NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2615 8.4449 121.4704 55.2841 31.2809 175.2953 4 K 3.9894 8.0630 117.8291 55.8808 32.5186 174.5093 5 T 4.7067 8.8472 120.1187 59.9573 71.1568 172.9865 6 C 4.8919 8.4920 118.2952 57.5889 40.9370 173.3182 7 D 4.9654 9.0703 123.5937 52.2493 42.5907 175.7933 8 L 4.5538 8.5357 124.5745 54.5039 42.1526 177.7338 9 V 3.6185 8.5437 124.6190 64.3953 32.4534 175.2261 10 G 4.0553 9.1403 113.3998 44.8457 0.0000 176.8029 *15 E 3.9696 8.9889 117.6837 56.9643 29.9489 173.5949 16 S 3.6120 8.1470 119.9026 59.3041 60.3707 172.2030 17 E 4.1187 8.0825 122.6365 58.0373 29.7029 178.9601 18 K 3.9282 7.9208 120.9970 59.7292 32.4467 178.6064 19 Q 4.0177 7.8709 118.3523 58.6609 28.6089 178.5793 20 L 4.0652 7.7779 119.6887 57.4142 41.5307 179.3236 21 A 3.9995 8.0656 120.9771 55.1324 18.3611 179.5786 22 L 3.9213 7.9443 117.5474 57.9695 41.4264 179.7923 23 L 4.1536 7.7143 117.9752 57.8160 41.8851 179.4335 24 K 4.1037 7.9891 117.9878 59.4358 31.7922 179.4181 25 R 3.9259 8.1148 118.0153 58.6557 30.1680 177.4942 26 L 4.4462 7.5258 116.7999 54.7444 42.0320 178.0673 27 T 2.0000 7.2402 111.5476 63.8535 68.0327 174.2340 28 P 4.1530 0.0000 0.0000 64.6762 31.5108 177.5776 29 L 4.4517 8.0334 117.2188 55.8517 41.7012 178.4633 30 F 4.8162 7.8409 117.1105 60.0396 38.9674 176.6708 31 Q 4.1630 7.9876 116.8479 57.1964 29.0647 176.3219 32 K 4.1003 7.7571 117.4837 55.6417 32.9627 175.8349 33 S 4.4368 7.7159 114.7365 56.3762 64.8350 172.9960 34 F 4.9790 8.3025 124.7106 55.7938 41.8445 173.9631 35 E 5.8682 8.8109 121.7028 55.7124 33.0356 174.0654 36 S 4.8487 9.0182 117.6358 57.8225 66.0860 172.8751 37 T 5.3487 8.8094 123.5888 62.1866 70.4064 174.1366 38 V 4.5663 9.3511 118.4582 60.3472 36.3502 176.2523 39 G 4.3209 9.3203 107.2652 45.6875 0.0000 172.6571 40 Q 4.7097 8.1049 115.9061 53.4982 31.1021 175.2834 41 S 4.2972 8.6058 115.7211 59.2171 63.2544 172.5499 42 P 4.7758 0.0000 0.0000 62.8735 31.3165 175.4345 43 D 4.7591 7.7818 117.6399 54.8048 41.5181 176.6072 44 M 4.5522 7.6683 118.0260 55.4142 33.6973 175.4387 45 Y 5.0100 9.4971 119.5173 56.1751 42.4023 174.4270 46 S 5.1925 9.0969 117.0854 56.8691 65.4895 172.1033 47 Y 5.1168 9.5043 125.6891 56.5796 39.9355 174.6923 48 V 4.9549 8.9441 124.7347 61.0309 34.4438 173.9987 49 F 5.5055 9.0147 129.8641 56.5703 42.4997 173.7833 50 R 4.4127 8.4988 123.2842 54.3001 34.5996 175.3019 51 V 3.8354 8.0707 122.4111 62.4947 31.2014 176.2908 52 C 3.8256 8.7798 125.5987 57.2843 37.9736 173.4283 53 R 3.9689 6.5787 115.3053 54.1707 33.9003 174.6635 54 E 4.5538 8.3048 118.9817 56.5098 30.2528 177.2052 55 A 4.1757 9.1473 128.0533 54.9074 19.6903 177.9691 56 G 4.1102 7.6905 109.9350 45.9225 0.0000 173.7962 57 Q 4.5515 9.5450 118.2561 56.1104 31.0385 175.5787 58 H 5.0135 8.6081 114.6446 55.6002 30.2903 174.3229 59 S 4.5245 7.8192 115.8534 55.8018 63.6656 172.4514 60 S 4.5885 8.3952 118.9132 60.0912 63.2079 175.2819 61 G 3.2788 9.7803 112.3265 45.4593 0.0000 172.8532 62 A 4.2134 7.9208 124.2585 51.7935 19.1335 178.8030 63 G 3.8792 9.1133 110.4103 47.4000 0.0000 173.5919 64 L 5.3368 7.7869 122.3918 53.9228 45.6176 175.0753 65 V 4.9117 9.1231 119.2128 59.5938 36.0723 174.1841 66 Q 4.5351 9.0409 125.4205 54.6443 30.8100 174.1143 67 I 4.8857 8.6994 128.0350 59.3666 40.0256 174.6944 68 Q 4.2267 9.0902 129.5466 55.7532 29.0581 176.8043 69 K 4.2779 8.3211 127.4046 59.2346 32.1173 179.2159 70 S 4.2217 8.1510 114.5906 60.6952 63.0383 174.6170 71 N 4.8202 7.6546 113.2857 51.2490 38.2449 174.9582 72 G 3.8693 8.9399 106.9125 45.4155 0.0000 173.9156 73 K 3.9352 8.5527 122.7454 57.0190 33.0865 175.1669 74 E 5.0579 8.7941 126.7099 55.1770 31.5338 175.3638 75 T 4.6308 8.7533 121.1357 61.4743 71.6207 173.5724 76 V 3.8972 8.9277 128.0087 63.0795 31.9232 176.5799 77 V 3.7466 8.5999 128.4281 64.7455 32.6398 176.1405 78 G 4.3960 7.7859 104.6282 45.2097 0.0000 172.2619 79 R 4.9780 8.7336 121.7134 53.6898 32.8830 176.6945 80 F 4.2238 7.9981 117.1734 56.7887 38.5863 176.0997 81 N 4.7412 7.5581 115.4951 53.3158 38.3391 175.0380 82 E 4.7632 7.8891 117.7625 55.2970 29.3004 174.3651 83 T 5.4140 8.8780 118.7773 62.3227 71.8525 175.1376 84 Q 4.7072 8.9603 122.3976 54.4718 33.5447 173.9726 85 I 5.0121 7.7143 121.8566 59.6982 41.4287 174.0593 86 F 5.0343 9.4158 126.7006 55.7444 43.5535 173.2708 87 Q 4.6212 8.8893 122.6473 54.4637 31.1754 175.0000 88 G 2.5584 7.1687 116.5044 42.9725 0.0000 172.7635 89 S 4.0751 7.8758 115.1856 57.9577 62.7232 173.2895 90 N 4.6019 8.4621 124.9214 51.9573 34.1594 174.4854 91 W 4.9492 6.3189 121.8389 57.3358 30.5448 174.9739 92 I 5.1169 8.8031 123.9612 59.8508 40.2068 173.8568 93 M 5.0749 9.9163 127.3688 53.8767 34.4331 174.0482 94 L 5.1262 8.8909 128.2958 53.3132 45.0643 174.8811 95 I 5.1096 8.9283 126.7187 59.7153 40.9049 173.9525 96 Y 5.5705 9.2894 124.0594 56.5676 41.1559 175.2452 97 K 4.5819 8.9194 124.3417 54.7313 36.1389 176.3628 98 G 3.9429 8.7629 107.1146 47.2056 0.0000 174.1905 99 G 3.9753 7.9109 107.7793 44.6084 0.0000 173.9173 100 D 4.7030 8.6967 120.5154 54.0810 41.5666 176.7302 101 E 4.3948 8.7080 121.4254 56.1946 30.8076 176.3800 102 Y 4.2278 8.7672 119.4286 58.8553 38.7524 177.1427 103 D 4.5496 8.9854 121.6297 56.5980 41.6328 177.6097 104 N 5.1066 8.0662 113.2216 52.9241 40.4559 173.3697 105 H 4.7914 7.9359 113.7835 54.8061 33.2842 173.3996 106 C 4.3530 9.4440 114.5689 58.0015 37.7168 173.7319 107 G 4.0158 8.7109 102.3952 47.0404 0.0000 175.0800 108 R 4.8128 8.2721 113.6664 55.9525 28.7463 176.3978 109 E 4.2918 8.0572 119.8532 55.9743 30.7945 176.2520 110 Q 4.4491 8.8492 125.4981 56.3618 29.4363 176.9022 111 R 4.3541 8.4105 122.5489 56.6592 31.7695 175.8444 112 R 5.3019 8.7799 118.0434 54.6594 35.2895 173.7932 113 A 5.4662 9.7277 123.8213 50.3026 22.0056 175.2280 114 V 4.7419 9.2766 123.2646 61.0619 34.3015 174.4440 115 V 4.7145 9.0268 128.1303 61.4009 34.3161 174.2603 116 M 4.5486 9.1229 129.4129 54.4360 33.0932 175.8714 117 I 4.6791 8.8674 127.3486 60.2651 38.3727 175.6167 118 S 4.9628 9.0606 124.7057 57.3115 64.6786 173.3716 119 C 4.7972 8.7989 123.8347 57.0785 41.4496 172.7953 120 N 4.8344 8.6224 124.6314 52.4718 40.6670 174.6784 121 R 4.1548 8.8477 124.5030 57.8800 30.2208 177.1774 122 H 4.8857 8.2970 114.5462 55.2319 29.5008 173.8645 123 T 4.4685 7.5026 112.6211 61.0158 70.5509 174.3179 124 L 3.9728 9.0536 129.6375 57.2473 42.5599 176.9708 125 A 4.5995 7.1009 116.8945 51.5457 22.6832 174.7246 126 D 4.4784 8.8673 121.3171 54.6529 45.6269 174.9554 127 N 4.3956 8.2579 115.1026 54.1958 35.9125 174.0953 128 F 5.1184 8.2886 119.0318 57.9658 40.9234 174.6077 129 N 4.2830 7.6106 120.5382 51.2842 40.6314 172.1562 130 P 4.2075 0.0000 0.0000 62.9384 31.9701 175.9146 131 V 3.9361 8.1668 121.4155 64.1774 32.8459 176.4455 132 S 4.2899 6.8771 110.7493 57.2014 65.0357 173.3270 133 E 3.9191 8.2211 122.4518 54.6155 30.6369 176.2549 *141 C 4.5820 8.4345 121.1960 57.3396 41.5418 172.4467 142 F 5.0884 7.6053 111.7933 57.0460 39.6403 172.9626 143 Y 4.3375 8.8692 118.8020 56.7943 39.5446 174.2139 144 L 5.0543 8.0668 127.1643 53.6056 44.1030 175.2808 145 F 5.1458 9.5829 124.3404 55.7352 43.7122 173.3320 146 E 5.2367 8.5831 116.7639 55.8932 33.3802 173.7007 147 M 5.3250 8.5555 116.3578 56.0253 35.3330 172.7984 148 D 5.5380 8.6876 119.2196 52.9350 44.2412 175.7991 149 S 5.1513 8.7205 113.7912 57.6661 66.0590 176.5337 150 S 4.3815 8.9879 121.8335 60.6316 63.1323 176.3550 151 L 4.0453 7.7231 120.2220 57.1403 41.5294 177.5385 152 A 4.4556 7.9337 120.3761 52.1717 19.0808 175.8577 153 C 4.9020 7.9279 114.7831 55.9454 41.6526 174.1135 154 S 4.1763 8.2445 116.4501 58.6395 62.7427 173.7489 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 3 E 8.44 4.26 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 4 K 8.06 3.99 0.00 1.98 2.00 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.46 7.81 5 T 8.85 4.71 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 1.23 0.00 0.00 6 C 8.49 4.89 0.00 2.92 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 7 D 9.07 4.97 0.00 2.60 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 8 L 8.54 4.55 0.00 1.65 1.61 0.99 1.04 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 9 V 8.54 3.62 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 1.04 0.00 0.00 10 G 9.14 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 *15 E 8.99 3.97 0.00 2.12 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 2.18 2.31 0.00 16 S 8.15 3.61 0.00 4.01 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 17 E 8.08 4.12 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 18 K 7.92 3.93 0.00 1.84 1.83 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.52 7.81 19 Q 7.87 4.02 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 20 L 7.78 4.07 0.00 1.85 1.72 0.99 1.15 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 21 A 8.07 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.94 3.92 0.00 1.87 1.74 0.88 0.67 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 23 L 7.71 4.15 0.00 1.96 1.87 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.99 4.10 0.00 1.97 1.83 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.68 7.81 25 R 8.11 3.93 0.00 1.87 2.16 0.00 3.23 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 26 L 7.53 4.45 0.00 2.12 1.85 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.24 2.00 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 0.94 0.00 0.00 28 P 0.00 4.15 0.00 1.99 2.11 0.00 3.59 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.07 0.00 29 L 8.03 4.45 0.00 1.93 1.99 1.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.84 4.82 0.00 2.93 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 31 Q 7.99 4.16 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.04 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 32 K 7.76 4.10 0.00 1.58 1.13 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.33 7.81 33 S 7.72 4.44 0.00 3.64 3.49 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 34 F 8.30 4.98 0.00 2.82 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 35 E 8.81 5.87 0.00 1.99 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 2.47 2.17 0.00 36 S 9.02 4.85 0.00 4.41 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 0.00 37 T 8.81 5.35 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 1.35 0.00 0.00 38 V 9.35 4.57 2.22 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 0.94 0.00 0.00 1.33 0.00 0.00 39 G 9.32 4.32 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 0.00 40 Q 8.10 4.71 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 41 S 8.61 4.30 0.00 3.87 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 42 P 0.00 4.78 0.00 2.13 2.09 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 43 D 7.78 4.76 0.00 2.66 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 44 M 7.67 4.55 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.78 0.00 45 Y 9.50 5.01 0.00 2.96 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 46 S 9.10 5.19 0.00 3.89 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 47 Y 9.50 5.12 0.00 3.43 3.25 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 48 V 8.94 4.95 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 1.03 0.00 0.00 0.98 0.00 0.00 49 F 9.01 5.51 0.00 2.65 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 0.00 0.00 0.00 50 R 8.50 4.41 0.00 1.57 1.50 0.00 3.07 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.42 0.00 51 V 8.07 3.84 2.25 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 1.27 0.00 0.00 0.87 0.00 0.00 52 C 8.78 3.83 0.00 1.59 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 53 R 6.58 3.97 0.00 1.43 1.52 0.00 3.23 0.00 0.00 2.95 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.63 0.00 54 E 8.30 4.55 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.51 0.00 55 A 9.15 4.18 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.69 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 9.55 4.55 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 7.38 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 58 H 8.61 5.01 0.00 3.10 3.23 0.00 5.60 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.82 4.52 0.00 3.81 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 60 S 8.40 4.59 0.00 3.81 3.78 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 61 G 9.78 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 0.00 0.00 0.00 62 A 7.92 4.21 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 63 G 9.11 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 64 L 7.79 5.34 0.00 2.07 1.62 0.03 0.95 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 65 V 9.12 4.91 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 0.66 0.00 0.00 0.99 0.00 0.00 66 Q 9.04 4.54 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.07 1.51 0.00 67 I 8.70 4.89 1.89 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 1.13 0.66 0.95 0.00 0.00 68 Q 9.09 4.23 0.00 2.35 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.80 0.00 0.00 0.00 0.00 0.00 2.18 2.44 0.00 69 K 8.32 4.28 0.00 1.59 1.83 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.43 7.81 70 S 8.15 4.22 0.00 3.93 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 0.00 71 N 7.65 4.82 0.00 2.76 2.86 0.00 0.00 6.05 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 72 G 8.94 3.87 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 73 K 8.55 3.94 0.00 1.91 1.77 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.45 7.81 74 E 8.79 5.06 0.00 1.90 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 2.53 0.00 75 T 8.75 4.63 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 1.13 0.00 0.00 76 V 8.93 3.90 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.90 0.00 0.00 77 V 8.60 3.75 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.71 0.00 0.00 78 G 7.79 4.40 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 0.00 79 R 8.73 4.98 0.00 1.70 1.61 0.00 3.08 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 80 F 8.00 4.22 0.00 2.88 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 81 N 7.56 4.74 0.00 2.88 2.57 0.00 0.00 5.91 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 82 E 7.89 4.76 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 83 T 8.88 5.41 4.47 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 1.38 0.00 0.00 84 Q 8.96 4.71 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 85 I 7.71 5.01 1.82 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 1.21 0.93 0.82 0.00 0.00 86 F 9.42 5.03 0.00 3.26 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 87 Q 8.89 4.62 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 1.96 2.25 0.00 88 G 7.17 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 0.00 0.00 0.00 89 S 7.88 4.08 0.00 3.91 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 90 N 8.46 4.60 0.00 3.07 3.08 0.00 0.00 6.31 8.88 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 91 W 6.32 4.95 0.00 3.47 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.80 5.12 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 1.12 0.84 1.05 0.00 0.00 93 M 9.92 5.07 0.00 2.49 2.11 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 94 L 8.89 5.13 0.00 1.78 1.35 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.93 5.11 1.99 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 1.29 1.05 1.05 0.00 0.00 96 Y 9.29 5.57 0.00 2.92 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.92 4.58 0.00 1.76 1.79 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.46 7.81 98 G 8.76 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 99 G 7.91 3.98 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 0.00 0.00 0.00 100 D 8.70 4.70 0.00 2.50 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 0.00 101 E 8.71 4.39 0.00 2.28 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 0.00 2.29 2.32 0.00 102 Y 8.77 4.23 0.00 3.12 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 0.00 103 D 8.99 4.55 0.00 2.75 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 0.00 104 N 8.07 5.11 0.00 2.60 2.65 0.00 0.00 6.65 8.16 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 0.00 105 H 7.94 4.79 0.00 3.03 2.77 0.00 5.96 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 0.00 106 C 9.44 4.35 0.00 2.47 3.03 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 0.00 107 G 8.71 4.02 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 0.00 0.00 0.00 108 R 8.27 4.81 0.00 2.03 2.11 0.00 3.25 0.00 0.00 3.04 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 109 E 8.06 4.29 0.00 2.22 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 0.00 2.55 2.43 0.00 110 Q 8.85 4.45 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 111 R 8.41 4.35 0.00 1.60 1.83 0.00 3.00 0.00 0.00 2.70 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.23 0.00 112 R 8.78 5.30 0.00 1.93 1.90 0.00 3.19 0.00 0.00 3.43 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 113 A 9.73 5.47 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 9.28 4.74 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 0.88 0.00 0.00 0.82 0.00 0.00 115 V 9.03 4.71 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 0.74 0.00 0.00 0.36 0.00 0.00 116 M 9.12 4.55 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 117 I 8.87 4.68 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.61 0.96 0.00 0.00 118 S 9.06 4.96 0.00 3.95 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 0.00 119 C 8.80 4.80 0.00 3.13 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 0.00 120 N 8.62 4.83 0.00 2.80 2.68 0.00 0.00 7.23 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 0.00 121 R 8.85 4.15 0.00 1.71 1.85 0.00 3.20 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 122 H 8.30 4.89 0.00 3.30 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.50 4.47 4.31 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 1.34 0.00 0.00 124 L 9.05 3.97 0.00 1.66 1.73 0.93 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 0.00 125 A 7.10 4.60 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.87 4.48 0.00 2.79 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 0.00 127 N 8.26 4.40 0.00 3.00 2.89 0.00 0.00 6.45 8.13 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 0.00 128 F 8.29 5.12 0.00 3.13 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 0.00 129 N 7.61 4.28 0.00 2.68 2.79 0.00 0.00 6.53 7.92 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 0.00 130 P 0.00 4.21 0.00 1.68 1.38 0.00 3.67 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 1.84 1.83 0.00 131 V 8.17 3.94 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 0.69 0.00 0.00 0.78 0.00 0.00 132 S 6.88 4.29 0.00 3.73 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 0.00 133 E 8.22 3.92 0.00 1.72 1.56 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 2.34 2.25 0.00 *141 C 8.43 4.58 0.00 2.97 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 0.00 142 F 7.61 5.09 0.00 3.08 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 0.00 143 Y 8.87 4.34 0.00 3.29 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 0.00 144 L 8.07 5.05 0.00 1.80 1.29 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 145 F 9.58 5.15 0.00 2.78 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.58 5.24 0.00 1.95 1.91 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 2.20 2.17 0.00 147 M 8.56 5.32 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 148 D 8.69 5.54 0.00 2.75 2.63 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 0.00 149 S 8.72 5.15 0.00 3.89 3.68 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 0.00 0.00 0.00 150 S 8.99 4.38 0.00 4.06 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 0.00 151 L 7.72 4.05 0.00 1.72 1.79 0.93 0.59 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 0.00 152 A 7.93 4.46 1.43 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 0.00 0.00 153 C 7.93 4.90 0.00 3.11 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 0.00 154 S 8.24 4.18 0.00 3.86 3.69 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 * Residues marked with a * may have inaccurate shift predictions.