NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 I 4.0937 7.8827 114.2654 60.4706 39.7790 177.0659 8 D 4.1857 8.0069 120.7311 56.8335 40.6736 176.3139 9 D 4.3590 8.7649 119.9403 57.4025 41.6049 177.7952 10 I 3.9165 7.5492 119.8054 64.3653 37.0336 178.3214 11 L 4.0260 7.8016 119.4268 57.7223 41.2328 178.9223 12 Q 4.2653 7.6590 115.5576 57.0854 28.8718 176.9534 13 L 4.2384 7.6677 119.7461 56.0186 42.1549 177.6617 14 K 4.1497 7.4848 119.5479 56.4371 32.5155 177.0572 15 D 4.7512 8.7231 123.8344 52.3546 41.1580 176.3645 16 D 4.4239 8.6434 117.7236 55.7496 39.3489 176.6881 17 T 4.2008 8.3573 109.3681 61.2381 69.3250 175.4126 18 G 3.8144 8.4485 110.5749 45.5658 0.0000 173.1990 19 V 4.6360 7.7377 118.5047 60.8235 34.9430 174.1241 20 I 4.7309 8.6880 127.8571 60.0606 39.1424 174.8790 21 T 4.8105 8.6327 124.3667 63.0050 69.2057 174.6442 22 V 4.3829 9.0009 128.3839 62.8803 32.4635 175.3239 23 T 4.7553 9.5913 117.0252 58.9133 71.8231 174.6692 24 A 4.0481 8.6911 123.4621 55.5445 18.2817 179.1167 25 D 4.4455 8.0890 115.3675 56.7397 41.7423 177.1304 26 N 4.6757 8.2766 115.8677 53.5161 37.8453 176.3393 27 Y 4.0579 7.9813 123.0685 60.5755 38.6587 176.0469 28 P 3.6322 0.0000 0.0000 65.2526 31.6535 178.1248 29 L 3.9022 7.5138 118.3574 58.2004 42.2488 178.8199 30 L 3.8213 7.7625 119.3175 57.5167 41.5472 179.2776 31 S 2.0000 7.1885 113.0677 59.0942 62.6186 175.4386 32 R 4.4974 7.0969 120.7689 55.5008 30.4610 177.0527 33 G 3.6803 7.8346 108.4777 44.5190 0.0000 172.8919 34 V 4.2474 7.5795 116.4583 59.9083 33.9907 172.9379 35 P 4.2417 0.0000 0.0000 64.5529 31.4459 176.7180 36 G 3.9378 9.0056 111.5002 45.2029 0.0000 172.3498 37 Y 4.8539 7.7689 117.5000 56.2887 39.5765 175.9875 38 F 4.5479 9.4645 122.9187 57.7509 40.8043 174.1820 39 N 5.7774 9.8205 119.8989 51.9986 41.5827 173.6490 40 I 4.9118 9.1644 126.6225 59.6705 39.2786 174.6667 41 L 5.2411 9.1398 130.6371 53.3879 44.7572 174.2611 42 Y 5.0699 8.9967 128.3868 56.3175 40.5284 174.0430 43 I 4.5953 8.5912 128.5825 60.0629 39.3966 174.8715 44 T 4.6952 8.4926 121.5034 61.1369 71.6759 171.9379 45 M 4.9669 8.2220 122.1866 54.9570 33.4724 174.6026 46 R 4.3091 9.5535 127.3832 58.1499 31.6095 178.4422 47 G 4.0198 7.8005 111.8479 45.7469 0.0000 172.5158 48 T 4.7281 8.2136 112.8388 59.7541 71.4030 175.0531 49 N 4.7541 8.4902 120.6099 52.2404 39.4982 175.6622 50 S 4.1362 8.6358 112.8486 61.6158 62.9435 174.8000 51 N 4.6508 8.3484 115.5863 52.5786 38.4886 175.3541 52 G 3.9006 8.1314 105.8692 46.3549 0.0000 173.5626 53 M 4.5332 8.5133 119.7897 53.3834 33.6638 175.7561 54 S 4.7989 8.2975 116.5044 57.2131 65.4165 175.3865 55 C 4.5683 8.2664 121.6458 55.2801 43.5767 173.8217 56 Q 3.9162 8.3782 129.4513 58.8829 28.7937 177.3436 57 L 3.9899 7.9291 120.9233 58.2880 42.2139 179.3498 58 C 4.7973 8.2058 117.2972 59.8501 40.0003 175.4924 59 H 4.1704 8.0246 118.0979 59.3853 29.2514 176.7701 60 D 4.5079 8.4855 120.9148 57.5166 40.7660 178.6484 61 F 4.4451 8.5629 122.4525 60.3168 39.3188 176.6914 62 E 3.7892 8.2262 119.2457 59.0433 29.2953 179.0113 63 K 3.9389 7.6461 117.6894 59.6313 32.0671 179.3595 64 T 3.6798 7.5053 115.4785 66.5801 68.2681 175.6114 65 Y 3.9014 7.2794 121.5651 61.1870 38.6395 178.1761 66 H 3.8172 8.1070 116.6601 58.4942 28.8604 177.6651 67 A 3.8823 8.0523 122.7902 55.2171 18.1987 179.9283 68 V 3.5107 7.8621 116.4950 65.7969 31.5599 178.0025 69 A 3.0955 7.7664 120.7015 54.9680 18.0108 179.3052 70 D 4.1150 7.9864 117.4094 57.3862 40.8320 179.2312 71 V 3.4983 7.4777 118.1533 66.1066 31.5364 178.1985 72 I 3.6794 7.7380 119.5775 64.3149 36.6932 178.4072 73 R 3.8431 7.7852 118.7566 59.2316 29.9048 178.3925 74 S 4.1759 7.7421 112.0875 61.4197 62.6716 175.6554 75 Q 4.2868 8.2659 118.0367 56.2577 30.3445 175.8194 76 A 4.7430 7.9917 122.6519 49.9215 18.8355 175.1034 77 P 4.3270 0.0000 0.0000 64.9884 32.1171 178.6084 78 Q 4.1427 7.9067 116.0499 56.9951 29.1617 176.1133 79 S 4.1054 7.7243 113.8110 58.6307 62.9101 174.7625 80 L 4.1791 8.2123 128.9194 53.3642 39.9694 174.9516 81 N 5.8242 8.2460 117.7982 50.9735 41.3737 174.3560 82 L 4.9588 9.0190 119.2926 53.1849 46.0301 175.3465 83 F 5.2856 8.8379 121.5491 56.0201 41.3700 174.7933 84 F 5.7258 9.9421 121.3865 56.2429 43.3877 174.0941 85 T 5.4920 9.3806 117.2382 61.9894 72.9184 173.4036 86 V 4.7758 8.9782 124.4738 59.9989 35.1125 173.6350 87 D 5.1775 8.5493 123.2766 52.7069 42.3031 177.6290 88 V 3.5924 8.6135 120.0013 64.0706 31.7036 176.9939 89 N 4.6034 8.5350 115.8102 54.2131 38.7669 175.4610 90 E 4.4978 8.1631 117.0728 56.5946 31.5970 176.4028 91 V 4.3463 7.1887 118.0765 59.1257 31.5093 173.4544 92 P 4.2426 0.0000 0.0000 65.4277 31.2996 178.3188 93 Q 3.8972 7.9154 118.8972 58.8151 28.9259 177.8385 94 L 3.4356 7.2305 120.9862 57.6770 42.1571 178.7542 95 V 3.4832 7.4212 117.7887 65.8154 31.5212 177.9478 96 K 3.8899 8.1691 119.2872 59.7402 31.9106 178.4405 97 D 4.4435 8.1237 117.9403 57.0289 40.8696 177.9716 98 L 4.4133 7.9796 116.2076 53.2724 42.3454 176.4913 99 K 3.8411 7.7853 117.2237 57.1737 30.2463 175.6949 100 L 4.1753 7.7920 117.5100 55.0295 42.1714 177.6508 101 Q 4.5507 8.3709 119.2466 55.4053 30.8574 174.3417 102 N 4.8033 7.6524 113.1326 52.3079 39.8034 173.5111 103 V 4.3971 7.7893 110.7222 59.1346 35.6116 173.2127 104 P 4.8057 0.0000 0.0000 62.2329 33.4824 174.3531 105 H 4.9224 8.8754 116.0474 53.8719 33.4627 172.5981 106 L 5.2866 8.5295 122.6089 53.6244 44.7138 175.4178 107 V 5.1167 8.8116 119.3369 59.5233 35.8671 175.0273 108 V 4.9120 9.1150 122.7650 61.5771 34.5525 173.7793 109 Y 5.1168 9.2993 127.1636 56.1457 39.2491 173.9998 110 P 4.5721 0.0000 0.0000 61.5179 32.5790 174.3868 111 P 4.2805 0.0000 0.0000 62.4037 31.8439 176.2288 112 A 4.2842 8.1996 124.2492 51.9388 19.2542 177.5222 113 E 4.1541 8.5537 119.5440 56.2793 30.4227 178.4733 114 S 4.1245 8.9173 118.5619 61.9588 62.9462 176.3201 115 N 4.6173 8.0912 114.2568 54.1316 37.7477 175.3652 116 K 4.6032 8.3032 118.7899 56.2187 33.4198 177.5446 117 Q 4.0191 8.0787 123.6656 59.4653 29.0022 178.9983 118 S 4.1067 8.2335 112.4493 61.4993 62.8456 175.1018 119 Q 4.2860 7.7885 115.0125 56.0438 28.8828 175.6895 120 F 4.1731 8.0353 122.2619 57.8549 40.0107 174.1689 121 E 4.5981 7.5439 125.4908 54.5335 33.2711 175.9912 122 W 3.4362 8.2697 123.3413 59.5508 29.2250 178.6115 123 K 4.2326 7.9698 115.7260 58.6684 32.3880 177.2858 124 T 4.5957 7.0711 107.4514 60.9743 70.1813 174.2434 125 S 4.5434 8.0329 119.6224 56.8595 63.8650 172.1004 126 P 4.3897 0.0000 0.0000 63.0946 31.7137 175.6041 127 F 5.0384 7.3690 114.5676 55.6547 41.1178 173.2418 128 Y 4.6174 9.0295 118.4572 57.5339 39.4813 174.2442 129 Q 5.2590 8.9370 123.8018 54.5956 31.8680 173.9878 130 Y 4.0831 8.7174 128.2741 55.5937 39.2910 175.2124 131 S 3.9737 8.1708 122.1490 58.1945 63.0634 173.0886 132 L 4.5859 8.0859 126.9427 52.9619 43.6306 176.1245 133 V 4.5184 8.4843 115.4988 58.7772 36.0045 174.4225 134 P 4.2675 0.0000 0.0000 65.8588 31.2786 178.7276 135 E 3.9625 8.2224 117.7932 58.1725 29.9442 176.7262 136 N 4.9473 8.1713 114.1884 52.1856 37.8489 176.0345 137 A 4.2202 7.9870 124.5471 55.1236 18.5164 179.3626 138 E 4.9029 8.1068 111.7270 55.2936 30.5851 176.8072 139 N 4.7505 7.9846 120.5961 52.7623 37.8069 175.1988 140 T 4.0954 8.1746 118.0089 63.9289 69.2448 176.2913 141 L 3.9510 7.9972 122.8879 58.1985 42.2451 178.6214 142 Q 4.0751 8.8415 119.8143 59.2016 29.0383 177.8979 143 F 4.1395 8.4595 121.5420 61.1125 39.3407 177.2863 144 G 3.5198 8.4907 105.8161 47.8620 0.0000 175.1342 145 D 4.3002 8.3578 120.5224 56.8126 41.3499 178.0540 146 F 4.1482 8.2451 121.2064 61.5085 39.4718 177.2289 147 L 3.5175 7.6692 118.2841 57.3867 41.3195 179.3423 148 A 3.8934 8.1212 121.2024 54.9541 18.0318 179.8897 149 K 3.8141 7.8372 116.9751 59.6068 31.8946 179.7566 150 I 3.4362 6.8285 118.4439 63.9202 37.0724 177.8193 151 L 3.4938 7.7143 117.0275 53.6559 42.6338 175.9008 152 N 4.0323 7.4625 115.6441 54.7100 37.4694 172.2354 153 I 4.6303 7.6960 109.6607 59.1161 41.3062 175.0139 154 S 4.6731 8.4784 116.4163 56.6221 64.6799 173.8925 155 I 4.7572 8.1132 117.6129 59.1796 40.4717 175.0303 156 T 4.3907 9.0219 118.2481 61.7912 70.0391 173.9564 157 V 4.0188 8.1925 126.8008 60.6226 32.5278 173.9973 158 P 4.2889 0.0000 0.0000 63.2464 31.6965 175.5547 159 Q 4.7488 8.3091 120.5552 53.7262 31.7832 175.7103 160 A 4.0602 8.7658 123.9550 54.6285 18.7127 177.8333 161 F 4.6775 8.1159 117.8139 56.7910 40.3673 175.1509 162 N 4.4057 7.8744 124.3720 53.3960 39.2660 174.1760 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 7 I 7.88 4.09 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.48 0.88 0.00 0.00 8 D 8.01 4.19 0.00 2.89 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 9 D 8.76 4.36 0.00 2.67 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 10 I 7.55 3.92 1.96 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 1.66 0.53 0.99 0.00 0.00 11 L 7.80 4.03 0.00 1.71 1.71 0.92 0.47 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 12 Q 7.66 4.27 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 13 L 7.67 4.24 0.00 1.83 1.79 1.01 0.99 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 14 K 7.48 4.15 0.00 1.72 1.75 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.52 7.81 15 D 8.72 4.75 0.00 2.93 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 16 D 8.64 4.42 0.00 2.79 2.84 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 0.00 0.00 0.00 17 T 8.36 4.20 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 1.15 0.00 0.00 18 G 8.45 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 19 V 7.74 4.64 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 1.31 0.00 0.00 0.78 0.00 0.00 20 I 8.69 4.73 1.70 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.38 1.19 0.00 0.00 21 T 8.63 4.81 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 1.32 0.00 0.00 22 V 9.00 4.38 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.42 0.00 0.00 23 T 9.59 4.76 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 24 A 8.69 4.05 1.35 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 25 D 8.09 4.45 0.00 2.69 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 26 N 8.28 4.68 0.00 3.08 3.08 0.00 0.00 6.58 7.01 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 27 Y 7.98 4.06 0.00 3.16 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 28 P 0.00 3.63 0.00 1.92 1.94 0.00 3.80 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 1.99 2.10 0.00 29 L 7.51 3.90 0.00 1.65 1.70 0.84 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.76 3.82 0.00 1.25 1.25 1.28 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.19 2.00 0.00 3.22 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 32 R 7.10 4.50 0.00 1.80 1.93 0.00 3.09 0.00 0.00 3.14 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 33 G 7.83 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 0.00 0.00 0.00 34 V 7.58 4.25 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 0.79 0.00 0.00 0.84 0.00 0.00 35 P 0.00 4.24 0.00 2.11 2.00 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 36 G 9.01 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 0.00 0.00 0.00 37 Y 7.77 4.85 0.00 3.00 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 38 F 9.46 4.55 0.00 3.07 3.07 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 0.00 0.00 0.00 0.00 39 N 9.82 5.78 0.00 3.12 3.11 0.00 0.00 6.93 7.02 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 40 I 9.16 4.91 1.26 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 1.11 0.00 0.00 41 L 9.14 5.24 0.00 1.35 1.30 0.84 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 9.00 5.07 0.00 2.01 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 4.60 1.76 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 1.00 0.42 0.81 0.00 0.00 44 T 8.49 4.70 3.09 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 1.11 0.00 0.00 45 M 8.22 4.97 0.00 1.98 1.86 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 2.46 2.56 0.00 46 R 9.55 4.31 0.00 1.83 2.01 0.00 3.27 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 47 G 7.80 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 48 T 8.21 4.73 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 49 N 8.49 4.75 0.00 2.95 3.02 0.00 0.00 7.17 8.20 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 50 S 8.64 4.14 0.00 3.88 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 51 N 8.35 4.65 0.00 2.82 2.82 0.00 0.00 6.94 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 52 G 8.13 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 0.00 0.00 0.00 53 M 8.51 4.53 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.76 0.00 54 S 8.30 4.80 0.00 3.97 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 C 8.27 4.57 0.00 3.00 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 56 Q 8.38 3.92 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 57 L 7.93 3.99 0.00 1.81 1.66 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 58 C 8.21 4.80 0.00 3.26 3.19 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 0.00 59 H 8.02 4.17 0.00 3.22 3.55 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.49 4.51 0.00 2.81 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 61 F 8.56 4.45 0.00 3.09 3.06 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 62 E 8.23 3.79 0.00 2.50 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 0.00 2.49 2.56 0.00 63 K 7.65 3.94 0.00 1.91 1.78 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.53 7.81 64 T 7.51 3.68 3.48 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 65 Y 7.28 3.90 0.00 1.95 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 66 H 8.11 3.82 0.00 3.14 3.21 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.05 3.88 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 68 V 7.86 3.51 2.27 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 0.86 0.00 0.00 1.09 0.00 0.00 69 A 7.77 3.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.99 4.12 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 71 V 7.48 3.50 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 0.93 0.00 0.00 72 I 7.74 3.68 1.79 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 1.35 0.52 0.96 0.00 0.00 73 R 7.79 3.84 0.00 1.66 1.99 0.00 3.21 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 74 S 7.74 4.18 0.00 3.88 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 75 Q 8.27 4.29 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.07 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 76 A 7.99 4.74 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 77 P 0.00 4.33 0.00 2.19 2.19 0.00 3.83 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 78 Q 7.91 4.14 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 79 S 7.72 4.11 0.00 3.80 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 80 L 8.21 4.18 0.00 1.43 0.52 0.73 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 81 N 8.25 5.82 0.00 2.67 2.77 0.00 0.00 6.12 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 9.02 4.96 0.00 1.84 1.20 0.94 0.87 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 83 F 8.84 5.29 0.00 2.87 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 84 F 9.94 5.73 0.00 3.00 3.13 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 0.00 85 T 9.38 5.49 4.48 0.00 0.00 0.00 0.00 0.00 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 86 V 8.98 4.78 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 0.73 0.00 0.00 0.94 0.00 0.00 87 D 8.55 5.18 0.00 2.76 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 88 V 8.61 3.59 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 0.66 0.00 0.00 0.95 0.00 0.00 89 N 8.54 4.60 0.00 2.84 2.85 0.00 0.00 6.87 8.28 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 90 E 8.16 4.50 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 91 V 7.19 4.35 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 0.84 0.00 0.00 0.94 0.00 0.00 92 P 0.00 4.24 0.00 2.27 2.27 0.00 3.81 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 2.05 2.01 0.00 93 Q 7.92 3.90 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.96 0.00 0.00 0.00 0.00 0.00 2.82 2.50 0.00 94 L 7.23 3.44 0.00 0.55 1.42 1.09 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.42 3.48 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 0.90 0.00 0.00 0.91 0.00 0.00 96 K 8.17 3.89 0.00 1.91 1.93 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 97 D 8.12 4.44 0.00 2.82 2.84 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 0.00 0.00 0.00 98 L 7.98 4.41 0.00 1.70 1.63 1.10 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.79 3.84 0.00 1.91 1.86 0.00 1.72 0.00 0.00 1.93 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.55 7.81 100 L 7.79 4.18 0.00 1.61 1.56 0.85 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.37 4.55 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 102 N 7.65 4.80 0.00 2.74 2.75 0.00 0.00 5.84 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 0.00 103 V 7.79 4.40 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 0.71 0.00 0.00 0.88 0.00 0.00 104 P 0.00 4.81 0.00 2.06 1.96 0.00 3.61 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.02 0.00 105 H 8.88 4.92 0.00 2.94 3.20 0.00 5.55 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.53 5.29 0.00 1.61 1.54 1.38 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.81 5.12 1.61 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 0.46 0.00 0.00 0.53 0.00 0.00 108 V 9.12 4.91 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 1.19 0.00 0.00 109 Y 9.30 5.12 0.00 3.24 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 0.00 110 P 0.00 4.57 0.00 2.02 2.27 0.00 4.19 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 111 P 0.00 4.28 0.00 1.92 1.99 0.00 2.99 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 112 A 8.20 4.28 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 0.00 113 E 8.55 4.15 0.00 2.10 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 2.41 2.40 0.00 114 S 8.92 4.12 0.00 3.88 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 0.00 115 N 8.09 4.62 0.00 2.84 2.94 0.00 0.00 5.80 7.13 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 0.00 116 K 8.30 4.60 0.00 1.80 1.83 0.00 1.89 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.34 7.81 117 Q 8.08 4.02 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 118 S 8.23 4.11 0.00 3.91 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 0.00 119 Q 7.79 4.29 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 120 F 8.04 4.17 0.00 3.03 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 0.00 121 E 7.54 4.60 0.00 1.84 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 2.12 2.21 0.00 122 W 8.27 3.44 0.00 3.22 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 0.00 123 K 7.97 4.23 0.00 2.05 2.03 0.00 1.54 0.00 0.00 1.94 0.00 0.00 3.32 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.42 7.81 124 T 7.07 4.60 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 1.20 0.00 0.00 125 S 8.03 4.54 0.00 3.63 3.84 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 0.00 0.00 0.00 126 P 0.00 4.39 0.00 1.98 1.88 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 127 F 7.37 5.04 0.00 2.66 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 9.03 4.62 0.00 3.14 3.17 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 0.00 129 Q 8.94 5.26 0.00 2.36 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.64 0.00 130 Y 8.72 4.08 0.00 2.07 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 0.00 131 S 8.17 3.97 0.00 3.70 3.46 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 0.00 0.00 0.00 0.00 132 L 8.09 4.59 0.00 1.42 1.30 0.61 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.48 4.52 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 0.66 0.00 0.00 0.87 0.00 0.00 134 P 0.00 4.27 0.00 2.16 2.12 0.00 3.56 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 2.10 2.08 0.00 135 E 8.22 3.96 0.00 1.91 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 0.00 2.28 2.29 0.00 136 N 8.17 4.95 0.00 3.05 2.96 0.00 0.00 6.70 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 0.00 137 A 7.99 4.22 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.11 4.90 0.00 1.97 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 0.00 2.23 2.25 0.00 139 N 7.98 4.75 0.00 2.87 2.88 0.00 0.00 6.98 7.20 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 0.00 140 T 8.17 4.10 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 1.22 0.00 0.00 141 L 8.00 3.95 0.00 1.84 1.95 0.96 0.82 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 0.00 142 Q 8.84 4.08 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.70 2.53 0.00 143 F 8.46 4.14 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 0.00 144 G 8.49 3.52 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 0.00 145 D 8.36 4.30 0.00 2.94 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 0.00 146 F 8.25 4.15 0.00 3.29 3.07 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 0.00 0.00 0.00 0.00 147 L 7.67 3.52 0.00 1.42 1.43 0.72 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.12 3.89 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 0.00 149 K 7.84 3.81 0.00 1.78 1.72 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.40 1.56 7.81 150 I 6.83 3.44 1.24 0.00 0.00 -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 0.23 -0.32 0.54 0.00 0.00 151 L 7.71 3.49 0.00 1.35 1.40 0.75 0.13 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 0.00 152 N 7.46 4.03 0.00 2.79 2.77 0.00 0.00 6.89 7.82 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 0.00 153 I 7.70 4.63 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.74 0.89 0.00 0.00 154 S 8.48 4.67 0.00 3.81 3.77 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 0.00 155 I 8.11 4.76 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.61 0.85 0.00 0.00 156 T 9.02 4.39 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 1.20 0.00 0.00 157 V 8.19 4.02 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 0.80 0.00 0.00 0.91 0.00 0.00 158 P 0.00 4.29 0.00 2.07 1.98 0.00 3.65 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 2.01 2.10 0.00 159 Q 8.31 4.75 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.51 2.32 0.00 160 A 8.77 4.06 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 F 8.12 4.68 0.00 2.99 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 0.00 162 N 7.87 4.41 0.00 2.53 2.51 0.00 0.00 7.01 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