NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2191 8.3144 121.7898 55.6467 33.4316 174.4318 2 E 3.7785 8.6903 119.7734 55.1351 29.8547 176.0882 3 T 4.1668 8.7399 118.2421 61.3440 72.0983 174.9297 4 A 3.9937 8.6398 124.0875 55.4111 18.3785 180.1131 5 A 4.1061 7.9712 118.4962 55.4158 18.5582 179.6279 6 A 4.2980 8.0552 120.7176 54.4152 18.3435 179.7246 7 K 4.0536 8.3148 118.4219 59.7750 32.3007 178.7251 8 F 4.0472 8.4173 120.8521 61.4347 38.7638 176.9801 9 E 4.0686 8.4299 118.3053 59.2746 29.0342 179.3187 10 R 3.9240 8.2091 118.4084 59.5598 30.2844 178.2758 11 Q 3.9834 7.9777 116.7042 58.0085 29.0804 176.4827 12 H 4.5465 7.7491 113.1355 53.5640 30.9743 172.6129 13 M 4.7378 7.5580 120.0239 54.1378 32.9187 176.4303 14 D 4.8395 8.7633 123.0089 52.9676 41.2920 175.9418 15 S 4.3504 7.9953 119.3112 61.3718 63.6560 176.7668 16 S 4.1829 8.0815 112.7542 59.4004 62.9171 173.7468 17 T 4.6021 7.5199 112.7517 59.5723 70.4044 175.2340 18 S 4.1771 8.8520 120.9475 60.7225 63.3460 173.7636 19 A 3.7805 6.6634 120.9274 50.9857 22.0788 175.3995 20 A 3.7772 8.7232 124.3262 51.7491 18.5611 178.2691 21 S 4.4125 8.5588 119.1604 59.2359 64.0001 174.3878 22 S 4.8738 7.6468 114.5291 55.8556 64.4836 174.8147 23 S 4.1673 8.6339 119.9034 61.1192 63.1635 174.7080 24 N 4.7578 8.1446 116.9394 53.3309 38.7965 175.9040 25 Y 3.9820 7.9310 121.7429 61.2223 38.6433 177.8067 26 C 4.1773 8.4092 117.1378 59.8622 38.5517 175.5930 27 N 4.3731 8.2329 117.6753 56.4978 38.1944 176.9487 28 Q 3.8802 7.8270 120.4658 59.6155 29.3341 178.2063 29 M 3.6876 7.6442 119.8484 58.4138 31.8165 178.7941 30 M 4.0940 8.1891 119.2641 57.7503 32.0062 178.8678 31 K 3.9368 7.5892 118.9835 59.5104 32.3542 179.0175 32 S 4.3059 7.8935 112.1554 60.2333 63.0621 175.2919 33 R 4.3998 7.4862 120.4983 55.0583 30.3081 175.5551 34 N 4.2188 7.8909 114.4505 54.7336 36.7229 174.9076 35 L 4.5704 8.0506 116.4623 55.0146 42.4769 177.9517 36 T 5.5262 7.5411 107.7360 60.5914 68.9059 175.8596 37 K 4.1731 8.1914 121.5631 59.6794 32.3724 177.7939 38 D 4.6820 7.7193 116.6902 53.8861 42.2645 176.4423 39 R 4.0260 7.2878 117.5765 54.9828 32.7868 174.1962 40 C 4.8820 8.7127 120.7784 56.0199 38.8008 173.6391 41 K 4.1731 8.7651 127.2307 55.8618 31.8761 175.6477 42 P 4.8531 0.0000 0.0000 65.1501 32.5762 176.7811 43 V 4.9586 7.3862 117.5734 61.4029 34.5388 174.0154 44 N 4.9168 9.0427 124.8353 52.7406 42.8181 172.9823 45 T 4.7469 7.7094 118.7690 61.7677 72.7813 172.7190 46 F 4.7451 8.9797 124.9995 55.8325 41.7583 174.8327 47 V 4.4798 8.8348 122.8366 61.0974 33.6158 175.5468 48 H 5.4981 8.5871 128.0812 53.8002 26.3570 172.8552 49 E 4.7930 7.6773 118.4451 53.4235 34.5515 176.2906 50 S 4.4225 8.3147 114.4274 58.1022 65.0769 174.7914 51 L 3.9812 8.5148 124.2299 58.4316 41.7921 179.2238 52 A 3.9957 7.9742 120.1863 55.0843 18.1575 179.0571 53 D 4.3007 7.7992 116.3098 57.7355 41.1664 179.0287 54 V 3.7784 7.8072 118.5679 66.1453 31.6590 178.1063 55 Q 3.9039 8.5717 118.0335 58.6123 28.5148 178.2910 56 A 4.0086 8.2723 122.0231 54.9420 18.2921 179.6409 57 V 3.4760 7.5418 116.7650 66.2597 31.2635 177.1284 58 C 3.7894 7.7670 114.4208 58.0336 39.9228 174.2340 59 S 4.6772 7.4769 114.3340 57.9944 63.7721 174.5182 60 Q 4.3888 7.2548 120.3388 56.1726 30.6232 178.2978 61 K 4.2293 8.2415 133.1801 56.8181 32.7296 175.1648 62 N 4.0086 8.6695 127.5909 53.6436 39.5787 174.2560 63 V 4.5772 8.3310 118.2459 59.2358 36.9387 174.4101 64 A 4.3779 8.3641 123.5283 52.1404 19.0607 178.5588 65 C 4.5400 9.6094 120.2202 55.9155 41.3838 175.2362 66 K 3.8064 8.4772 121.1058 59.8088 31.5841 178.4666 67 N 4.4340 7.9860 112.4393 53.5856 37.0938 175.7576 68 G 3.9409 8.2490 108.3128 45.4957 0.0000 173.9349 69 Q 4.2472 8.7369 119.8265 55.0841 29.7828 175.2252 70 T 4.8077 8.0359 111.1814 59.7419 69.2444 174.7497 *72 C 4.7990 8.3115 123.3589 57.0075 40.9907 172.5816 73 Y 5.0212 8.8649 118.0664 56.4103 41.6518 173.9790 74 Q 5.0567 9.0525 125.8832 54.2062 31.3347 174.8809 75 S 4.2135 8.8748 122.0644 58.5429 63.5860 175.2330 76 Y 4.3498 8.5748 121.3002 60.2917 37.9811 176.1122 77 S 5.1180 7.2804 110.3191 56.0970 66.0504 174.4744 78 T 4.1615 8.3169 110.6469 62.1608 69.7036 173.4436 79 M 4.9279 8.7883 121.3324 53.3517 37.0678 174.6623 80 S 4.7105 9.2108 117.2877 58.5355 63.4794 173.0969 81 I 5.2013 9.4041 120.4534 59.5007 41.7651 174.4014 82 T 5.0481 8.7094 118.4407 61.8669 71.9464 173.0834 83 A 4.6672 8.9139 129.0890 51.1538 20.9803 175.0999 84 C 5.5087 9.5568 119.5047 55.1483 43.1157 173.0501 85 R 5.2736 8.6699 124.0560 54.0085 32.7123 174.1484 86 E 3.8915 9.1552 128.4999 56.7879 30.0917 177.0645 87 T 4.3023 8.0375 117.1617 60.5011 70.2579 174.9818 88 G 3.7046 8.5541 110.3574 48.2869 0.0000 174.2098 89 S 4.6001 7.4715 112.6269 58.3056 63.6854 173.6813 90 S 4.5842 7.9552 115.6407 57.3628 63.6781 172.7252 91 K 4.5251 8.2522 127.7799 54.2391 34.5656 174.5647 92 Y 4.2889 8.6441 127.5704 57.3943 39.2806 174.0591 93 P 3.2849 0.0000 0.0000 62.5725 31.7655 176.7919 94 N 4.6105 7.6902 119.0352 52.3564 36.9167 172.8721 95 C 4.4036 8.0791 117.3536 56.2807 36.0315 173.0224 96 A 5.1229 8.3324 125.7955 50.3139 21.4257 174.6066 97 Y 5.0524 9.1075 119.1572 55.8851 41.7497 175.1776 98 K 4.3852 9.0680 124.4696 56.1862 33.8058 175.5160 99 T 4.7762 8.5870 124.2530 62.9058 69.9756 174.3534 100 T 4.4899 8.6575 123.4014 61.5873 71.0313 173.0486 101 Q 4.6299 8.6474 127.9611 55.9765 30.0590 174.7215 102 A 4.5667 9.1001 126.0104 51.2724 23.4807 175.1445 103 N 5.3241 8.7742 117.3812 51.7345 39.6083 174.3917 104 K 4.7845 8.7742 122.5865 54.4384 37.2397 175.9604 105 H 4.7402 8.8876 119.7364 56.0071 29.9256 174.6915 106 I 4.9492 8.5714 115.0061 59.2523 41.0029 174.3352 107 I 4.8826 8.2280 124.0264 59.6956 40.1434 175.0716 108 V 4.6812 8.4419 119.5016 59.2348 35.8581 174.5903 109 A 4.6831 8.5680 125.4843 51.5205 19.9693 175.8801 110 C 5.0740 8.3589 119.0299 55.3181 37.7072 172.8459 111 E 4.5475 8.5603 120.3866 56.5867 33.4761 175.6902 112 G 4.2108 9.6029 110.6326 44.8166 0.0000 171.8615 113 N 5.1058 8.1050 116.0631 50.8859 40.0485 172.1275 114 P 4.3737 0.0000 0.0000 62.5359 32.2028 176.0834 115 Y 4.7967 8.2446 121.5730 56.5683 38.5929 174.5275 116 V 4.4311 7.9850 118.9399 58.3417 36.7933 173.4222 117 P 4.3246 0.0000 0.0000 62.8505 31.1452 176.9141 118 V 4.4378 8.1677 116.1068 61.2519 33.4496 175.1810 119 H 4.8178 7.8931 119.3884 55.1204 33.3553 171.6987 120 F 4.6874 8.8334 128.0917 57.2575 39.7971 174.1386 121 D 4.6892 8.6191 127.1970 55.8182 41.3411 176.3974 122 A 4.9100 6.9658 117.1254 51.1309 23.0393 173.6299 123 S 5.1532 8.7185 111.5582 56.7428 66.3048 174.5870 124 V 4.1063 8.7666 121.5651 63.1567 31.7127 175.0122 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 K 8.31 4.22 0.00 1.74 1.83 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 2 E 8.69 3.78 0.00 2.05 1.88 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 2.32 2.37 0.00 3 T 8.74 4.17 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 1.22 0.00 0.00 4 A 8.64 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 4.11 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 6 A 8.06 4.30 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.31 4.05 0.00 1.98 2.03 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.44 7.81 8 F 8.42 4.05 0.00 3.17 3.21 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 9 E 8.43 4.07 0.00 2.31 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 2.46 2.63 0.00 10 R 8.21 3.92 0.00 1.76 2.06 0.00 3.36 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 11 Q 7.98 3.98 0.00 1.61 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.50 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 12 H 7.75 4.55 0.00 2.04 2.64 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.56 4.74 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.75 0.00 14 D 8.76 4.84 0.00 2.75 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.00 4.35 0.00 3.96 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 16 S 8.08 4.18 0.00 3.99 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 17 T 7.52 4.60 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 18 S 8.85 4.18 0.00 3.97 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 6.66 3.78 1.12 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 0.00 0.00 20 A 8.72 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.56 4.41 0.00 3.86 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 22 S 7.65 4.87 0.00 3.85 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 23 S 8.63 4.17 0.00 4.05 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 24 N 8.14 4.76 0.00 2.83 2.88 0.00 0.00 6.48 7.11 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 25 Y 7.93 3.98 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.41 4.18 0.00 3.17 3.08 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 27 N 8.23 4.37 0.00 2.90 2.91 0.00 0.00 6.76 7.69 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 28 Q 7.83 3.88 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 29 M 7.64 3.69 0.00 0.73 1.12 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.58 0.00 30 M 8.19 4.09 0.00 1.66 1.80 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 2.42 0.00 31 K 7.59 3.94 0.00 1.97 1.89 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 32 S 7.89 4.31 0.00 4.00 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 33 R 7.49 4.40 0.00 1.96 2.09 0.00 3.62 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.02 0.00 34 N 7.89 4.22 0.00 2.90 2.91 0.00 0.00 6.80 7.80 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 35 L 8.05 4.57 0.00 1.81 1.65 0.82 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.54 5.53 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 1.42 0.00 0.00 37 K 8.19 4.17 0.00 1.81 1.92 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.43 7.81 38 D 7.72 4.68 0.00 2.60 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 39 R 7.29 4.03 0.00 1.63 1.65 0.00 3.12 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 40 C 8.71 4.88 0.00 3.14 3.08 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 41 K 8.77 4.17 0.00 1.96 1.78 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.43 7.81 42 P 0.00 4.85 0.00 2.15 2.10 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 43 V 7.39 4.96 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 0.75 0.00 0.00 0.98 0.00 0.00 44 N 9.04 4.92 0.00 2.67 2.28 0.00 0.00 6.59 6.49 0.00 0.00 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 T 7.71 4.75 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 0.87 0.00 0.00 46 F 8.98 4.75 0.00 3.02 2.86 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 47 V 8.83 4.48 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 1.08 0.00 0.00 1.01 0.00 0.00 48 H 8.59 5.50 0.00 3.18 3.41 0.00 5.61 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 49 E 7.68 4.79 0.00 1.94 1.86 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 2.26 2.27 0.00 50 S 8.31 4.42 0.00 4.07 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 51 L 8.51 3.98 0.00 1.82 1.74 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.97 4.00 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 53 D 7.80 4.30 0.00 2.88 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 54 V 7.81 3.78 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 1.21 0.00 0.00 1.07 0.00 0.00 55 Q 8.57 3.90 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 56 A 8.27 4.01 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 57 V 7.54 3.48 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 0.97 0.00 0.00 1.00 0.00 0.00 58 C 7.77 3.79 0.00 2.92 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.48 4.68 0.00 3.96 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 60 Q 7.25 4.39 0.00 1.67 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.04 0.00 0.00 0.00 0.00 0.00 2.05 2.27 0.00 61 K 8.24 4.23 0.00 1.98 1.83 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.44 7.81 62 N 8.67 4.01 0.00 2.58 2.58 0.00 0.00 6.99 7.71 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 63 V 8.33 4.58 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 0.76 0.00 0.00 0.86 0.00 0.00 64 A 8.36 4.38 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 C 9.61 4.54 0.00 3.10 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 66 K 8.48 3.81 0.00 1.77 1.88 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.38 7.81 67 N 7.99 4.43 0.00 2.79 2.91 0.00 0.00 6.20 7.00 0.00 0.00 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 G 8.25 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 69 Q 8.74 4.25 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 70 T 8.04 4.81 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 1.15 0.00 0.00 *72 C 8.31 4.80 0.00 3.00 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 73 Y 8.86 5.02 0.00 2.79 2.86 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 74 Q 9.05 5.06 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 75 S 8.87 4.21 0.00 3.95 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 76 Y 8.57 4.35 0.00 3.05 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 77 S 7.28 5.12 0.00 3.95 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 78 T 8.32 4.16 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 79 M 8.79 4.93 0.00 1.98 1.99 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 2.55 2.50 0.00 80 S 9.21 4.71 0.00 3.93 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 81 I 9.40 5.20 1.87 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 1.28 1.35 1.05 0.00 0.00 82 T 8.71 5.05 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 1.14 0.00 0.00 83 A 8.91 4.67 1.25 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 0.00 0.00 0.00 84 C 9.56 5.51 0.00 2.90 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 85 R 8.67 5.27 0.00 1.87 1.81 0.00 3.14 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 86 E 9.16 3.89 0.00 1.78 1.77 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 2.15 1.88 0.00 87 T 8.04 4.30 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 1.23 0.00 0.00 88 G 8.55 3.70 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 0.00 89 S 7.47 4.60 0.00 4.01 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 90 S 7.96 4.58 0.00 3.79 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 91 K 8.25 4.53 0.00 1.76 1.58 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.41 7.81 92 Y 8.64 4.29 0.00 3.11 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 93 P 0.00 3.28 0.00 1.71 1.04 0.00 3.66 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 94 N 7.69 4.61 0.00 2.78 2.77 0.00 0.00 6.94 7.29 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 95 C 8.08 4.40 0.00 3.13 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 96 A 8.33 5.12 1.16 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 97 Y 9.11 5.05 0.00 2.87 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 98 K 9.07 4.39 0.00 1.87 1.74 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.45 7.81 99 T 8.59 4.78 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 100 T 8.66 4.49 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 1.23 0.00 0.00 101 Q 8.65 4.63 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 102 A 9.10 4.57 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 0.00 103 N 8.77 5.32 0.00 2.58 2.79 0.00 0.00 6.71 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 0.00 104 K 8.77 4.78 0.00 1.76 1.70 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.63 7.81 105 H 8.89 4.74 0.00 3.35 3.25 0.00 5.76 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.57 4.95 1.89 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.82 1.17 0.00 0.00 107 I 8.23 4.88 1.69 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.65 0.81 0.00 0.00 108 V 8.44 4.68 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 0.71 0.00 0.00 0.80 0.00 0.00 109 A 8.57 4.68 1.22 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 0.00 110 C 8.36 5.07 0.00 2.23 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 0.00 0.00 0.00 111 E 8.56 4.55 0.00 1.92 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 2.17 2.25 0.00 112 G 9.60 4.21 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 0.00 113 N 8.11 5.11 0.00 2.66 2.71 0.00 0.00 6.92 7.69 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 0.00 114 P 0.00 4.37 0.00 2.22 2.04 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 115 Y 8.24 4.80 0.00 2.85 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.99 4.43 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 0.62 0.00 0.00 0.87 0.00 0.00 117 P 0.00 4.32 0.00 0.49 1.09 0.00 3.31 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 118 V 8.17 4.44 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 0.63 0.00 0.00 0.96 0.00 0.00 119 H 7.89 4.82 0.00 3.21 3.11 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.83 4.69 0.00 2.61 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.62 4.69 0.00 2.60 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.97 4.91 1.23 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 0.00 0.00 123 S 8.72 5.15 0.00 4.03 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.77 4.11 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 0.94 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.