NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3339 8.3049 120.3445 55.1494 33.1765 174.4841 2 K 3.9910 8.6001 125.5559 54.5507 33.9988 173.9701 3 T 3.9966 8.2689 122.3990 62.3026 71.9788 173.2458 4 Y 4.6147 8.4156 114.4837 59.5399 43.6082 175.3535 5 V 3.2419 7.0060 118.4583 60.5596 31.7225 173.1712 6 P 4.6642 0.0000 0.0000 61.6319 32.5774 175.9444 7 K 4.2849 8.3431 119.3544 55.8274 32.8454 175.4717 8 Q 3.9625 8.3593 121.9287 55.2502 28.3221 177.6330 9 V 3.7220 7.8038 121.1957 62.8282 32.4341 174.4281 10 E 4.4928 8.3757 123.3703 53.4772 30.5058 173.8449 11 P 4.4414 0.0000 0.0000 63.1380 30.1754 174.7744 12 R 4.3729 8.4002 126.0298 56.0462 31.1553 175.8890 13 W 4.9460 9.1755 126.3845 56.7141 30.7813 175.5035 14 V 4.6367 8.5332 119.0120 61.8599 34.9661 172.3827 15 L 5.3089 8.3785 127.3037 53.5351 45.6058 174.7629 16 I 4.5843 8.4830 123.4994 60.4525 42.0953 173.2208 17 D 4.8247 8.6976 128.1724 53.5685 42.3515 174.6680 18 A 4.5594 8.1038 132.6162 49.5566 18.2165 177.1088 19 E 3.8904 8.2475 121.8454 58.5367 30.1505 180.3208 20 G 3.9252 7.8099 107.0234 45.3131 0.0000 172.8302 21 K 4.5862 8.0175 120.5111 54.1413 35.7737 175.5153 22 T 5.1553 8.7627 122.4134 63.0226 68.4368 173.1674 23 L 3.9954 8.4278 126.5863 57.8612 40.0228 175.9177 24 G 4.3486 9.2737 111.2713 46.4136 0.0000 175.9573 25 R 4.0464 8.1599 118.2071 57.6218 30.2794 177.9755 26 L 4.5894 7.7723 117.5600 56.1652 41.8378 177.8183 27 A 4.1895 7.9045 120.4199 54.0768 18.5057 178.6281 28 T 3.8253 7.5897 111.0328 64.0347 67.5356 176.8807 29 K 4.0099 7.7740 120.1762 59.5296 32.3317 178.8499 30 I 3.6279 7.6822 119.7760 64.6092 36.9679 178.0662 31 A 3.9486 7.5483 120.7963 55.7252 18.3327 179.7960 32 T 3.7368 7.4322 112.6004 66.7507 68.2892 176.8317 33 L 3.9332 7.8607 120.9388 57.5105 41.6878 179.3031 34 L 3.9900 8.1673 119.2511 56.5112 42.6178 177.4441 35 R 4.9765 7.4386 118.5118 55.9699 28.7523 176.7997 36 G 4.1983 6.8117 108.3982 47.3594 0.0000 171.3285 37 K 4.1012 8.7796 123.3463 56.2972 33.0700 176.4691 38 H 4.5883 8.3647 112.8117 56.8874 29.7508 175.2561 39 R 4.5095 7.5020 117.3737 53.4508 30.8462 175.2841 40 P 4.3511 0.0000 0.0000 64.3022 30.9240 176.0833 41 D 4.7581 8.4688 116.9315 53.7629 41.0858 176.2866 42 W 4.4147 8.1571 129.0277 58.5047 30.7609 175.4540 43 T 3.9481 6.8827 121.4812 61.0013 70.8803 171.4839 44 P 3.8171 0.0000 0.0000 64.7644 30.9576 175.6878 45 N 4.6606 7.0867 116.2676 50.7846 36.3487 172.7239 46 V 3.7845 7.2774 129.2669 59.0622 37.4394 172.9438 47 A 4.2710 7.9824 126.0032 52.5597 15.8517 177.8219 48 M 4.5964 7.7699 121.0532 54.3761 33.2956 176.9072 49 G 4.3259 7.7789 105.7379 45.5955 0.0000 174.0527 50 D 5.0294 8.2567 125.4333 53.0825 41.6907 176.1324 51 F 3.6537 9.0125 122.8353 57.9173 39.5678 174.0372 52 V 4.4965 8.0549 124.6830 61.8465 32.9596 174.7871 53 V 4.8283 8.9597 128.4965 61.9257 34.0064 175.0060 54 V 5.5265 9.1079 125.9671 60.2094 32.9083 175.1122 55 V 4.1664 8.3126 126.5862 59.8329 33.1483 175.5411 56 N 4.1472 8.6238 116.0235 54.6030 37.3543 174.6138 57 A 4.3598 8.5317 125.5634 51.8491 18.6800 176.2799 58 D 3.9141 8.9252 112.2586 56.0629 41.4213 175.6864 59 K 4.4573 8.7426 114.4289 58.3744 31.5084 175.5315 60 I 4.4715 8.4094 118.1041 61.0365 38.2388 175.4070 61 R 4.6995 8.8619 123.8242 54.5546 32.3044 175.7633 62 V 4.5297 7.7762 123.0030 60.4213 33.3770 177.0030 63 T 3.7857 7.6464 117.4001 62.4606 71.9692 176.6547 64 G 4.1492 8.3014 123.4668 45.3063 0.0000 175.8552 65 K 3.9150 8.7817 129.2947 57.0400 31.1465 175.9873 66 K 4.6146 8.3805 120.6757 55.7971 34.2586 176.3173 67 L 4.6195 7.9645 118.6022 54.9746 43.9325 175.9556 68 E 4.2522 9.2976 123.5970 56.3252 27.8981 176.4189 69 Q 4.1539 7.8992 116.0920 58.0331 29.5857 175.9301 70 K 4.2327 7.8157 119.7185 56.0618 33.2696 175.4547 71 I 4.8633 8.1111 127.0168 59.8105 41.0049 174.3468 72 Y 4.4871 9.2618 122.8531 56.8644 40.6290 174.8064 73 T 5.2350 8.2233 116.4098 62.4195 72.8737 174.1466 74 R 4.4610 8.3592 120.0941 55.8118 35.1945 173.4267 75 Y 5.1780 8.7406 126.6206 55.5303 40.1199 174.8941 76 S 4.1281 8.4459 122.5613 57.5986 63.9269 175.9310 77 G 3.7518 8.8655 112.6482 48.1961 0.0000 173.0649 78 Y 4.2301 8.1474 117.8388 56.3350 38.7501 173.1546 79 P 4.5355 0.0000 0.0000 63.9680 31.9931 177.2940 80 G 3.9659 9.2353 109.7367 45.9485 0.0000 175.0437 81 G 3.8945 7.9796 107.5103 46.0850 0.0000 173.0531 82 L 4.7939 7.8809 122.7694 54.6466 42.5573 175.8868 83 K 4.6824 9.2749 127.3474 54.5516 35.0533 174.4916 84 K 5.0532 8.7368 126.2229 54.8654 34.4391 175.8522 85 I 4.6814 8.5823 124.9342 59.0108 39.6340 173.8560 86 P 5.2194 0.0000 0.0000 61.2972 32.7548 177.4323 87 L 3.9710 8.8020 117.5078 58.5115 41.4770 179.7473 88 E 3.8909 7.9910 118.0582 59.4295 29.5553 179.9247 89 K 3.9843 7.6130 117.7507 59.6619 31.8847 179.1727 90 M 4.0368 8.0345 118.1691 58.4656 31.9887 178.3005 91 L 4.0967 7.8722 117.1355 58.0536 41.9902 178.9469 92 A 4.2069 7.8219 119.1339 54.0242 18.4007 177.9425 93 T 4.2768 7.5988 111.2344 61.9739 70.6931 173.0483 94 H 4.8576 9.1381 125.3498 56.6908 25.0831 174.3028 95 P 4.6053 0.0000 0.0000 63.6887 31.6301 177.5559 96 E 4.1877 7.9965 119.3262 58.7076 30.3209 178.3035 97 R 3.9395 7.9143 118.5042 59.0908 29.8867 178.5916 98 V 3.6136 7.7822 116.7736 65.5285 31.5125 176.9352 99 L 4.3939 7.5659 118.5289 57.1888 42.0057 177.6548 100 E 4.1241 8.6946 118.8294 60.0495 29.4214 179.0378 101 H 4.3171 8.7503 115.7764 59.1085 28.9227 177.3590 102 A 4.2618 8.0902 119.5215 53.5924 18.8628 177.7674 103 V 4.2301 7.6592 114.3120 64.1593 33.4426 177.3718 104 K 4.1512 9.6615 121.2097 59.3487 32.0729 178.8103 105 G 3.5959 7.8347 107.4091 48.3632 0.0000 174.0060 106 M 4.4466 8.4177 117.7706 54.7899 32.0549 175.3858 107 L 4.6876 7.3470 119.8583 51.8235 43.6043 174.7864 108 P 4.3822 0.0000 0.0000 63.0325 31.5636 177.0823 109 K 3.9423 8.5582 117.7427 58.6014 32.5395 177.8619 110 G 3.9863 8.0038 107.2070 44.8225 0.0000 171.8746 111 P 4.3321 0.0000 0.0000 66.0473 30.9337 177.6989 112 L 4.0626 8.2047 118.7212 58.4445 41.6406 178.1819 113 G 3.8808 7.7498 106.5739 45.5298 0.0000 174.0188 114 R 4.2640 7.4212 120.2473 58.6509 30.6036 178.2136 115 R 3.9318 8.2048 118.7783 59.3168 29.9092 178.1709 116 L 3.9935 8.1475 117.6477 56.7426 40.2729 178.3782 117 F 4.3503 8.1365 120.7573 59.9630 39.2000 177.5475 118 K 4.1406 7.8878 117.8581 59.3802 32.1389 178.4105 119 R 3.2351 7.7392 116.7176 58.9622 29.9632 176.6406 120 L 3.9323 6.6225 117.5426 55.6650 42.6709 175.8561 121 K 4.3742 9.0641 126.8198 54.6747 35.0124 174.7325 122 V 5.0138 8.1061 126.8930 61.4102 34.2941 174.0470 123 Y 4.8700 9.1288 123.0164 55.6670 42.6754 175.3017 124 A 4.9081 8.2875 124.5306 51.6177 19.5332 178.9082 125 G 4.2158 7.4688 120.5467 43.6296 0.0000 173.9943 126 P 4.2689 0.0000 0.0000 62.9859 30.8914 172.3667 127 D 4.5456 8.8657 121.3621 55.1947 37.8739 174.5183 128 H 4.0961 8.0565 122.0133 51.7919 27.3842 169.0855 129 P 4.0106 0.0000 0.0000 63.7641 30.6570 173.4897 130 H 4.2352 7.2186 124.8386 55.4513 30.1823 175.2486 131 Q 4.1578 7.9486 127.9910 54.4298 28.9115 174.6680 132 A 4.2659 8.6447 125.7413 50.9780 20.4888 174.5115 133 Q 5.2021 7.5085 113.9406 53.3084 30.4598 173.0396 134 R 5.1942 7.3923 119.7123 55.9406 30.0211 173.7711 135 P 4.5961 0.0000 0.0000 65.3007 29.8015 176.2400 136 E 3.8234 6.9009 117.1817 54.9072 31.3358 176.1091 137 K 4.8986 8.9907 126.6972 55.1835 35.5166 175.9702 138 L 4.5398 8.0306 116.6156 54.8299 42.7895 176.5948 *139 E 4.1515 7.9440 117.6276 56.0769 30.3597 177.3215 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 8.30 4.33 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 2 K 8.60 3.99 0.00 1.84 1.48 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.54 7.81 3 T 8.27 4.00 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 1.16 0.00 0.00 4 Y 8.42 4.61 0.00 2.92 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 5 V 7.01 3.24 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 0.79 0.00 0.00 0.94 0.00 0.00 6 P 0.00 4.66 0.00 2.23 2.05 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 7 K 8.34 4.28 0.00 1.78 1.80 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.46 7.81 8 Q 8.36 3.96 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 9 V 7.80 3.72 2.12 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 0.79 0.00 0.00 1.00 0.00 0.00 10 E 8.38 4.49 0.00 1.97 1.87 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 2.25 2.39 0.00 11 P 0.00 4.44 0.00 2.02 2.37 0.00 3.87 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 12 R 8.40 4.37 0.00 2.01 1.94 0.00 3.24 0.00 0.00 3.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 13 W 9.18 4.95 0.00 3.19 3.29 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 14 V 8.53 4.64 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 0.95 0.00 0.00 1.01 0.00 0.00 15 L 8.38 5.31 0.00 1.71 1.45 0.90 0.75 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 16 I 8.48 4.58 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 1.13 0.94 0.93 0.00 0.00 17 D 8.70 4.82 0.00 2.88 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 18 A 8.10 4.56 1.28 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 0.00 0.00 19 E 8.25 3.89 0.00 2.27 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 20 G 7.81 3.93 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 0.00 0.00 0.00 21 K 8.02 4.59 0.00 1.93 1.61 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.53 7.81 22 T 8.76 5.16 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 1.26 0.00 0.00 23 L 8.43 4.00 0.00 1.67 1.73 1.03 0.58 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 24 G 9.27 4.35 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 0.00 25 R 8.16 4.05 0.00 1.97 2.00 0.00 3.28 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 26 L 7.77 4.59 0.00 1.88 1.89 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.90 4.19 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 28 T 7.59 3.83 4.44 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 0.00 0.00 0.00 1.24 0.00 0.00 29 K 7.77 4.01 0.00 1.94 1.79 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.51 7.81 30 I 7.68 3.63 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 1.44 0.90 0.88 0.00 0.00 31 A 7.55 3.95 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 32 T 7.43 3.74 4.23 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 1.08 0.00 0.00 33 L 7.86 3.93 0.00 1.87 1.64 0.84 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.17 3.99 0.00 1.79 1.70 0.81 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.44 4.98 0.00 1.66 2.33 0.00 3.23 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 36 G 6.81 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 0.00 0.00 0.00 0.00 37 K 8.78 4.10 0.00 1.63 1.50 0.00 1.07 0.00 0.00 1.35 0.00 0.00 2.63 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.68 0.21 7.81 38 H 8.36 4.59 0.00 3.30 3.34 0.00 5.56 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.50 4.51 0.00 2.36 2.02 0.00 2.92 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.52 0.00 40 P 0.00 4.35 0.00 2.21 2.22 0.00 3.74 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 2.01 2.02 0.00 41 D 8.47 4.76 0.00 2.65 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 42 W 8.16 4.41 0.00 3.31 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 43 T 6.88 3.95 3.91 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 1.08 0.00 0.00 44 P 0.00 3.82 0.00 2.12 2.26 0.00 3.34 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.92 0.00 45 N 7.09 4.66 0.00 2.75 2.80 0.00 0.00 5.88 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.28 3.78 1.95 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 0.39 0.00 0.00 0.88 0.00 0.00 47 A 7.98 4.27 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 48 M 7.77 4.60 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 49 G 7.78 4.33 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 0.00 50 D 8.26 5.03 0.00 2.56 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 51 F 9.01 3.65 0.00 1.51 1.57 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 52 V 8.05 4.50 2.03 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 0.96 0.00 0.00 0.94 0.00 0.00 53 V 8.96 4.83 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 1.22 0.00 0.00 1.38 0.00 0.00 54 V 9.11 5.53 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 0.99 0.00 0.00 0.95 0.00 0.00 55 V 8.31 4.17 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 0.74 0.00 0.00 0.96 0.00 0.00 56 N 8.62 4.15 0.00 2.81 3.31 0.00 0.00 6.90 7.96 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 57 A 8.53 4.36 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 58 D 8.93 3.91 0.00 2.77 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 59 K 8.74 4.46 0.00 1.93 1.98 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.40 7.81 60 I 8.41 4.47 1.90 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 1.27 0.33 0.98 0.00 0.00 61 R 8.86 4.70 0.00 1.80 1.84 0.00 3.23 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 62 V 7.78 4.53 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.95 0.00 0.00 63 T 7.65 3.79 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 64 G 8.30 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.78 3.92 0.00 1.75 1.84 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.42 7.81 66 K 8.38 4.61 0.00 1.76 1.74 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.39 7.81 67 L 7.96 4.62 0.00 1.59 1.57 0.94 1.11 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 68 E 9.30 4.25 0.00 2.06 2.37 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 2.17 2.29 0.00 69 Q 7.90 4.15 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 70 K 7.82 4.23 0.00 1.86 1.83 0.00 1.42 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.48 1.28 7.81 71 I 8.11 4.86 1.82 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 1.34 0.93 0.93 0.00 0.00 72 Y 9.26 4.49 0.00 3.11 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 73 T 8.22 5.23 4.28 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 1.26 0.00 0.00 74 R 8.36 4.46 0.00 1.82 1.83 0.00 3.09 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 75 Y 8.74 5.18 0.00 2.93 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 76 S 8.45 4.13 0.00 3.86 3.86 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 0.00 0.00 0.00 0.00 77 G 8.87 3.75 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 0.00 0.00 0.00 78 Y 8.15 4.23 0.00 3.00 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 79 P 0.00 4.54 0.00 2.11 2.05 0.00 3.96 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 80 G 9.24 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 0.00 0.00 0.00 81 G 7.98 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 0.00 0.00 0.00 82 L 7.88 4.79 0.00 1.86 1.67 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 83 K 9.27 4.68 0.00 1.84 1.63 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.39 7.81 84 K 8.74 5.05 0.00 1.68 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.46 7.81 85 I 8.58 4.68 1.95 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 1.31 1.04 0.94 0.00 0.00 86 P 0.00 5.22 0.00 2.26 2.23 0.00 3.90 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 87 L 8.80 3.97 0.00 1.89 1.81 1.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.99 3.89 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 89 K 7.61 3.98 0.00 1.99 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.63 7.81 90 M 8.03 4.04 0.00 1.79 2.17 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 1.97 2.56 0.00 91 L 7.87 4.10 0.00 1.62 1.75 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.82 4.21 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 93 T 7.60 4.28 4.13 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 0.00 0.00 1.16 0.00 0.00 94 H 9.14 4.86 0.00 3.36 3.32 0.00 5.95 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.61 0.00 2.22 2.46 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 96 E 8.00 4.19 0.00 2.24 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 0.00 2.20 2.43 0.00 97 R 7.91 3.94 0.00 1.79 2.06 0.00 3.12 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 98 V 7.78 3.61 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 0.88 0.00 0.00 0.86 0.00 0.00 99 L 7.57 4.39 0.00 1.74 1.82 0.95 1.03 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 0.00 100 E 8.69 4.12 0.00 2.14 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 2.35 2.61 0.00 101 H 8.75 4.32 0.00 3.52 3.60 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.09 4.26 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.66 4.23 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 0.88 0.00 0.00 1.06 0.00 0.00 104 K 9.66 4.15 0.00 1.02 1.65 0.00 1.28 0.00 0.00 1.35 0.00 0.00 2.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.02 7.81 105 G 7.83 3.60 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 0.00 0.00 0.00 106 M 8.42 4.45 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 107 L 7.35 4.69 0.00 1.72 1.61 1.08 0.98 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 0.00 108 P 0.00 4.38 0.00 2.24 2.26 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 109 K 8.56 3.94 0.00 1.75 1.89 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.48 7.81 110 G 8.00 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 0.00 0.00 0.00 111 P 0.00 4.33 0.00 2.16 2.13 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 112 L 8.20 4.06 0.00 1.75 1.59 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.75 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 0.00 114 R 7.42 4.26 0.00 2.06 2.13 0.00 3.10 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 1.58 1.59 0.00 115 R 8.20 3.93 0.00 2.06 2.05 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 116 L 8.15 3.99 0.00 1.65 1.72 0.99 0.71 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 0.00 117 F 8.14 4.35 0.00 3.11 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 0.00 118 K 7.89 4.14 0.00 1.75 1.81 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.52 7.81 119 R 7.74 3.24 0.00 1.53 1.25 0.00 2.21 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.12 0.00 120 L 6.62 3.93 0.00 1.45 1.27 0.70 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 121 K 9.06 4.37 0.00 2.10 1.85 0.00 1.37 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.52 1.41 7.81 122 V 8.11 5.01 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 0.88 0.00 0.00 0.90 0.00 0.00 123 Y 9.13 4.87 0.00 2.94 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 0.00 124 A 8.29 4.91 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 0.00 125 G 7.47 4.22 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 0.00 0.00 0.00 126 P 0.00 4.27 0.00 2.20 2.15 0.00 3.81 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 127 D 8.87 4.55 0.00 2.79 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 0.00 128 H 8.06 4.10 0.00 3.04 3.25 0.00 5.50 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.01 0.00 2.16 2.14 0.00 3.39 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.95 0.00 130 H 7.22 4.24 0.00 3.41 3.51 0.00 5.52 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.95 4.16 0.00 1.84 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 132 A 8.64 4.27 0.56 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 0.00 0.00 133 Q 7.51 5.20 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.55 0.00 0.00 0.00 0.00 0.00 2.15 2.06 0.00 134 R 7.39 5.19 0.00 1.97 1.95 0.00 3.11 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.43 0.00 135 P 0.00 4.60 0.00 2.12 2.11 0.00 3.93 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 136 E 6.90 3.82 0.00 1.95 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 2.30 2.48 0.00 137 K 8.99 4.90 0.00 1.72 1.73 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.54 7.81 138 L 8.03 4.54 0.00 1.58 1.56 0.93 0.81 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 *139 E 7.94 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.