NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5015 8.3049 120.3194 55.2150 33.4229 174.4687 2 K 4.4420 8.1221 119.7228 54.4303 36.4463 174.6475 3 R 4.5686 8.7896 120.7928 54.8631 32.9448 177.8267 4 V 3.9596 8.5581 118.7133 66.4689 31.3664 177.9650 5 E 4.1001 8.2859 116.7029 59.4296 29.2735 178.7864 6 D 4.2893 8.0221 119.9209 56.9015 40.8256 178.5292 7 W 4.2874 8.1497 119.0002 60.0306 29.0845 178.5016 8 I 3.8332 8.0268 119.6922 64.2649 36.4543 178.6616 9 K 4.0055 8.4073 119.6383 59.6154 31.8169 179.3357 10 Q 3.9828 8.5067 118.4211 59.0031 28.5966 178.9139 11 A 4.0581 8.2664 121.8393 55.1471 18.4640 179.5669 12 E 3.9575 8.6854 117.6758 59.4831 29.4114 179.5700 13 R 3.9676 8.3308 119.0707 59.2761 30.0625 178.1764 14 D 4.3898 8.3867 119.0466 57.2130 40.8028 178.4979 15 L 3.9656 8.1094 120.7810 58.1954 42.1619 178.5395 16 E 3.9767 8.2608 119.1679 59.5886 29.5217 178.7417 17 E 4.1469 8.7275 118.6394 59.0709 29.4589 179.1813 18 A 4.1185 8.3580 121.4087 55.2934 18.4263 179.8606 19 R 3.9686 8.2878 116.6757 59.5508 30.0861 178.6629 20 Y 4.1788 8.3465 119.1148 60.7208 38.7360 177.9936 21 A 4.0862 8.6718 122.1845 55.0517 18.4281 179.4728 22 K 4.0309 8.3766 118.2409 59.8349 32.0884 178.9671 23 S 4.1673 8.2520 112.5948 60.8320 62.3371 175.4554 24 G 3.5463 7.3922 105.6626 44.3748 0.0000 174.4371 25 G 3.1258 7.6098 109.1159 45.8642 0.0000 175.2284 26 Y 4.4066 7.1306 120.1378 56.8113 35.0806 175.7271 27 Y 4.4400 7.2119 121.5685 60.7842 38.5731 177.3623 28 E 3.0400 8.1514 118.3348 58.7488 29.5196 178.9495 29 L 3.9306 7.8484 120.6121 58.0671 42.3654 178.4184 30 A 4.1177 8.3688 120.9509 55.6826 18.2337 179.4813 31 C 4.2504 8.2975 115.1213 62.7885 28.2545 175.9864 32 F 4.1144 8.5833 122.5435 61.4511 38.9483 177.2880 33 L 3.9905 8.4277 118.4960 57.5657 41.2260 179.7126 34 S 4.1474 8.2575 115.6086 61.5465 62.6875 176.3654 35 Q 3.9193 8.0250 122.3248 59.1118 28.6789 178.2687 36 Q 3.8348 7.7889 119.2194 58.8165 28.7017 178.0291 37 C 4.0079 8.3326 119.7989 62.6347 31.5178 175.6257 38 A 4.0160 8.0306 122.0034 55.0989 17.9270 179.1165 39 E 3.8438 8.4482 118.1381 59.4450 29.7179 179.2250 40 K 4.1808 8.3682 118.3278 59.4483 32.1102 179.1416 41 A 4.0283 8.1743 121.0417 55.3556 18.2556 179.9486 42 V 3.5733 8.0513 116.8311 65.9707 31.5640 178.4347 43 K 3.6218 8.1401 118.6330 58.5772 31.5697 179.6167 44 G 3.4440 7.6192 106.3478 47.6040 0.0000 175.5024 45 L 3.9204 7.9050 123.3253 57.7901 42.0317 179.0154 46 L 3.9878 8.0221 119.1590 57.8263 41.5095 179.3594 47 Q 4.0590 8.1212 119.6234 59.1203 28.7951 177.9850 48 F 4.1856 8.0892 120.8731 60.9406 39.5214 176.3079 49 Q 4.2381 8.1616 115.4467 55.1262 28.8749 175.9979 50 G 3.9222 7.6989 107.8204 46.7298 0.0000 174.6340 51 I 4.3786 7.6794 117.3100 59.3377 36.8053 176.9597 52 E 3.9158 8.0518 118.9997 57.0474 29.9683 177.3927 53 K 4.7403 8.3236 121.7681 54.6803 36.2093 175.1448 54 R 4.5498 8.5388 117.8490 54.7999 34.0796 173.4146 55 G 3.8041 8.1327 104.3515 44.8641 0.0000 173.5469 56 H 4.7847 8.4853 113.2695 55.1770 29.5319 174.6615 57 S 4.4243 7.8998 114.9873 57.8195 63.4413 174.3783 58 I 3.8540 10.0683 131.9494 64.4324 37.0670 178.4369 59 S 4.0664 8.4666 114.1378 61.5969 61.9612 175.7359 60 H 4.5964 7.9429 117.5704 58.0458 28.6146 177.2734 61 L 4.1667 7.4529 120.4552 56.2182 41.7327 177.5160 62 L 4.3931 6.7646 116.7446 54.3673 42.4600 176.6392 63 T 4.4346 8.0271 116.6965 62.5913 70.6491 173.9827 64 N 4.1698 8.8968 126.4346 53.5013 36.1829 172.7592 65 P 4.6852 0.0000 0.0000 61.3605 32.8290 174.6703 66 P 4.3684 0.0000 0.0000 62.0743 33.0455 177.2754 67 A 3.9275 8.5517 122.1462 55.7482 18.2070 180.0558 68 D 4.2777 7.9005 116.7715 56.3675 39.5246 178.8229 69 I 3.3797 7.2436 120.8115 64.0185 37.1789 177.7478 70 L 3.9096 7.7917 121.2747 58.2625 41.8298 179.0885 71 Q 3.9828 8.3760 118.3075 59.2446 28.5842 178.1819 72 C 4.4197 8.1944 117.3499 59.6481 40.2319 175.9426 73 A 3.9359 8.4233 122.8386 55.5644 17.7887 179.6401 74 T 3.7601 8.0510 113.2006 66.8038 68.6904 176.2828 75 F 4.3051 8.3255 122.2851 61.4421 39.4339 177.3165 76 L 3.8198 8.3813 118.8891 57.6303 41.1497 179.1396 77 D 4.2746 8.1090 118.3218 56.7897 40.7593 178.2588 78 K 4.0491 7.3828 117.6192 57.1050 32.2919 177.2411 79 Q 4.2630 7.5579 118.6841 55.0225 29.7227 174.6520 80 Y 3.9968 7.8381 119.5578 58.5869 38.2538 175.5266 81 T 2.6432 6.3846 123.1544 62.7896 72.8065 170.1995 82 P 4.5576 0.0000 0.0000 61.5206 33.7194 173.4781 83 S 4.2915 8.5737 118.0160 60.4080 63.0038 175.3965 84 R 4.5667 7.5486 116.4018 54.4312 32.1760 173.9310 85 Y 4.7619 7.6335 116.9051 56.1068 41.6020 173.2204 86 P 3.5208 0.0000 0.0000 63.5007 29.2673 178.1963 87 D 4.5298 7.6412 120.7192 59.2655 43.8815 178.4254 88 V 3.8588 7.0307 118.0884 62.4928 30.0875 175.6178 89 Y 4.2175 10.6434 117.9174 57.0654 39.0121 175.6589 90 Y 4.4675 8.0721 119.1204 57.3294 39.2049 175.3769 91 E 4.3695 8.3933 121.5969 57.1014 31.3042 178.8513 92 G 3.7924 8.5982 107.5071 46.1800 0.0000 174.5272 93 A 4.4654 8.4785 127.6496 50.4516 18.9951 176.0953 94 P 4.6924 0.0000 0.0000 66.6656 31.2684 178.3980 95 Y 4.2979 8.1535 115.8531 59.9520 37.6448 177.7738 96 E 3.7261 7.1157 118.9103 57.7990 29.4237 176.8703 97 Y 4.3452 7.7345 115.1799 57.6044 38.6841 175.2328 98 Y 4.7047 7.8154 118.2756 57.3561 39.6449 175.0048 99 T 4.7895 8.9065 111.9869 59.1925 73.3437 174.7172 100 E 2.5400 7.9765 120.7022 58.8219 29.4146 178.4682 101 R 3.8258 7.8146 118.3518 59.4597 29.9876 178.1216 102 D 4.4882 7.9580 118.5891 57.2840 40.8689 178.4240 103 A 4.1572 7.9551 121.0568 55.4117 18.3167 179.3870 104 D 4.3511 8.3982 117.5581 57.7082 40.9488 178.9947 105 E 3.9413 8.6115 119.3836 59.4758 29.3481 179.3257 106 C 4.5141 8.7332 117.1158 62.9539 28.2082 176.1140 107 I 3.9245 8.1842 123.0846 64.1535 36.7500 178.4043 108 N 4.3804 8.5581 117.3827 56.3659 38.2520 176.9708 109 C 4.3298 8.4913 118.0643 59.7907 38.5734 175.7706 110 A 3.9717 8.3458 122.6192 55.3395 17.8758 179.8089 111 I 3.7380 8.1389 118.5237 64.3161 37.1406 178.6246 112 R 3.9153 8.1941 119.6584 59.6229 29.8767 178.7488 113 I 3.8732 7.9746 119.6632 64.2730 37.0561 178.1949 114 L 4.0169 8.4418 121.7108 58.3205 41.9117 178.8419 115 N 4.4052 8.7247 116.9251 55.8534 38.2661 177.3175 116 W 4.1851 8.1627 129.3206 60.3228 31.0764 178.0347 117 V 3.4008 8.3493 118.6089 65.8485 31.1471 178.1591 118 K 3.9264 8.2781 118.4772 59.3823 31.6208 179.4780 119 G 3.5726 7.8239 104.9225 46.8831 0.0000 174.7734 120 Q 4.3639 7.4431 117.9348 55.2177 30.1033 176.3646 121 I 2.5896 6.6790 121.3880 59.4110 35.8908 175.9523 122 K 4.2801 7.7587 122.8810 56.5826 31.5041 176.3855 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.50 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 2 K 8.12 4.44 0.00 1.33 1.18 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.38 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.90 1.08 7.81 3 R 8.79 4.57 0.00 2.03 1.90 0.00 3.16 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 4 V 8.56 3.96 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 1.26 0.00 0.00 1.21 0.00 0.00 5 E 8.29 4.10 0.00 2.26 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 0.00 2.40 2.42 0.00 6 D 8.02 4.29 0.00 2.77 2.55 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 0.00 0.00 0.00 7 W 8.15 4.29 0.00 3.56 3.42 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 8 I 8.03 3.83 1.92 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 1.79 0.93 0.93 0.00 0.00 9 K 8.41 4.01 0.00 1.93 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.65 7.81 10 Q 8.51 3.98 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 11 A 8.27 4.06 1.49 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 0.00 0.00 12 E 8.69 3.96 0.00 2.13 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 2.36 2.66 0.00 13 R 8.33 3.97 0.00 2.01 2.07 0.00 3.14 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 14 D 8.39 4.39 0.00 2.92 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.11 3.97 0.00 1.80 1.86 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.26 3.98 0.00 2.11 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 0.00 2.30 2.38 0.00 17 E 8.73 4.15 0.00 2.31 2.08 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 2.35 2.47 0.00 18 A 8.36 4.12 1.47 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 0.00 0.00 19 R 8.29 3.97 0.00 2.12 2.08 0.00 3.20 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 20 Y 8.35 4.18 0.00 3.04 3.23 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 21 A 8.67 4.09 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 22 K 8.38 4.03 0.00 2.02 2.09 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.59 1.73 7.81 23 S 8.25 4.17 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 24 G 7.39 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.61 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 0.00 0.00 0.00 26 Y 7.13 4.41 0.00 3.06 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.21 4.44 0.00 3.26 3.23 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 28 E 8.15 3.04 0.00 1.16 1.65 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 0.00 2.20 2.25 0.00 29 L 7.85 3.93 0.00 1.73 1.95 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.37 4.12 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 0.00 0.00 0.00 0.00 0.00 31 C 8.30 4.25 0.00 3.26 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.58 4.11 0.00 3.16 3.30 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 0.00 33 L 8.43 3.99 0.00 1.90 1.95 1.08 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.26 4.15 0.00 4.09 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 35 Q 8.03 3.92 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 36 Q 7.79 3.83 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.53 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 37 C 8.33 4.01 0.00 3.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.03 4.02 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 39 E 8.45 3.84 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 40 K 8.37 4.18 0.00 2.08 2.31 0.00 1.95 0.00 0.00 1.91 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.79 7.81 41 A 8.17 4.03 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.05 3.57 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.11 0.00 0.00 43 K 8.14 3.62 0.00 0.79 0.74 0.00 1.59 0.00 0.00 1.33 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.98 1.09 7.81 44 G 7.62 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.90 3.92 0.00 1.64 1.80 0.68 0.34 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 46 L 8.02 3.99 0.00 1.82 1.80 1.08 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.12 4.06 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 48 F 8.09 4.19 0.00 3.06 3.24 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 49 Q 8.16 4.24 0.00 2.22 2.13 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 2.49 2.75 0.00 50 G 7.70 3.92 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 0.00 0.00 0.00 51 I 7.68 4.38 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.96 0.91 0.00 0.00 52 E 8.05 3.92 0.00 1.95 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 0.00 2.33 2.31 0.00 53 K 8.32 4.74 0.00 1.66 1.66 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.55 7.81 54 R 8.54 4.55 0.00 1.72 1.76 0.00 3.21 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 55 G 8.13 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 0.00 0.00 0.00 56 H 8.49 4.78 0.00 3.10 3.28 0.00 5.89 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.90 4.42 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 58 I 10.07 3.85 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 0.90 0.00 0.00 59 S 8.47 4.07 0.00 3.87 3.76 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 60 H 7.94 4.60 0.00 3.22 3.28 0.00 5.71 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.45 4.17 0.00 1.75 1.72 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 62 L 6.76 4.39 0.00 1.73 1.65 0.83 0.94 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 63 T 8.03 4.43 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 1.24 0.00 0.00 64 N 8.90 4.17 0.00 2.89 2.90 0.00 0.00 7.20 8.02 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 65 P 0.00 4.69 0.00 1.75 1.98 0.00 3.77 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 1.88 1.90 0.00 66 P 0.00 4.37 0.00 2.07 1.96 0.00 3.00 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.27 0.00 67 A 8.55 3.93 1.27 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 0.00 0.00 0.00 68 D 7.90 4.28 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 69 I 7.24 3.38 1.34 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.36 -0.05 0.00 0.00 70 L 7.79 3.91 0.00 1.64 1.72 0.88 0.82 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 71 Q 8.38 3.98 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 72 C 8.19 4.42 0.00 2.93 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.42 3.94 1.27 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 0.00 0.00 0.00 74 T 8.05 3.76 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 75 F 8.33 4.31 0.00 3.21 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 76 L 8.38 3.82 0.00 1.77 1.66 0.97 1.14 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 77 D 8.11 4.27 0.00 2.80 2.61 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 78 K 7.38 4.05 0.00 1.52 1.71 0.00 1.60 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.61 1.52 7.81 79 Q 7.56 4.26 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 80 Y 7.84 4.00 0.00 3.20 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 81 T 6.38 2.64 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 1.01 0.00 0.00 82 P 0.00 4.56 0.00 2.10 1.87 0.00 4.00 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 83 S 8.57 4.29 0.00 3.94 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 84 R 7.55 4.57 0.00 1.92 1.99 0.00 3.14 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.29 0.00 85 Y 7.63 4.76 0.00 2.92 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 3.52 0.00 1.95 1.59 0.00 3.37 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.53 0.00 87 D 7.64 4.53 0.00 3.09 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 88 V 7.03 3.86 1.94 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 0.66 0.00 0.00 0.87 0.00 0.00 89 Y 10.64 4.22 0.00 3.23 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 90 Y 8.07 4.47 0.00 3.08 2.74 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 0.00 0.00 0.00 0.00 91 E 8.39 4.37 0.00 1.81 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 92 G 8.60 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.48 4.47 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 94 P 0.00 4.69 0.00 2.41 2.57 0.00 3.72 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 95 Y 8.15 4.30 0.00 3.40 3.30 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 0.00 96 E 7.12 3.73 0.00 1.16 1.18 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 1.47 1.47 0.00 97 Y 7.73 4.35 0.00 2.15 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 0.00 0.00 0.00 98 Y 7.82 4.70 0.00 3.13 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 99 T 8.91 4.79 4.16 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 1.23 0.00 0.00 100 E 7.98 2.54 0.00 1.45 1.70 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 2.21 2.08 0.00 101 R 7.81 3.83 0.00 1.87 1.89 0.00 3.31 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 102 D 7.96 4.49 0.00 3.14 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 0.00 103 A 7.96 4.16 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 0.00 104 D 8.40 4.35 0.00 2.82 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 0.00 105 E 8.61 3.94 0.00 2.12 1.66 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 2.21 2.51 0.00 106 C 8.73 4.51 0.00 3.33 3.11 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 0.00 107 I 8.18 3.92 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.97 0.00 0.00 108 N 8.56 4.38 0.00 2.82 2.87 0.00 0.00 7.11 8.26 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 0.00 109 C 8.49 4.33 0.00 3.38 3.23 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 0.00 110 A 8.35 3.97 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 0.00 111 I 8.14 3.74 2.07 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 1.45 0.82 0.94 0.00 0.00 112 R 8.19 3.92 0.00 1.98 2.20 0.00 3.07 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 113 I 7.97 3.87 1.93 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 1.33 0.61 1.04 0.00 0.00 114 L 8.44 4.02 0.00 1.81 1.94 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.72 4.41 0.00 2.83 2.90 0.00 0.00 6.66 7.26 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 0.00 116 W 8.16 4.19 0.00 3.31 3.50 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 0.00 117 V 8.35 3.40 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 0.91 0.00 0.00 1.14 0.00 0.00 118 K 8.28 3.93 0.00 1.92 1.79 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.59 7.81 119 G 7.82 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 7.44 4.36 0.00 1.71 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.05 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 121 I 6.68 2.59 1.48 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.11 0.47 0.00 0.00 122 K 7.76 4.28 0.00 1.85 1.86 0.00 2.16 0.00 0.00 1.88 0.00 0.00 3.30 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.59 7.81