NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3107 0.0000 0.0000 62.9277 33.8495 174.2275 2 H 5.0509 7.8460 116.8287 53.9053 32.4901 171.5072 3 F 5.5978 9.2456 124.2329 55.6524 43.5803 173.1803 4 L 4.3308 8.1430 122.9579 53.4870 44.0630 175.2238 5 I 4.5770 8.4919 127.7264 59.7478 39.0302 174.1166 6 L 5.2306 9.2553 130.4798 53.1939 44.5426 174.7350 7 N 5.4037 9.1611 123.5683 51.7942 41.7267 174.7400 8 G 4.2288 8.6832 114.3913 43.3184 0.0000 171.1211 9 P 4.8297 0.0000 0.0000 63.8406 31.6175 177.3501 10 N 4.4727 8.7792 116.6926 53.7598 38.2365 176.5667 11 V 3.5394 7.4940 118.2357 65.7317 31.6402 177.5464 12 N 4.3803 8.0648 115.5151 55.0583 37.1619 175.4438 13 R 4.2687 7.9015 117.5427 55.6469 30.6602 176.0634 14 L 3.6293 7.3672 119.2001 56.6179 41.9733 178.0806 15 G 4.0444 8.9289 111.2973 45.6462 0.0000 174.5191 16 S 4.2976 7.5280 112.9608 59.3170 63.4824 173.6186 17 R 4.1442 8.1119 118.0695 57.0913 31.4223 175.8499 18 E 3.9277 8.1963 109.1108 56.8834 25.9342 173.1214 19 P 4.8038 0.0000 0.0000 64.8325 32.5351 179.5859 20 E 4.1199 8.4651 117.9586 59.5532 29.5572 178.6231 21 V 3.4847 7.8257 116.2438 65.6337 31.6192 176.6665 22 F 4.6242 7.6584 115.4125 56.7781 40.0147 176.2041 23 G 4.0079 9.2606 110.7743 45.2972 0.0000 175.4777 24 R 4.0765 8.2462 116.5087 58.0442 29.8045 177.3420 25 Q 4.4513 7.8702 114.4611 56.4452 29.7622 175.4377 26 T 4.9259 7.9263 111.7561 59.2891 72.3567 175.2740 27 L 3.9068 8.1049 121.1207 58.4785 41.9352 178.7510 28 T 3.7190 7.6995 115.3590 66.5599 68.4587 176.1954 29 D 4.2937 8.5741 121.1866 57.4556 40.7865 178.9871 30 I 3.6621 7.5971 120.0540 64.1846 37.0585 178.0014 31 E 3.2964 8.1433 120.4346 59.3220 29.3420 179.0841 32 T 3.7883 7.9466 115.8391 66.8116 68.5097 176.4433 33 D 4.4306 8.0934 120.7423 57.3892 40.6597 178.8960 34 L 4.2536 8.5972 122.3500 58.0719 41.5477 180.2864 *35 F 4.3320 8.1492 120.9847 62.0251 38.0158 181.0727 36 Q 4.2031 8.2580 119.0282 58.9031 28.5437 178.8220 37 F 3.9439 8.5693 121.1153 61.5082 39.4768 177.2085 38 A 4.0390 9.2275 121.1282 55.6228 18.3819 179.5233 39 E 3.9574 8.3621 116.3561 58.9826 29.3512 179.2567 40 A 3.9693 8.2616 120.6517 54.1848 18.5420 178.4510 41 L 4.0287 7.6175 116.7455 54.6022 43.4005 175.5984 42 H 4.0284 7.7296 114.1573 57.1708 26.2844 173.1638 43 I 4.7259 7.8234 110.7394 59.7218 41.5789 175.8078 44 Q 4.7871 9.0980 121.4697 54.2897 31.4991 174.9762 45 L 5.2877 8.3510 120.5218 53.4181 45.8435 175.8388 46 T 4.6989 8.6041 119.2983 61.8016 71.5054 173.1187 47 F 5.2982 8.8720 123.9271 56.1281 41.4943 175.0557 48 F 5.0912 8.9140 123.6324 57.1066 43.0943 172.7233 49 Q 5.3355 7.5909 125.6744 53.4741 32.0772 173.9148 50 S 4.4703 8.0146 117.0186 57.7990 65.7456 174.7418 51 N 4.6947 8.9073 121.4224 53.6634 39.3441 174.1608 52 H 4.9704 8.1076 117.4874 54.0081 30.4357 175.3587 53 E 3.9982 9.0931 125.4097 59.5432 29.4410 179.1608 54 G 3.6962 8.1410 105.0491 47.9323 0.0000 175.1889 55 D 4.5267 8.0577 121.0587 57.2007 40.7993 178.8943 56 L 4.1406 7.9358 119.0935 57.7536 41.7261 179.3286 57 I 3.6292 7.8114 119.7305 64.5622 37.0718 178.1212 58 D 4.3211 8.5113 119.8201 57.4189 40.6191 178.8802 59 A 3.9736 8.0435 121.1852 55.0411 18.1250 179.8369 60 I 3.6762 7.7305 117.4911 64.9084 37.3161 177.8642 61 H 4.3897 8.0440 115.6733 59.1734 28.6834 177.2961 62 E 4.2004 8.3604 119.0758 58.2815 29.4239 178.8489 63 A 4.3352 7.9778 121.5635 55.0592 18.3265 178.8945 64 E 3.9464 8.3564 117.8735 59.2664 29.6935 177.8116 65 E 4.6162 7.6658 113.8209 56.1236 29.6825 176.2343 66 Q 4.1073 8.3609 118.8344 55.4730 31.2290 173.8191 67 Y 4.9170 7.6347 113.1544 56.2256 41.2921 174.8879 68 S 4.8245 8.4811 113.2904 57.7624 64.0328 174.0916 69 G 4.2337 7.6982 106.0286 46.3217 0.0000 172.5313 70 I 5.0897 8.2960 121.3708 59.1527 41.4410 174.8785 71 V 4.6184 8.5080 125.8595 61.1997 33.7772 173.8436 72 L 5.0711 9.1663 131.2495 53.3707 44.5402 174.5096 73 N 5.3231 9.4666 126.1119 50.3108 40.0852 172.5730 74 P 4.4058 0.0000 0.0000 62.0426 32.8801 178.2416 75 G 4.0286 8.2749 108.6907 45.6572 0.0000 174.3291 76 A 4.3226 8.4975 120.3998 54.0673 19.0202 179.6974 77 L 3.2707 7.5552 115.3387 57.7832 41.4939 179.1453 78 S 3.9207 7.7554 112.5043 61.7219 61.9212 175.3764 79 H 4.9989 8.0027 116.1088 56.6399 28.9921 175.2324 80 Y 4.6162 7.1041 114.4329 56.2056 42.1735 176.1415 81 S 4.1712 7.6533 116.5375 57.9585 60.7654 173.4870 82 Y 4.2043 8.1306 125.3984 60.0139 37.9325 177.3485 83 A 4.0831 8.0050 121.9353 55.1506 18.5595 179.5262 84 I 3.7516 7.8722 118.4263 64.0227 37.1826 178.5891 85 R 3.8912 7.7502 119.9564 59.7705 29.7982 178.4408 86 D 4.4409 8.1467 116.8385 57.0214 41.0033 178.5070 87 A 4.2323 8.0224 121.5238 55.2081 18.3143 179.7207 88 V 3.5735 7.9250 116.8053 66.4557 31.3838 178.4464 89 S 4.2589 7.9549 113.3969 60.7692 62.7254 175.7548 90 S 4.5484 7.8265 115.2382 57.7379 63.4668 173.5277 91 I 4.7487 7.1536 115.3217 58.4953 39.8757 175.4862 92 S 4.5444 9.2711 114.9590 58.9829 63.7704 174.8530 93 L 4.4346 7.8029 120.9616 53.8457 42.5088 174.8960 94 P 4.5239 0.0000 0.0000 62.8089 32.8664 175.0076 95 V 4.8174 8.4996 123.3061 60.9498 34.6126 173.9256 96 V 4.5273 8.5524 127.4936 60.9882 34.1525 173.8139 97 E 4.8050 8.6175 129.0572 55.5930 30.8156 175.1836 98 V 4.8636 8.5523 125.6068 61.5145 35.5620 173.5583 99 H 4.8566 8.7193 123.8688 54.0602 32.1165 174.4928 100 L 4.2172 8.7777 123.3865 57.7015 42.5689 177.9156 101 S 4.5413 7.8874 111.3179 56.9579 64.4711 173.7622 102 N 4.4253 8.1273 119.5828 52.5175 37.6627 175.2219 103 L 3.7876 7.8731 126.5224 57.6138 41.9807 179.6347 104 Y 4.0918 6.8386 115.2044 60.4636 37.7681 176.8894 105 A 4.3699 7.9786 120.4625 52.5752 19.6734 177.6957 106 R 4.7035 7.6053 116.8048 54.7190 31.7765 175.6942 107 E 3.9312 8.3625 119.6283 57.3365 30.3150 177.4833 108 E 3.3087 8.7605 123.3204 59.0360 29.8352 179.0975 109 F 4.2649 7.9837 112.5110 59.6656 37.9559 176.1008 110 R 3.3237 6.7441 117.8871 57.0755 29.6964 176.7341 111 H 4.7229 7.9200 115.2399 56.4739 29.1569 175.2589 112 Q 4.6128 7.7506 117.0869 54.1492 31.2646 174.1461 113 S 4.8776 8.6356 115.6461 56.7768 63.7417 174.2652 114 V 3.9403 8.6408 121.2803 62.9425 31.9971 177.8119 115 I 4.0741 7.6134 120.4152 63.3143 37.5112 177.4906 116 A 4.0187 8.3702 122.2338 54.7588 17.9337 177.6328 117 P 4.2478 0.0000 0.0000 65.2309 31.4819 177.5213 118 V 4.0789 7.6731 107.5727 61.0781 32.2522 175.7294 119 A 4.5122 7.2947 123.0899 50.8837 20.5267 177.3937 120 K 4.1153 8.7715 117.3257 59.4253 32.6791 177.8420 121 G 3.9866 7.3668 103.9250 46.1117 0.0000 171.3139 122 Q 5.0977 8.4597 119.2669 54.5989 32.6670 174.5877 123 I 4.6074 8.6322 124.6829 59.5581 40.6446 174.6149 124 V 4.6982 8.4650 126.1930 62.3377 34.1834 175.7976 125 G 3.9447 8.9377 114.8623 45.5069 0.0000 173.7249 126 L 4.4583 7.6500 118.3298 54.1911 42.6924 178.4989 127 G 3.8230 7.9029 109.2026 45.6988 0.0000 175.0244 128 A 4.2532 8.4743 119.9949 54.8185 18.9541 179.5132 129 E 3.9904 8.4868 116.5573 59.5182 29.2830 178.8648 130 G 3.6597 7.9754 105.4498 48.2260 0.0000 175.1680 131 Y 4.0943 8.0675 118.6701 60.7231 37.7556 178.8033 132 K 3.5930 7.8807 118.9508 59.2650 32.1367 179.1834 133 L 4.0032 8.2032 119.3756 57.8063 41.4678 179.5129 134 A 3.9945 8.3356 121.0318 55.1639 18.2313 179.8269 135 V 3.3791 8.1038 116.9298 66.1023 31.4888 178.4942 136 R 4.0126 8.4933 118.1676 59.3313 29.7137 178.2619 137 Y 4.0694 7.9808 118.1834 60.7981 39.1333 177.8484 138 L 3.8583 8.1098 119.9144 57.6944 41.3929 179.4769 139 L 4.1970 7.9386 118.2590 57.9498 41.7272 179.5908 140 S 4.1948 8.1487 112.8847 60.8408 62.7906 174.8390 141 Q 4.1513 7.5237 125.8602 55.9488 28.7489 175.2132 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 P 0.00 4.31 0.00 1.60 2.10 0.00 3.21 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.04 0.00 2 H 7.85 5.05 0.00 3.10 3.08 0.00 5.54 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.25 5.60 0.00 3.01 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 4 L 8.14 4.33 0.00 0.74 1.17 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.49 4.58 1.57 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 0.59 0.36 0.98 0.00 0.00 6 L 9.26 5.23 0.00 1.67 1.53 0.97 0.72 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 7 N 9.16 5.40 0.00 2.64 2.68 0.00 0.00 6.40 7.19 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 8 G 8.68 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 0.00 0.00 0.00 0.00 9 P 0.00 4.83 0.00 2.23 2.35 0.00 4.08 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 10 N 8.78 4.47 0.00 2.79 2.96 0.00 0.00 6.42 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 11 V 7.49 3.54 2.16 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 1.06 0.00 0.00 0.99 0.00 0.00 12 N 8.06 4.38 0.00 2.81 3.03 0.00 0.00 5.99 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.90 4.27 0.00 1.82 1.89 0.00 3.27 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 14 L 7.37 3.63 0.00 1.62 1.73 0.77 1.01 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 15 G 8.93 4.04 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 0.00 0.00 0.00 16 S 7.53 4.30 0.00 3.93 3.96 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 17 R 8.11 4.14 0.00 1.90 1.92 0.00 3.13 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.59 0.00 18 E 8.20 3.93 0.00 1.99 2.16 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 2.25 1.86 0.00 19 P 0.00 4.80 0.00 2.24 2.43 0.00 3.89 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 20 E 8.47 4.12 0.00 1.93 2.05 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 2.31 2.38 0.00 21 V 7.83 3.48 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 -0.04 0.00 0.00 0.79 0.00 0.00 22 F 7.66 4.62 0.00 3.00 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 23 G 9.26 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 0.00 0.00 0.00 24 R 8.25 4.08 0.00 1.85 1.86 0.00 3.27 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 25 Q 7.87 4.45 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 26 T 7.93 4.93 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 1.18 0.00 0.00 27 L 8.10 3.91 0.00 1.71 1.62 0.80 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.70 3.72 4.17 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 1.13 0.00 0.00 29 D 8.57 4.29 0.00 2.59 2.68 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 30 I 7.60 3.66 1.87 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 1.40 0.67 0.67 0.00 0.00 31 E 8.14 3.30 0.00 1.96 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 32 T 7.95 3.79 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 1.24 0.00 0.00 33 D 8.09 4.43 0.00 2.90 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 34 L 8.60 4.25 0.00 1.90 2.01 0.91 0.92 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 *35 F 8.15 4.33 0.00 2.30 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 0.00 0.00 0.00 0.00 36 Q 8.26 4.20 0.00 2.41 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.61 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 37 F 8.57 3.94 0.00 3.30 3.37 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 38 A 9.23 4.04 1.51 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 0.00 0.00 39 E 8.36 3.96 0.00 2.25 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 2.32 2.19 0.00 40 A 8.26 3.97 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 41 L 7.62 4.03 0.00 1.43 1.49 0.52 0.87 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 42 H 7.73 4.03 0.00 3.31 3.32 0.00 5.87 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.82 4.73 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.69 0.92 0.00 0.00 44 Q 9.10 4.79 0.00 1.71 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 45 L 8.35 5.29 0.00 1.44 1.04 1.15 0.97 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 46 T 8.60 4.70 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 1.32 0.00 0.00 47 F 8.87 5.30 0.00 2.93 2.97 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 48 F 8.91 5.09 0.00 3.11 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 49 Q 7.59 5.34 0.00 1.90 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.47 0.00 0.00 0.00 0.00 0.00 2.26 2.01 0.00 50 S 8.01 4.47 0.00 3.62 3.56 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 51 N 8.91 4.69 0.00 2.76 2.77 0.00 0.00 6.93 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 52 H 8.11 4.97 0.00 3.35 3.26 0.00 5.63 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 53 E 9.09 4.00 0.00 1.98 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 2.36 2.32 0.00 54 G 8.14 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 55 D 8.06 4.53 0.00 3.00 3.02 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 56 L 7.94 4.14 0.00 1.81 1.75 0.92 0.98 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 57 I 7.81 3.63 1.95 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 1.50 0.82 0.73 0.00 0.00 58 D 8.51 4.32 0.00 2.80 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 59 A 8.04 3.97 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 60 I 7.73 3.68 2.00 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 1.55 0.71 0.96 0.00 0.00 61 H 8.04 4.39 0.00 3.27 3.37 0.00 5.67 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 62 E 8.36 4.20 0.00 2.23 1.98 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 2.31 2.39 0.00 63 A 7.98 4.34 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 3.95 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 65 E 7.67 4.62 0.00 1.98 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 2.26 2.21 0.00 66 Q 8.36 4.11 0.00 1.57 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.68 0.00 0.00 0.00 0.00 0.00 1.16 1.72 0.00 67 Y 7.63 4.92 0.00 2.98 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 68 S 8.48 4.82 0.00 3.99 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 69 G 7.70 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 0.00 0.00 0.00 0.00 70 I 8.30 5.09 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.77 0.95 0.00 0.00 71 V 8.51 4.62 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 1.01 0.00 0.00 0.89 0.00 0.00 72 L 9.17 5.07 0.00 1.72 1.46 0.97 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.47 5.32 0.00 2.70 2.95 0.00 0.00 6.82 8.24 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 74 P 0.00 4.41 0.00 2.19 2.21 0.00 3.69 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 2.04 2.00 0.00 75 G 8.27 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 0.00 0.00 0.00 76 A 8.50 4.32 1.54 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 0.00 0.00 77 L 7.56 3.27 0.00 1.78 1.47 0.83 0.27 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 78 S 7.76 3.92 0.00 3.97 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 0.00 79 H 8.00 5.00 0.00 3.48 3.62 0.00 5.72 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.10 4.62 0.00 2.92 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 81 S 7.65 4.17 0.00 3.47 3.61 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 0.00 0.00 0.00 0.00 82 Y 8.13 4.20 0.00 3.15 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 83 A 8.01 4.08 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 84 I 7.87 3.75 1.80 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 1.38 0.57 0.88 0.00 0.00 85 R 7.75 3.89 0.00 1.94 2.27 0.00 3.44 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 86 D 8.15 4.44 0.00 2.73 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 87 A 8.02 4.23 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 88 V 7.93 3.57 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 1.05 0.00 0.00 0.97 0.00 0.00 89 S 7.95 4.26 0.00 4.11 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 7.83 4.55 0.00 4.03 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 0.00 91 I 7.15 4.75 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.17 1.00 0.00 0.00 92 S 9.27 4.54 0.00 3.97 4.04 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 93 L 7.80 4.43 0.00 1.62 1.72 1.10 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.52 0.00 2.20 2.26 0.00 3.83 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 2.12 2.01 0.00 95 V 8.50 4.82 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 1.04 0.00 0.00 0.96 0.00 0.00 96 V 8.55 4.53 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 0.57 0.00 0.00 0.90 0.00 0.00 97 E 8.62 4.81 0.00 2.10 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 2.23 2.31 0.00 98 V 8.55 4.86 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.75 0.00 0.00 99 H 8.72 4.86 0.00 3.01 3.08 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.78 4.22 0.00 1.79 1.78 0.97 1.01 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 0.00 101 S 7.89 4.54 0.00 3.61 3.39 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 0.00 102 N 8.13 4.43 0.00 2.68 2.68 0.00 0.00 6.88 6.66 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 0.00 103 L 7.87 3.79 0.00 0.94 1.44 0.54 0.73 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 0.00 104 Y 6.84 4.09 0.00 3.02 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 0.00 105 A 7.98 4.37 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 0.00 106 R 7.61 4.70 0.00 1.69 1.67 0.00 2.90 0.00 0.00 3.01 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 107 E 8.36 3.93 0.00 1.41 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 2.49 2.34 0.00 108 E 8.76 3.31 0.00 1.88 1.90 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 2.33 2.22 0.00 109 F 7.98 4.26 0.00 3.07 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 0.00 110 R 6.74 3.32 0.00 1.54 1.65 0.00 2.84 0.00 0.00 3.05 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 111 H 7.92 4.72 0.00 3.25 3.44 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.75 4.61 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 113 S 8.64 4.88 0.00 3.84 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.64 3.94 1.73 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 0.39 0.00 0.00 0.56 0.00 0.00 115 I 7.61 4.07 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.76 0.90 0.00 0.00 116 A 8.37 4.02 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 0.00 117 P 0.00 4.25 0.00 2.07 2.18 0.00 3.85 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 2.10 2.24 0.00 118 V 7.67 4.08 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 0.70 0.00 0.00 1.08 0.00 0.00 119 A 7.29 4.51 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 0.00 120 K 8.77 4.12 0.00 1.81 1.86 0.00 2.00 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.71 7.81 121 G 7.37 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 0.00 122 Q 8.46 5.10 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.54 0.00 123 I 8.63 4.61 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.41 0.85 0.00 0.00 124 V 8.47 4.70 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 0.48 0.00 0.00 0.89 0.00 0.00 125 G 8.94 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 0.00 126 L 7.65 4.46 0.00 1.60 1.66 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 127 G 7.90 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.47 4.25 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 0.00 129 E 8.49 3.99 0.00 2.08 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 0.00 2.37 2.43 0.00 130 G 7.98 3.66 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 0.00 0.00 0.00 131 Y 8.07 4.09 0.00 3.12 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 0.00 132 K 7.88 3.59 0.00 1.73 1.27 0.00 1.54 0.00 0.00 1.25 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 1.06 7.81 133 L 8.20 4.00 0.00 1.78 1.73 0.91 0.77 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 0.00 134 A 8.34 3.99 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 0.00 135 V 8.10 3.38 2.44 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 1.45 0.00 0.00 1.08 0.00 0.00 136 R 8.49 4.01 0.00 2.17 2.07 0.00 3.32 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.11 0.00 137 Y 7.98 4.07 0.00 2.95 3.14 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 0.00 138 L 8.11 3.86 0.00 1.59 0.93 0.95 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.94 4.20 0.00 1.80 1.80 1.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.15 4.19 0.00 3.96 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 0.00 141 Q 7.52 4.15 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.58 0.00 0.00 0.00 0.00 0.00 1.53 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.