 115.9517 61.6012 37.8375 179.1074 116 Q 4.9006 7.6923 119.7958 58.5162 28.6005 178.8931 117 K 4.0897 8.2445 118.5984 58.5729 32.0073 178.0193 118 C 4.6482 7.9298 115.9582 59.5259 28.5110 174.3663 119 G 3.9153 8.2050 111.2064 45.3274 0.0000 175.0285 120 F 4.2440 8.0947 118.4917 57.6798 39.7072 174.0493 121 R 4.9913 8.5114 122.6878 54.1808 33.7412 175.0577 122 I 3.9601 8.4497 123.3804 61.8848 37.3190 175.0113 123 Q 4.4030 9.8868 130.4170 57.2700 29.1011 175.7293 124 A 4.7262 7.5021 117.2971 51.0807 23.5390 173.5149 125 I 4.5308 8.1849 118.6538 59.8713 40.3416 176.4523 126 D 4.7505 8.5150 126.6132 52.5369 40.5185 174.7186 127 H 4.5634 8.5384 119.9446 56.9706 29.6148 175.0987 128 D 4.4678 9.3518 120.3926 55.0158 39.1636 175.2896 129 F 3.7294 7.7270 120.1905 62.4073 39.2830 177.1624 130 F 4.3709 9.0393 116.8170 59.9448 38.6180 177.7680 131 L 4.2457 8.1194 119.1865 57.1284 41.5944 178.5839 132 R 4.3342 7.8497 113.5400 57.1097 30.2484 176.5452 133 H 4.7180 7.7880 114.9026 55.6325 29.2693 173.9418 134 Y 4.6177 7.4545 115.1142 56.3116 41.9806 174.9048 135 D 4.4509 8.9454 121.8583 56.8587 41.7043 176.7167 136 E 4.4791 7.9892 116.2743 55.2606 31.0770 174.8463 137 D 4.7912 8.4715 119.8672 53.5208 41.6519 176.8127 138 I 4.2285 8.1925 125.1764 60.9451 38.5652 175.1655 139 F 5.0663 8.4477 123.8246 56.0028 43.2388 174.0625 140 E 4.5359 9.4687 119.0604 56.7445 33.0470 175.3642 141 N 4.1024 9.6810 123.6213 54.6116 36.0361 174.4899 142 G 4.0564 8.5306 101.4987 46.4186 0.0000 173.9900 143 I 4.5041 7.5778 119.2046 58.9884 40.2603 175.2293 144 Q 3.6548 8.3633 125.3597 54.4959 27.6656 174.5358 145 C 4.0978 7.7406 125.7096 59.4204 30.6559 173.5889 146 R 4.8174 8.3172 120.5183 56.0469 32.1268 173.5279 147 D 5.1031 8.1675 120.8420 54.0095 45.4329 175.8144 *149 V 4.0147 8.3196 123.9971 63.8549 33.1546 174.6002 150 R 4.7267 8.8237 129.2555 55.1523 31.5110 175.0943 151 L 5.5401 8.7319 125.8052 53.4061 45.9761 174.7438 152 Y 5.5683 8.9488 118.2756 56.4295 42.5654 173.5435 153 L 3.8328 8.2530 116.3227 54.2433 45.4033 173.5075 154 D 4.8313 8.6782 127.0575 54.3180 41.7405 177.0406 155 L 4.5600 8.3065 123.0782 51.4042 40.8085 176.5626 156 L 4.0095 7.6094 123.2964 55.5713 41.9889 173.9525 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 5 K 8.31 4.27 0.00 1.84 1.95 0.00 2.08 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.52 7.81 6 L 7.95 3.66 0.00 1.87 1.65 0.18 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 7 R 10.07 4.45 0.00 1.90 1.90 0.00 3.09 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 8 I 8.25 4.95 1.94 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.78 1.09 0.00 0.00 9 E 8.96 4.66 0.00 1.69 1.74 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 1.47 1.60 0.00 10 L 8.36 3.57 0.00 1.28 1.37 0.36 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.04 4.34 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 0.00 12 E 8.83 4.67 0.00 1.97 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 2.12 2.30 0.00 13 E 8.20 4.56 0.00 1.98 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 2.22 2.22 0.00 14 T 8.42 4.43 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 1.09 0.00 0.00 15 N 8.29 5.24 0.00 2.94 2.94 0.00 0.00 6.24 8.07 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 16 D 8.99 4.48 0.00 2.73 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 17 E 8.39 3.97 0.00 2.03 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 0.00 2.27 2.29 0.00 18 L 8.36 4.02 0.00 1.80 1.59 0.93 1.08 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 19 Y 8.12 4.01 0.00 3.13 3.02 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 0.00 0.00 0.00 20 D 7.93 4.44 0.00 2.95 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 21 L 7.45 4.19 0.00 2.02 1.77 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.84 4.20 0.00 1.72 1.77 0.63 0.64 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 23 L 8.04 4.98 0.00 1.88 1.81 1.17 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.20 4.19 0.00 1.82 1.79 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.97 4.52 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 26 D 7.96 4.86 0.00 2.91 2.77 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 27 P 0.00 4.20 0.00 2.25 2.23 0.00 3.97 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 28 S 8.27 4.14 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 29 K 8.64 4.10 0.00 1.89 1.79 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.71 1.66 7.81 30 D 8.10 4.33 0.00 2.72 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 31 I 7.70 3.73 1.98 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 1.44 0.88 1.14 0.00 0.00 32 V 7.60 2.56 2.24 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 0.93 0.00 0.00 1.07 0.00 0.00 33 D 7.98 4.27 0.00 2.89 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 34 E 7.89 3.89 0.00 2.01 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 0.00 2.32 2.50 0.00 35 Y 7.80 4.36 0.00 3.18 3.22 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 0.00 0.00 0.00 0.00 36 L 7.50 3.96 0.00 1.52 1.74 0.83 0.80 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 37 E 7.73 4.14 0.00 1.97 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 0.00 2.30 2.45 0.00 38 R 8.12 3.96 0.00 1.88 2.02 0.00 3.32 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 39 G 7.87 4.29 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 0.00 40 E 9.06 4.62 0.00 2.24 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 0.00 2.39 2.23 0.00 41 C 8.60 5.04 0.00 3.03 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 42 Y 8.70 4.76 0.00 1.57 2.43 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 0.00 43 T 8.77 4.95 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 1.29 0.00 0.00 44 A 9.05 5.14 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 W 9.44 5.24 0.00 3.14 2.95 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 0.00 0.00 0.00 0.00 46 A 8.72 4.47 1.05 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 47 G 9.32 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 48 D 9.00 4.75 0.00 2.57 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.76 4.09 0.00 1.94 1.74 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 2.27 2.22 0.00 50 L 8.07 4.04 0.00 1.37 1.61 1.15 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.28 4.01 1.05 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 52 G 8.47 4.39 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 0.00 53 V 8.72 5.17 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 0.72 0.00 0.00 1.03 0.00 0.00 54 Y 8.34 5.33 0.00 3.19 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 55 V 9.14 4.77 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 1.23 0.00 0.00 1.13 0.00 0.00 56 L 9.47 5.02 0.00 1.74 1.68 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.75 4.94 0.00 1.76 1.47 1.01 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.63 4.73 0.00 1.70 1.75 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 59 T 8.58 4.18 4.25 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 0.00 0.00 0.00 1.27 0.00 0.00 60 R 8.95 4.18 0.00 1.90 1.91 0.00 3.13 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 61 P 0.00 4.41 0.00 2.04 2.00 0.00 3.83 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 2.03 2.12 0.00 62 Q 8.92 3.53 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 63 T 8.00 5.25 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 1.23 0.00 0.00 64 V 8.72 4.88 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 0.90 0.00 0.00 0.98 0.00 0.00 65 E 9.28 5.03 0.00 1.96 1.74 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 2.17 2.34 0.00 66 I 8.22 4.77 1.65 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.29 0.85 0.00 0.00 67 V 8.00 3.61 1.15 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 0.42 0.00 0.00 0.61 0.00 0.00 68 N 7.81 4.65 0.00 2.96 2.74 0.00 0.00 6.44 7.61 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 69 I 8.44 5.20 1.91 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 1.38 0.90 0.97 0.00 0.00 70 A 9.23 4.84 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 71 V 8.16 4.71 2.21 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 1.08 0.00 0.00 1.08 0.00 0.00 72 K 9.06 3.77 0.00 2.08 1.76 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.49 7.81 73 E 9.41 4.16 0.00 2.10 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 2.45 2.37 0.00 74 S 8.05 4.57 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 4.89 0.00 1.81 1.99 1.00 1.05 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 76 Q 7.65 4.32 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 5.94 0.00 0.00 0.00 0.00 0.00 2.54 2.36 0.00 77 K 8.72 3.99 0.00 1.94 2.01 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.67 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.36 7.81 78 K 7.73 4.12 0.00 1.28 1.14 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.24 1.34 7.81 79 G 7.87 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 7.66 4.62 0.00 3.17 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 81 G 8.21 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 0.00 0.00 0.00 82 K 8.11 3.92 0.00 1.84 1.98 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.57 7.81 83 Q 7.91 4.04 0.00 2.43 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.75 0.00 84 L 8.09 3.98 0.00 1.89 1.73 1.10 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.65 3.50 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 1.22 0.00 0.00 1.06 0.00 0.00 86 L 8.21 4.00 0.00 1.84 1.69 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.99 4.32 0.00 2.97 2.76 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 0.00 0.00 0.00 0.00 88 A 8.02 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.66 3.67 1.96 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.28 0.78 0.00 0.00 90 E 7.61 3.99 0.00 2.18 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 2.53 2.46 0.00 91 K 7.96 3.96 0.00 1.58 1.72 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.56 1.02 7.81 92 A 8.08 4.14 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 93 K 7.82 3.94 0.00 2.00 1.84 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.71 7.81 94 K 7.76 4.29 0.00 1.76 1.89 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.59 7.81 95 L 7.63 4.35 0.00 2.00 1.72 0.98 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.45 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 0.00 0.00 0.00 97 A 7.25 4.19 1.26 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 0.00 0.00 98 D 9.30 4.72 0.00 2.70 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 99 T 7.73 5.11 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 1.46 0.00 0.00 100 I 8.72 5.13 1.86 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 1.40 1.72 0.84 0.00 0.00 101 E 8.93 5.53 0.00 1.91 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 2.33 2.29 0.00 102 I 7.72 4.06 1.33 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.68 -0.51 0.00 0.00 103 G 8.49 4.87 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 0.00 0.00 0.00 104 T 8.23 4.88 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 1.47 0.00 0.00 105 G 8.52 3.54 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 0.00 0.00 0.00 0.00 106 N 8.60 4.35 0.00 2.77 2.91 0.00 0.00 6.98 7.19 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 0.00 107 S 7.66 4.18 0.00 4.08 3.85 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 0.00 108 S 7.93 4.46 0.00 3.91 3.80 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 0.00 109 I 7.47 3.63 1.84 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 1.37 0.89 0.88 0.00 0.00 110 H 8.18 4.13 0.00 3.12 3.23 0.00 5.69 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 0.00 111 Q 7.80 3.27 0.00 1.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.60 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 112 L 7.81 3.92 0.00 1.77 1.69 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 113 S 7.50 3.89 0.00 3.79 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 0.00 114 L 7.28 3.77 0.00 1.31 1.26 0.88 0.62 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 0.00 115 Y 7.52 4.63 0.00 2.96 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 0.00 116 Q 7.69 4.90 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 117 K 8.24 4.09 0.00 1.96 1.88 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.53 7.81 118 C 7.93 4.65 0.00 3.30 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 0.00 119 G 8.20 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 0.00 0.00 0.00 120 F 8.09 4.24 0.00 3.28 2.96 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 0.00 121 R 8.51 4.99 0.00 1.48 1.79 0.00 2.97 0.00 0.00 2.94 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.34 0.00 122 I 8.45 3.96 1.93 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 1.28 0.52 0.95 0.00 0.00 123 Q 9.89 4.40 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.63 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 124 A 7.50 4.73 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 0.00 125 I 8.18 4.53 1.68 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 1.22 0.98 0.77 0.00 0.00 126 D 8.52 4.75 0.00 2.76 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 0.00 127 H 8.54 4.56 0.00 3.20 3.30 0.00 6.10 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.35 4.47 0.00 2.95 2.77 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 0.00 129 F 7.73 3.73 0.00 3.34 3.16 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 0.00 130 F 9.04 4.37 0.00 3.11 3.14 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 0.00 131 L 8.12 4.25 0.00 1.89 1.76 1.01 1.13 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 0.00 132 R 7.85 4.33 0.00 1.89 1.99 0.00 2.80 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.29 0.00 133 H 7.79 4.72 0.00 2.80 3.09 0.00 5.60 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Y 7.45 4.62 0.00 3.27 2.95 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 0.00 0.00 0.00 0.00 135 D 8.95 4.45 0.00 2.63 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 0.00 136 E 7.99 4.48 0.00 2.12 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 0.00 137 D 8.47 4.79 0.00 2.79 2.93 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 0.00 0.00 0.00 138 I 8.19 4.23 1.83 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 1.22 1.27 0.77 0.00 0.00 139 F 8.45 5.07 0.00 2.86 2.88 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 0.00 140 E 9.47 4.54 0.00 1.93 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 2.14 2.21 0.00 141 N 9.68 4.10 0.00 2.89 2.87 0.00 0.00 7.05 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 0.00 142 G 8.53 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 0.00 0.00 0.00 143 I 7.58 4.50 1.96 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 1.18 1.25 0.85 0.00 0.00 144 Q 8.36 3.65 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.10 0.00 0.00 0.00 0.00 0.00 1.16 2.19 0.00 145 C 7.74 4.10 0.00 2.61 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 0.00 146 R 8.32 4.82 0.00 2.01 1.98 0.00 2.94 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 147 D 8.17 5.10 0.00 2.71 2.40 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 *149 V 8.32 4.01 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 0.95 0.00 0.00 0.92 0.00 0.00 150 R 8.82 4.73 0.00 2.10 1.78 0.00 3.05 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 151 L 8.73 5.54 0.00 1.72 1.75 0.99 0.42 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 0.00 152 Y 8.95 5.57 0.00 3.10 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 0.00 153 L 8.25 3.83 0.00 0.90 0.78 0.65 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.68 4.83 0.00 2.59 2.59 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 0.00 155 L 8.31 4.56 0.00 1.41 1.54 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 156 L 7.61 4.01 0.00 1.50 1.44 0.91 0.94 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 * Residues marked with a * may have inaccurate shift predictions.