NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9491 8.1633 120.7164 55.2217 33.8673 173.8514 2 R 4.9662 8.6818 120.7550 52.3470 33.2659 170.2427 3 V 4.9966 8.3621 121.0568 60.1979 36.0094 173.9431 4 V 4.8157 9.3338 123.1942 61.4935 33.9417 174.1644 5 I 4.7141 8.7309 130.3013 60.4143 38.6712 175.1118 6 Q 5.1455 8.9287 126.0396 53.8909 32.4271 174.7662 7 R 4.4517 8.5850 124.6641 56.1944 31.2020 175.6284 8 V 5.0075 8.5912 118.8766 59.6740 35.1625 176.5975 9 K 4.2752 9.1661 122.2145 57.6726 32.9523 177.0152 10 G 4.0875 7.5920 106.1589 45.7901 0.0000 171.5769 11 A 4.9688 7.9467 117.9417 51.0758 23.4276 175.5342 12 I 4.7605 8.8526 122.9311 59.2680 40.6453 174.2727 13 L 5.0322 8.9515 129.2822 53.5198 44.1823 175.3719 14 S 5.3457 9.3313 121.8923 56.8607 67.0133 173.2872 15 V 4.8576 8.8125 113.7881 59.3690 35.7994 175.3762 16 R 4.5095 8.5708 121.9237 57.2710 30.6618 176.8023 17 K 3.8884 10.2801 123.3177 57.5428 30.9811 175.5206 *25 K 4.2841 8.1208 125.9512 56.0675 33.8810 176.1556 26 E 4.3524 7.9656 118.0286 56.9468 30.5755 175.1219 27 L 4.8286 7.6906 117.7762 53.7670 43.3002 175.9814 28 E 4.6433 9.5074 124.2069 54.1244 32.3599 175.0892 29 I 4.3924 8.6338 128.3965 61.6756 37.5472 175.9366 30 I 4.4944 8.3711 118.3189 60.4614 39.0233 175.2969 31 S 4.7461 7.7964 115.0715 58.1173 65.2963 174.3279 32 E 5.3242 8.7658 121.9452 55.9486 32.0565 174.0267 33 I 4.6287 8.3818 112.9526 59.7967 40.9960 174.3430 34 K 4.6188 8.6703 128.1111 55.9268 31.6747 176.5979 35 N 4.6489 7.9725 121.3324 53.2302 39.9951 175.0758 36 G 4.9473 7.1986 107.8425 46.2862 0.0000 172.4734 37 L 5.2870 7.9610 123.5556 52.7838 46.3306 174.6545 38 I 4.5546 8.6517 123.4234 59.6639 39.8234 173.9616 39 C 4.9478 8.8544 128.7879 58.4633 30.0153 172.8996 40 F 5.1296 9.1440 124.2202 56.0369 40.4504 174.8733 41 L 5.2688 9.9073 127.6453 53.3168 45.1097 175.1228 42 G 4.7132 9.3073 114.5705 45.0372 0.0000 171.9953 43 I 4.9575 8.5144 125.6094 59.7823 38.9824 174.9566 44 H 3.5616 10.2151 128.8979 55.3395 30.5191 176.0863 45 K 3.8103 8.0434 124.5252 58.1954 32.6235 177.1861 46 N 5.0524 8.0104 115.8305 52.6671 39.6600 174.0668 47 D 4.6112 7.6587 118.4776 54.7704 41.4919 176.8503 48 T 4.7789 9.2616 113.9356 59.9656 72.5150 175.3884 49 W 4.4026 8.7894 128.8672 60.3519 30.5095 177.6183 50 E 3.9241 8.3341 118.5325 59.1727 29.0248 178.7073 51 D 4.3839 8.1792 118.8221 57.3108 40.9316 178.3242 52 A 3.8896 7.9005 121.1432 55.4688 18.1717 179.7473 53 L 3.4282 7.3133 117.1626 57.6558 41.6055 179.3256 54 Y 3.7673 7.6089 119.6779 60.7022 38.8190 177.5442 55 I 3.6590 7.5764 120.1967 64.6812 37.1421 178.0639 56 I 2.9955 7.5655 120.2024 64.4066 36.8957 178.3193 57 R 3.6929 7.7927 119.2014 59.3150 29.7679 178.8019 58 K 3.7934 7.5120 117.5331 59.7356 31.9175 179.1700 59 C 4.1179 7.9053 115.4531 62.7544 28.0723 175.7295 60 L 4.2978 7.6361 119.3173 56.0861 41.6334 177.2192 61 N 4.8493 7.7435 113.3452 52.6560 40.5198 175.0130 62 L 3.9605 8.0460 119.9103 55.3678 42.0490 177.0346 63 R 4.6864 8.5809 123.1499 55.5522 28.6638 176.1530 64 L 5.0502 8.4931 118.9539 53.9051 42.2072 176.1329 65 W 4.7848 8.3552 118.9883 54.9603 32.8547 174.2254 66 N 5.4104 8.4444 116.8113 51.9692 40.4764 174.2351 67 N 4.9262 8.9542 117.2909 52.9156 40.1121 175.5526 68 D 4.1941 8.2223 127.8329 54.4097 41.0483 174.9507 69 N 4.2439 8.9377 123.2199 57.0831 38.5415 174.1883 70 K 4.3661 7.8680 118.9151 55.1730 33.3654 176.3284 71 T 4.7379 8.1831 115.1843 60.0600 70.6385 174.3460 72 W 4.0420 7.6504 118.6532 56.8368 26.0859 174.1437 73 D 4.9479 9.6333 113.2273 53.6672 43.7969 175.8631 74 K 4.9605 8.0711 116.6762 55.7682 36.8166 175.5583 75 N 5.6079 9.9575 122.7598 50.9385 39.5498 176.3598 76 V 3.4285 8.8624 118.6934 65.2341 30.9601 178.5643 77 K 3.6562 7.7906 118.4132 58.8793 31.6972 178.6049 78 D 4.3082 8.5194 118.5648 57.2737 40.9187 178.3712 79 L 3.9221 6.8387 115.2868 53.2004 41.9382 175.9167 80 N 4.3861 7.7710 116.1625 53.9795 37.7448 173.4908 81 Y 4.8979 7.8156 114.5933 57.2440 39.9412 174.6209 82 E 5.0733 8.9995 118.9016 54.9362 33.4471 175.4694 83 L 5.1364 8.9485 120.7192 52.9372 45.6109 175.5880 84 L 4.9047 9.0920 126.2260 53.5403 43.9472 175.2137 85 I 4.6763 8.0863 128.7489 59.9568 38.0226 175.6355 86 V 4.5746 9.1731 128.4143 60.9849 34.3404 174.1593 87 S 5.2955 8.7534 122.3119 57.6865 63.7123 173.6651 88 Q 4.4685 9.4389 128.5418 53.8377 29.6511 175.0355 89 F 4.4791 8.9195 120.9200 59.4469 38.4746 178.1811 90 T 3.6629 6.4719 111.0068 64.1300 68.1637 175.4030 91 L 3.9991 7.7576 121.1242 56.8639 41.6583 177.4450 92 F 4.7426 9.1008 118.0544 57.0258 40.6037 175.4972 93 G 3.8062 8.4567 107.9955 45.7388 0.0000 173.6250 94 N 4.7982 9.3636 127.4632 52.8112 40.1947 175.4322 95 T 4.5509 8.2594 113.0324 60.9259 70.0741 174.4722 96 K 3.9588 8.5476 123.5522 58.9653 32.2177 177.1841 97 K 4.5025 7.7125 115.7921 55.6461 35.1374 177.6688 98 G 3.8209 8.6205 110.2862 45.9780 0.0000 173.4263 99 N 4.8297 8.7018 118.9709 52.4336 40.3043 173.6290 100 K 4.3741 7.7792 120.2092 53.6356 33.0000 174.1111 101 P 4.1466 0.0000 0.0000 62.5577 31.7945 175.3857 102 D 4.4708 8.9236 123.5758 53.3146 41.5121 176.4140 103 F 5.4131 8.7953 123.9016 56.6693 39.8306 177.1720 104 H 4.1816 8.6439 117.0138 58.5569 28.3122 176.2578 105 L 3.8867 7.8218 117.9268 55.6073 41.7756 176.3104 106 A 4.1519 7.8206 121.3901 50.9184 19.4379 177.4124 107 K 3.9784 8.5141 122.8407 55.8086 33.1097 176.5254 108 E 3.8289 9.0130 127.6625 56.8485 30.2277 175.4479 109 P 4.3950 0.0000 0.0000 66.0914 31.6683 178.1135 110 N 4.3083 8.4880 114.3662 56.3999 38.1778 176.6582 111 E 4.4006 7.9644 117.2146 57.5268 29.9955 178.4448 112 A 4.1930 8.3370 122.0513 54.6049 18.3631 179.3587 113 L 2.7562 8.1751 119.6515 58.0550 42.0962 179.3691 114 I 3.7364 7.3238 111.9494 63.8140 37.4945 177.9572 115 F 4.0763 8.0507 121.2472 61.1378 39.2908 176.1981 116 Y 4.2748 8.7459 119.5887 61.2453 38.3352 178.1196 117 N 4.3966 8.6786 117.4229 56.2326 38.7126 177.6421 118 K 3.9736 8.4479 120.3300 59.4565 32.1167 179.3635 119 I 3.7626 7.8552 120.1217 64.3566 36.9732 178.3860 120 I 3.8039 7.6665 120.5740 64.7528 36.9678 178.1240 121 D 4.4817 7.8422 119.3204 57.4483 40.5113 178.6366 122 E 4.0486 8.3146 119.5063 59.0773 29.1419 178.6760 123 F 4.1296 8.3162 117.9810 60.5226 38.9815 177.8703 124 K 4.0519 8.5982 118.3570 59.3369 31.7171 179.3149 125 K 3.9350 8.3507 118.7239 59.7962 32.2961 178.5405 126 Q 4.2513 8.3511 116.1688 58.3604 28.8429 174.8414 127 Y 4.7582 8.2268 118.0369 55.7350 41.9604 173.8078 128 N 4.5751 8.4011 122.3658 53.2094 43.0581 174.7597 129 D 4.3490 8.4318 126.5988 57.7802 41.1104 178.2113 130 D 4.4898 7.5978 114.4650 55.7016 40.9898 177.0455 131 K 4.1992 8.0078 118.7047 56.1465 32.4866 175.5064 132 I 4.7505 7.2414 120.3434 59.6735 38.6231 175.3195 133 K 4.7714 9.1113 127.5053 54.8274 34.9885 175.4819 134 I 5.0737 8.0786 114.5429 59.8466 41.0481 174.7772 135 G 4.1567 8.0734 112.9455 44.9432 0.0000 174.8377 136 K 4.4418 8.1675 118.1923 53.1246 32.3173 175.1241 137 F 3.6075 8.6659 124.1612 59.1013 40.1654 175.3434 138 G 3.7102 7.3897 114.2366 46.0767 0.0000 173.1892 139 N 4.9571 7.5771 112.9639 50.9655 43.0233 174.4189 140 Y 4.1035 8.7396 122.7086 58.8385 39.2216 175.4226 141 M 4.8419 6.9763 124.3122 53.3667 36.5641 173.9472 142 N 4.7505 8.7170 120.2832 51.9483 41.6760 173.2577 143 I 5.4014 8.1965 126.6900 58.4234 39.5165 174.5005 144 D 4.5488 8.5843 127.8017 54.1146 41.5958 175.8772 145 V 4.5877 8.4524 123.3302 61.4464 34.6842 175.3929 146 T 4.5253 8.6419 121.7061 61.5359 70.5567 172.7843 147 N 4.8779 8.7287 124.3439 53.1146 39.1310 174.4326 148 D 4.2065 9.9503 124.9959 56.7933 41.9220 174.4142 149 G 3.8324 9.0582 117.7080 44.9371 0.0000 172.1234 150 P 4.6283 0.0000 0.0000 60.5450 33.2358 175.7482 151 V 4.5285 8.0487 117.1398 61.5244 34.5150 173.9490 152 T 5.1696 8.6949 123.6320 61.8593 71.7588 173.2834 153 I 4.6581 9.0235 126.8925 59.5680 40.6387 173.9092 154 Y 5.2820 8.6298 126.1264 56.0677 41.8011 174.7569 155 I 4.4915 7.4397 124.4036 59.6858 41.7495 173.3418 156 D 5.2558 8.3739 125.8210 52.5907 43.7773 176.5110 157 T 3.9217 8.8119 115.8242 63.7210 69.4080 176.4582 158 H 4.3596 8.6056 119.7730 58.7825 28.8100 176.2541 159 D 4.6325 7.6862 115.3559 54.9433 40.2480 175.8687 160 I 4.5728 7.1531 118.9314 59.3072 40.9230 175.2361 161 N 4.4841 8.5253 118.5226 53.7044 38.4894 175.3526 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 4.95 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 8.68 4.97 0.00 1.53 1.78 0.00 2.21 0.00 0.00 2.96 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 3 V 8.36 5.00 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 0.67 0.00 0.00 1.07 0.00 0.00 4 V 9.33 4.82 2.28 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 1.22 0.00 0.00 1.14 0.00 0.00 5 I 8.73 4.71 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 1.28 0.60 0.94 0.00 0.00 6 Q 8.93 5.15 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 7 R 8.58 4.45 0.00 1.64 1.78 0.00 2.21 0.00 0.00 2.50 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.83 0.00 8 V 8.59 5.01 2.38 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 1.00 0.00 0.00 0.99 0.00 0.00 9 K 9.17 4.28 0.00 1.59 1.85 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.40 7.81 10 G 7.59 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 0.00 0.00 0.00 11 A 7.95 4.97 1.18 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 0.00 0.00 0.00 0.00 0.00 12 I 8.85 4.76 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 1.11 1.24 0.91 0.00 0.00 13 L 8.95 5.03 0.00 1.66 1.64 0.90 0.85 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 14 S 9.33 5.35 0.00 3.82 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 8.81 4.86 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 0.85 0.00 0.00 0.98 0.00 0.00 16 R 8.57 4.51 0.00 1.78 1.92 0.00 3.12 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.90 0.00 17 K 10.28 3.89 0.00 1.94 2.32 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.32 7.81 *25 K 8.12 4.28 0.00 1.77 1.93 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 26 E 7.97 4.35 0.00 2.04 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 2.32 2.32 0.00 27 L 7.69 4.83 0.00 1.60 1.60 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.51 4.64 0.00 1.97 1.78 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 2.20 2.26 0.00 29 I 8.63 4.39 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 0.66 0.95 0.00 0.00 30 I 8.37 4.49 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 1.12 0.69 0.93 0.00 0.00 31 S 7.80 4.75 0.00 3.94 3.67 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 32 E 8.77 5.32 0.00 1.96 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 0.00 2.17 2.28 0.00 33 I 8.38 4.63 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 1.20 0.34 0.89 0.00 0.00 34 K 8.67 4.62 0.00 1.77 1.57 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.53 7.81 35 N 7.97 4.65 0.00 1.44 1.77 0.00 0.00 7.40 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 7.20 4.95 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 37 L 7.96 5.29 0.00 1.61 1.55 1.09 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.65 4.55 1.70 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 1.11 0.92 0.00 0.00 39 C 8.85 4.95 0.00 2.80 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 40 F 9.14 5.13 0.00 3.00 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 41 L 9.91 5.27 0.00 1.85 1.75 1.16 1.09 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 42 G 9.31 4.71 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 0.00 0.00 0.00 43 I 8.51 4.96 1.97 0.00 0.00 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 1.54 0.97 0.74 0.00 0.00 44 H 10.22 3.56 0.00 3.12 3.27 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.04 3.81 0.00 1.82 1.76 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.34 7.81 46 N 8.01 5.05 0.00 2.69 2.74 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 7.66 4.61 0.00 2.38 2.54 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 48 T 9.26 4.78 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 1.28 0.00 0.00 49 W 8.79 4.40 0.00 3.43 3.18 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 0.00 0.00 0.00 50 E 8.33 3.92 0.00 2.06 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 2.49 2.39 0.00 51 D 8.18 4.38 0.00 3.16 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 7.90 3.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.31 3.43 0.00 1.46 1.51 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.61 3.77 0.00 3.11 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 55 I 7.58 3.66 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.12 1.01 0.00 0.00 56 I 7.57 3.00 1.50 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 -0.28 0.77 0.32 0.00 0.00 57 R 7.79 3.69 0.00 1.75 1.71 0.00 2.99 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 58 K 7.51 3.79 0.00 1.80 1.71 0.00 1.61 0.00 0.00 1.49 0.00 0.00 2.63 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.85 1.00 7.81 59 C 7.91 4.12 0.00 3.25 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 60 L 7.64 4.30 0.00 1.77 1.63 0.90 1.32 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 61 N 7.74 4.85 0.00 2.69 2.78 0.00 0.00 7.03 8.00 0.00 0.00 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 8.05 3.96 0.00 1.83 1.67 0.90 1.01 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 63 R 8.58 4.69 0.00 2.00 2.14 0.00 3.14 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 64 L 8.49 5.05 0.00 1.18 1.43 0.89 1.00 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 65 W 8.36 4.78 0.00 3.61 2.92 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 66 N 8.44 5.41 0.00 2.77 2.91 0.00 0.00 6.17 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 8.95 4.93 0.00 2.75 2.64 0.00 0.00 7.86 8.78 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 68 D 8.22 4.19 0.00 2.78 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 0.00 0.00 0.00 69 N 8.94 4.24 0.00 2.70 2.92 0.00 0.00 6.65 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 70 K 7.87 4.37 0.00 1.79 1.67 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.40 7.81 71 T 8.18 4.74 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 0.88 0.00 0.00 72 W 7.65 4.04 0.00 3.42 3.31 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 73 D 9.63 4.95 0.00 2.62 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 74 K 8.07 4.96 0.00 1.77 1.59 0.00 1.64 0.00 0.00 2.00 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.34 7.81 75 N 9.96 5.61 0.00 2.99 3.23 0.00 0.00 6.59 7.64 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 76 V 8.86 3.43 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 0.98 0.00 0.00 1.16 0.00 0.00 77 K 7.79 3.66 0.00 1.75 1.65 0.00 1.43 0.00 0.00 1.42 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.87 7.81 78 D 8.52 4.31 0.00 2.64 2.64 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 79 L 6.84 3.92 0.00 0.27 0.16 0.13 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.77 4.39 0.00 2.73 2.80 0.00 0.00 7.17 7.17 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 81 Y 7.82 4.90 0.00 2.79 2.81 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 82 E 9.00 5.07 0.00 1.92 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 2.23 2.30 0.00 83 L 8.95 5.14 0.00 1.53 1.28 1.12 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 84 L 9.09 4.90 0.00 1.61 1.41 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.09 4.68 1.71 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 -0.00 0.89 0.00 0.00 86 V 9.17 4.57 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 1.00 0.00 0.00 0.81 0.00 0.00 87 S 8.75 5.30 0.00 4.20 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 9.44 4.47 0.00 2.30 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 89 F 8.92 4.48 0.00 3.35 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 90 T 6.47 3.66 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 -0.01 0.00 0.00 91 L 7.76 4.00 0.00 1.86 1.59 1.16 0.85 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 92 F 9.10 4.74 0.00 3.22 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 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 0.00 0.00 0.00 94 N 9.36 4.80 0.00 2.77 2.76 0.00 0.00 6.42 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.26 4.55 4.18 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 0.00 0.00 1.12 0.00 0.00 96 K 8.55 3.96 0.00 1.82 1.93 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.50 7.81 97 K 7.71 4.50 0.00 1.78 1.74 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.42 7.81 98 G 8.62 3.82 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 0.00 0.00 0.00 99 N 8.70 4.83 0.00 2.65 2.77 0.00 0.00 6.56 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 0.00 100 K 7.78 4.37 0.00 1.68 1.68 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.45 7.81 101 P 0.00 4.15 0.00 1.12 1.59 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 102 D 8.92 4.47 0.00 2.63 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 0.00 103 F 8.80 5.41 0.00 3.29 3.23 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 0.00 0.00 0.00 0.00 104 H 8.64 4.18 0.00 3.27 3.51 0.00 5.72 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 7.82 3.89 0.00 1.77 1.54 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.82 4.15 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 0.00 107 K 8.51 3.98 0.00 1.85 1.69 0.00 1.51 0.00 0.00 1.71 0.00 0.00 2.54 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.48 1.29 7.81 108 E 9.01 3.83 0.00 2.03 1.82 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 2.37 2.31 0.00 109 P 0.00 4.39 0.00 2.23 2.18 0.00 3.62 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 110 N 8.49 4.31 0.00 3.09 2.88 0.00 0.00 6.99 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 7.96 4.40 0.00 2.14 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 2.30 2.32 0.00 112 A 8.34 4.19 1.62 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 0.00 0.00 113 L 8.18 2.76 0.00 1.40 1.71 0.56 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.32 3.74 1.88 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 1.45 0.88 0.95 0.00 0.00 115 F 8.05 4.08 0.00 3.45 3.31 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 0.00 116 Y 8.75 4.27 0.00 3.23 3.05 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 0.00 117 N 8.68 4.40 0.00 2.97 2.88 0.00 0.00 7.13 7.03 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 0.00 118 K 8.45 3.97 0.00 1.87 1.69 0.00 1.45 0.00 0.00 1.30 0.00 0.00 2.14 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.27 1.51 7.81 119 I 7.86 3.76 2.03 0.00 0.00 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 1.32 0.72 0.99 0.00 0.00 120 I 7.67 3.80 1.94 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 1.42 0.68 0.90 0.00 0.00 121 D 7.84 4.48 0.00 2.84 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 0.00 122 E 8.31 4.05 0.00 2.42 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 0.00 2.19 2.24 0.00 123 F 8.32 4.13 0.00 3.32 3.05 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 0.00 124 K 8.60 4.05 0.00 1.96 2.01 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.66 7.81 125 K 8.35 3.94 0.00 1.89 1.88 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.51 7.81 126 Q 8.35 4.25 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 127 Y 8.23 4.76 0.00 2.98 2.92 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 0.00 128 N 8.40 4.58 0.00 2.35 1.55 0.00 0.00 7.00 8.57 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 0.00 129 D 8.43 4.35 0.00 2.76 2.64 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 0.00 130 D 7.60 4.49 0.00 2.64 2.64 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 0.00 131 K 8.01 4.20 0.00 1.17 1.73 0.00 1.75 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.18 0.94 7.81 132 I 7.24 4.75 1.86 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.90 0.76 0.00 0.00 133 K 9.11 4.77 0.00 1.77 1.67 0.00 1.47 0.00 0.00 1.67 0.00 0.00 3.26 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.39 7.81 134 I 8.08 5.07 2.11 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 1.34 0.75 0.94 0.00 0.00 135 G 8.07 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 0.00 136 K 8.17 4.44 0.00 1.70 1.71 0.00 1.86 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.42 7.81 137 F 8.67 3.61 0.00 2.73 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 0.00 138 G 7.39 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 0.00 0.00 0.00 139 N 7.58 4.96 0.00 2.97 2.68 0.00 0.00 7.10 7.46 0.00 0.00 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 8.74 4.10 0.00 2.94 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 0.00 141 M 6.98 4.84 0.00 1.72 1.67 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.42 0.00 142 N 8.72 4.75 0.00 2.90 2.65 0.00 0.00 7.05 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 0.00 143 I 8.20 5.40 1.92 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 1.33 1.72 0.98 0.00 0.00 144 D 8.58 4.55 0.00 2.61 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 8.45 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 0.85 0.00 0.00 1.01 0.00 0.00 146 T 8.64 4.53 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 1.22 0.00 0.00 147 N 8.73 4.88 0.00 2.62 2.78 0.00 0.00 6.97 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 9.95 4.21 0.00 2.75 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 0.00 149 G 9.06 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 0.00 150 P 0.00 4.63 0.00 2.21 2.09 0.00 3.33 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 151 V 8.05 4.53 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 1.12 0.00 0.00 1.00 0.00 0.00 152 T 8.69 5.17 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 1.26 0.00 0.00 153 I 9.02 4.66 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.97 0.91 0.00 0.00 154 Y 8.63 5.28 0.00 2.88 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 7.44 4.49 1.78 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 1.15 0.38 1.00 0.00 0.00 156 D 8.37 5.26 0.00 2.61 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 0.00 157 T 8.81 3.92 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 1.27 0.00 0.00 158 H 8.61 4.36 0.00 3.15 3.38 0.00 5.66 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 0.00 159 D 7.69 4.63 0.00 2.78 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 0.00 160 I 7.15 4.57 1.49 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 1.21 0.00 0.44 0.00 0.00 161 N 8.53 4.48 0.00 2.68 2.70 0.00 0.00 6.80 7.56 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 * Residues marked with a * may have inaccurate shift predictions.