NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9980 8.3549 109.7420 45.6903 0.0000 172.8678 5 S 4.3978 8.5768 113.6574 59.8454 63.6323 174.7526 6 R 3.8705 8.4113 120.6689 59.4718 30.8241 177.4433 7 R 3.6447 8.0032 116.4578 59.1710 29.8160 176.2469 8 Y 4.4644 8.0126 112.5863 57.5320 38.1336 174.7582 9 D 4.6085 7.8196 121.3370 53.5476 41.2229 176.6427 10 S 4.1481 8.7251 123.2600 59.5160 64.0054 174.1176 11 R 3.7968 8.6572 120.3859 57.1865 26.8465 177.0302 12 T 4.1614 7.7938 106.7723 63.3372 69.8348 175.4072 13 T 4.5883 7.2817 111.7478 61.4115 67.4741 173.1125 14 I 4.4940 7.3484 113.5826 59.6922 41.0297 174.7163 15 F 4.7606 8.4121 119.7034 56.9054 39.9173 176.0100 16 S 4.5493 8.4395 118.4115 55.6762 64.1566 173.5743 17 P 4.4651 0.0000 0.0000 65.1251 31.0181 177.3506 18 E 4.2363 8.1089 115.6630 55.9180 29.7187 176.1537 19 G 3.6202 8.3302 107.3802 46.7174 0.0000 173.8558 20 R 4.6037 7.7613 117.0799 53.8092 33.1791 175.7646 21 L 4.7163 8.0458 120.4054 54.0669 41.9161 177.0382 22 Y 3.6054 7.3488 120.1985 61.6647 37.7700 178.9935 23 Q 3.9898 7.9771 117.8241 59.0798 28.8895 179.3961 24 V 3.5573 7.5953 118.5764 66.0605 31.6992 177.6940 25 E 3.9630 8.0902 118.2789 59.8647 29.3148 179.1111 26 Y 4.5045 8.2324 116.6963 60.8062 37.8154 178.1663 27 A 4.0817 8.3500 122.3788 55.0875 18.5158 179.6472 28 L 3.9273 8.2891 117.8453 57.7999 41.4299 179.2790 29 E 3.9373 7.9554 118.5148 59.3293 29.9128 178.4893 30 S 4.3111 8.0796 113.1216 61.6238 62.4217 176.2744 31 I 3.7797 8.0144 122.8914 64.1118 36.6147 178.1541 32 S 4.2529 7.9851 113.6570 60.4281 62.7578 174.4691 33 H 4.7204 7.6447 117.7399 55.4857 29.1669 174.5543 34 A 4.4172 8.0096 123.7261 50.6767 19.5461 177.7121 35 G 4.0337 8.5359 107.3735 46.3375 0.0000 173.5210 36 T 4.2959 8.6740 120.2617 63.4834 69.8169 173.0993 37 A 5.1924 8.5244 126.0734 50.2192 22.1960 175.3360 38 I 4.6262 9.5784 122.7877 59.3387 41.3097 174.8326 39 G 4.5035 8.7045 111.9078 44.5288 0.0000 172.0171 40 I 4.7271 8.7884 125.1285 59.7535 41.1995 173.8008 41 M 4.7859 8.8598 126.9271 53.9762 33.4346 175.0454 42 A 4.7913 8.9886 129.3479 49.8757 21.8926 176.4102 43 S 4.3170 8.6463 113.6196 60.7348 63.1075 174.9145 44 D 4.8693 9.2976 119.1421 50.4228 39.6744 176.1042 45 G 4.2016 6.9485 107.7145 45.5941 0.0000 171.6430 46 I 5.1012 7.6114 119.3204 59.3430 40.9881 175.5142 47 V 4.4731 8.9370 125.2444 61.0428 34.3295 174.1306 48 L 5.3362 8.6240 126.5581 52.9315 44.3721 175.7157 49 A 4.8357 9.0498 124.5753 50.2673 22.6333 174.6025 50 A 4.9057 8.4744 121.7917 50.3395 22.7892 174.7793 51 E 4.4791 9.1549 121.6631 54.4982 31.5291 175.6569 52 R 4.1589 8.5386 126.6659 55.7302 30.6177 176.0112 53 K 4.0281 8.6042 124.9847 56.5178 32.9699 172.7855 54 V 3.2341 8.6030 132.0408 62.6661 32.4282 171.3670 55 T 4.7021 8.0678 114.6011 60.5487 71.7073 172.2899 56 S 4.7325 8.1246 115.1475 56.5459 65.9221 174.8767 57 T 3.8935 8.5274 120.1279 66.6380 68.2160 175.9846 58 L 4.1965 7.5353 119.1849 55.7746 42.0767 177.2144 59 L 3.8926 7.2352 121.6644 55.0577 42.0260 176.5063 60 E 4.2801 8.5391 126.7583 55.0077 28.8083 176.1837 61 Q 4.2466 8.4199 128.3709 58.6504 29.7104 177.8942 62 D 4.3539 8.2111 116.9558 57.2807 40.8717 177.1517 63 T 4.3208 7.2284 113.0255 63.4097 68.9831 174.7006 63A S 4.5374 7.4195 116.5620 57.7863 63.5069 173.7976 64 T 4.1216 7.7772 118.3523 63.2353 71.3286 173.0863 65 E 4.8349 8.7018 122.2809 55.5201 31.4536 176.0067 66 K 4.6475 7.7329 116.3402 56.0671 36.1989 175.5473 67 L 5.1521 7.6882 119.3094 53.0767 43.5556 175.7494 68 Y 4.7954 8.8435 121.4706 55.8603 41.9097 174.9013 69 K 4.5168 8.8326 124.5338 55.7857 33.2373 176.0220 70 L 4.3901 8.6072 125.7512 55.9826 42.8245 175.2943 71 N 5.0198 7.9549 113.9506 52.2400 42.0660 173.0605 72 D 4.6565 8.6347 116.7438 55.3640 41.4239 177.0940 73 K 4.7386 7.9264 116.7504 55.8524 34.7090 175.5114 74 I 5.2949 7.6504 120.4484 59.6602 41.6883 173.9833 75 A 5.1850 9.2148 126.3407 50.7546 23.3430 175.2367 76 V 4.9528 8.8497 111.0281 59.5825 36.5004 174.5966 77 A 5.2738 8.9193 124.9723 50.3276 21.4031 175.7150 78 V 4.6827 8.9447 122.4331 61.2611 33.9085 175.4919 79 A 4.3130 9.1666 127.9672 53.1932 21.4942 174.8531 80 G 3.6962 8.4956 112.2551 45.5231 0.0000 171.8886 81 L 4.1058 8.3297 124.9216 54.8718 41.8148 177.8379 82 T 3.8563 8.8386 121.5781 66.7513 68.2554 176.2664 83 A 3.9978 8.0004 121.9674 55.2494 18.3134 179.2824 84 D 4.4326 8.1002 116.6481 57.4105 41.0374 178.4631 85 A 3.9617 8.1356 121.4072 55.4765 18.3469 179.5264 86 E 3.8067 8.3104 116.9928 59.3774 29.3326 179.7013 87 I 3.6833 7.4628 119.8084 64.5256 37.1709 178.5025 88 L 3.8280 7.5310 119.4419 57.7090 41.3026 179.6418 89 I 3.4945 8.1727 120.2411 64.2249 37.0100 178.0022 90 N 4.2651 8.2707 118.2365 56.9125 38.7591 177.1218 91 T 3.9442 7.7766 110.7567 64.5398 68.8622 176.5502 92 A 3.9547 8.2051 123.9575 55.1226 17.8922 179.8145 93 R 3.9264 8.2836 116.7889 59.3198 30.0094 179.4068 94 I 3.8649 7.5686 119.3741 64.4139 37.2089 177.7792 95 H 4.2354 8.5571 119.1215 59.1357 29.6638 177.1243 96 A 3.9687 8.0343 122.6589 55.4182 18.1468 179.7158 97 Q 4.0363 7.8694 115.4285 58.9531 28.7626 178.6175 98 N 4.3324 8.3491 117.8444 56.3215 38.4981 176.7584 99 Y 3.9256 8.1428 120.8865 60.5849 38.8841 177.7487 100 L 4.3977 8.1445 122.5794 57.7032 41.9843 178.9435 101 K 3.9524 8.1626 118.4865 59.5969 32.1335 178.7462 102 T 3.7502 7.6415 115.3858 66.0458 68.5135 175.6442 103 Y 4.5042 7.5339 114.9537 56.4225 39.2686 175.3161 104 N 4.3983 8.6042 116.6423 53.7886 36.8728 173.9571 105 E 4.8368 7.8552 114.6659 54.6221 33.9296 175.0479 106 D 4.5582 8.6183 122.2509 54.0074 41.5853 176.2522 107 I 2.7962 8.1036 123.2202 59.7629 38.5502 174.6256 108 P 4.1922 0.0000 0.0000 62.3603 33.0618 177.3653 109 V 3.4795 8.3800 121.5620 66.3295 31.4713 178.3236 110 E 3.7755 7.9422 118.2701 59.1006 29.5405 178.3752 111 I 3.5825 7.5895 119.4435 64.4659 37.1985 177.9213 112 L 3.9245 7.4025 120.9071 58.1117 41.8886 179.1776 113 V 2.9748 7.4200 118.2598 65.6373 31.3019 178.0197 114 R 3.8101 8.3572 118.9278 59.1763 29.9034 178.4762 115 R 3.8214 7.8556 118.4292 59.5427 30.2582 178.4859 116 L 3.9998 7.7605 118.6448 58.0372 41.5208 179.8196 117 S 4.2788 8.2958 115.0400 61.4921 62.7073 176.4650 118 D 4.3865 8.2557 122.0153 57.1253 40.2951 178.7394 119 I 3.7896 7.6110 119.6209 64.3764 37.0935 178.1684 120 K 4.2410 7.9664 118.9587 59.7729 31.9686 179.1202 121 Q 4.1394 8.5455 119.9565 59.0182 28.8500 178.6476 122 G 3.6370 8.1308 106.8593 48.0293 0.0000 174.9882 123 Y 3.9373 7.9043 116.4575 59.6477 37.8783 177.6831 124 T 4.2986 7.7792 116.0519 64.0691 69.2733 174.9472 125 Q 4.4617 7.7261 119.4117 55.9994 30.9327 174.2432 126 H 4.6483 7.7077 110.4998 55.3946 30.7454 173.3077 127 G 3.7803 8.7711 108.4811 44.1367 0.0000 175.0136 128 G 3.9679 7.8184 105.6047 46.2547 0.0000 173.1702 129 L 4.6753 6.9231 118.9973 52.1724 43.8324 176.7387 130 R 4.1333 8.1107 116.6127 55.4372 30.1287 174.6997 131 P 4.5608 0.0000 0.0000 61.7888 32.3951 175.8269 132 F 4.3212 8.4525 118.5270 57.3941 40.0766 177.4027 133 G 4.0317 8.9217 115.2221 45.0523 0.0000 172.8236 134 V 4.8713 7.2690 117.8455 61.4198 35.9218 175.1724 135 S 4.6391 8.4639 121.1974 56.7316 66.6438 173.0897 136 F 5.3976 8.7936 121.7693 55.6729 42.2604 174.6405 137 I 4.5630 8.3237 121.8238 59.8811 39.9224 174.0145 138 Y 5.0840 8.9739 124.6397 56.2166 39.8556 174.9306 139 A 4.7540 9.2587 126.4796 50.2661 21.6334 175.4027 140 G 4.4810 8.5061 108.4269 45.8721 0.0000 170.9452 141 Y 4.9500 8.6390 120.5286 55.9657 41.7558 173.9099 142 D 4.6284 7.4314 124.1963 51.6794 42.6801 174.3980 143 D 4.5261 8.4426 117.2769 53.4801 39.5224 176.4272 144 R 4.0933 8.2642 126.3079 56.7388 30.0437 175.5079 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 4 G 8.35 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.58 4.40 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.41 3.87 0.00 1.83 1.95 0.00 3.17 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 7 R 8.00 3.64 0.00 1.52 1.17 0.00 2.31 0.00 0.00 2.92 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.36 0.00 8 Y 8.01 4.46 0.00 2.95 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 9 D 7.82 4.61 0.00 2.68 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 10 S 8.73 4.15 0.00 3.91 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 11 R 8.66 3.80 0.00 1.99 1.95 0.00 3.11 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 1.54 1.67 0.00 12 T 7.79 4.16 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 1.21 0.00 0.00 13 T 7.28 4.59 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 1.19 0.00 0.00 14 I 7.35 4.49 1.94 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 1.65 1.17 0.97 0.00 0.00 15 F 8.41 4.76 0.00 3.09 2.87 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 16 S 8.44 4.55 0.00 3.64 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 17 P 0.00 4.47 0.00 2.09 2.18 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 18 E 8.11 4.24 0.00 1.88 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 0.00 2.26 2.34 0.00 19 G 8.33 3.62 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 0.00 0.00 0.00 20 R 7.76 4.60 0.00 1.69 1.69 0.00 3.06 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 21 L 8.05 4.72 0.00 1.58 1.48 0.82 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.35 3.61 0.00 2.80 2.48 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 23 Q 7.98 3.99 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 24 V 7.60 3.56 2.17 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 1.15 0.00 0.00 0.91 0.00 0.00 25 E 8.09 3.96 0.00 2.00 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 2.47 2.39 0.00 26 Y 8.23 4.50 0.00 2.96 2.94 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 27 A 8.35 4.08 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 28 L 8.29 3.93 0.00 1.91 1.75 0.93 1.09 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 29 E 7.96 3.94 0.00 2.05 2.31 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 2.35 2.43 0.00 30 S 8.08 4.31 0.00 3.99 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 31 I 8.01 3.78 1.99 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.73 0.95 0.00 0.00 32 S 7.99 4.25 0.00 3.96 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 33 H 7.64 4.72 0.00 3.29 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.01 4.42 1.24 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 0.00 0.00 35 G 8.54 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 36 T 8.67 4.30 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 1.21 0.00 0.00 37 A 8.52 5.19 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 0.00 0.00 0.00 0.00 0.00 38 I 9.58 4.63 1.88 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 1.17 0.86 0.92 0.00 0.00 39 G 8.70 4.50 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 0.00 40 I 8.79 4.73 1.88 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 1.12 0.74 0.92 0.00 0.00 41 M 8.86 4.79 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 42 A 8.99 4.79 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 43 S 8.65 4.32 0.00 4.00 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 44 D 9.30 4.87 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 6.95 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.61 5.10 1.91 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 1.27 0.77 0.97 0.00 0.00 47 V 8.94 4.47 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 0.99 0.00 0.00 0.94 0.00 0.00 48 L 8.62 5.34 0.00 1.52 1.54 0.94 0.80 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 49 A 9.05 4.84 1.19 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 0.00 0.00 50 A 8.47 4.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.15 4.48 0.00 2.01 1.82 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 2.23 2.27 0.00 52 R 8.54 4.16 0.00 1.84 1.93 0.00 3.24 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.60 0.00 53 K 8.60 4.03 0.00 1.72 1.71 0.00 2.03 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 54 V 8.60 3.23 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 0.84 0.00 0.00 0.93 0.00 0.00 55 T 8.07 4.70 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 1.21 0.00 0.00 56 S 8.12 4.73 0.00 3.81 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 57 T 8.53 3.89 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 1.21 0.00 0.00 58 L 7.54 4.20 0.00 1.56 1.72 0.92 1.20 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 59 L 7.24 3.89 0.00 1.53 1.71 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.54 4.28 0.00 2.08 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 2.34 2.34 0.00 61 Q 8.42 4.25 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.48 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 62 D 8.21 4.35 0.00 2.68 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 63 T 7.23 4.32 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 1.21 0.00 0.00 63A S 7.42 4.54 0.00 4.06 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 64 T 7.78 4.12 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 65 E 8.70 4.83 0.00 2.05 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 2.14 2.29 0.00 66 K 7.73 4.65 0.00 1.64 1.81 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.44 7.81 67 L 7.69 5.15 0.00 1.34 1.48 0.91 0.72 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 68 Y 8.84 4.80 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.83 4.52 0.00 1.74 1.75 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.47 7.81 70 L 8.61 4.39 0.00 1.80 1.68 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.95 5.02 0.00 2.62 2.84 0.00 0.00 7.28 7.98 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 72 D 8.63 4.66 0.00 2.73 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 73 K 7.93 4.74 0.00 1.71 2.03 0.00 1.68 0.00 0.00 1.99 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.47 7.81 74 I 7.65 5.29 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.96 0.96 0.00 0.00 75 A 9.21 5.18 1.20 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 0.00 0.00 0.00 0.00 0.00 76 V 8.85 4.95 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 0.17 0.00 0.00 0.80 0.00 0.00 77 A 8.92 5.27 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 78 V 8.94 4.68 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 0.72 0.00 0.00 1.27 0.00 0.00 79 A 9.17 4.31 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 0.00 0.00 0.00 0.00 0.00 80 G 8.50 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 81 L 8.33 4.11 0.00 1.67 1.64 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.84 3.86 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 1.33 0.00 0.00 83 A 8.00 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.10 4.43 0.00 2.96 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 85 A 8.14 3.96 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 86 E 8.31 3.81 0.00 2.10 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 0.00 2.04 2.47 0.00 87 I 7.46 3.68 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.99 0.00 0.00 88 L 7.53 3.83 0.00 1.85 1.66 0.54 0.34 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 89 I 8.17 3.49 1.76 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.74 0.75 0.00 0.00 90 N 8.27 4.27 0.00 2.85 2.94 0.00 0.00 6.98 6.73 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 91 T 7.78 3.94 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 1.22 0.00 0.00 92 A 8.21 3.95 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 93 R 8.28 3.93 0.00 2.02 2.00 0.00 3.11 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.83 0.00 94 I 7.57 3.86 2.04 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 1.42 0.81 0.94 0.00 0.00 95 H 8.56 4.24 0.00 3.23 3.45 0.00 5.79 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 96 A 8.03 3.97 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 97 Q 7.87 4.04 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 98 N 8.35 4.33 0.00 2.97 2.90 0.00 0.00 6.58 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 99 Y 8.14 3.93 0.00 3.17 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 0.00 100 L 8.14 4.40 0.00 1.99 1.89 1.04 0.29 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 0.00 101 K 8.16 3.95 0.00 1.82 1.91 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.44 7.81 102 T 7.64 3.75 3.62 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 0.09 0.00 0.00 103 Y 7.53 4.50 0.00 2.59 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.60 4.40 0.00 2.86 2.92 0.00 0.00 6.72 7.24 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 0.00 105 E 7.86 4.84 0.00 2.15 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 2.35 2.56 0.00 106 D 8.62 4.56 0.00 2.70 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 0.00 107 I 8.10 2.80 1.55 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 0.98 -0.36 0.76 0.00 0.00 108 P 0.00 4.19 0.00 1.98 1.81 0.00 2.86 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.00 0.00 109 V 8.38 3.48 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 0.92 0.00 0.00 0.87 0.00 0.00 110 E 7.94 3.78 0.00 1.97 1.82 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 2.28 2.30 0.00 111 I 7.59 3.58 1.74 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.49 0.84 0.00 0.00 112 L 7.40 3.92 0.00 1.54 1.67 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.42 2.97 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 0.42 0.00 0.00 -0.13 0.00 0.00 114 R 8.36 3.81 0.00 1.86 2.00 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 115 R 7.86 3.82 0.00 2.01 2.03 0.00 3.14 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.58 0.00 116 L 7.76 4.00 0.00 1.90 1.78 0.81 0.74 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 0.00 117 S 8.30 4.28 0.00 4.01 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.26 4.39 0.00 2.94 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 0.00 119 I 7.61 3.79 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.72 1.00 0.00 0.00 120 K 7.97 4.24 0.00 2.11 1.96 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.48 1.59 7.81 121 Q 8.55 4.14 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 122 G 8.13 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.90 3.94 0.00 3.19 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 0.00 124 T 7.78 4.30 4.45 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 1.15 0.00 0.00 125 Q 7.73 4.46 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.63 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 126 H 7.71 4.65 0.00 3.18 3.20 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.77 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 0.00 0.00 0.00 128 G 7.82 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 0.00 0.00 0.00 129 L 6.92 4.68 0.00 1.76 1.62 0.88 0.83 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 0.00 130 R 8.11 4.13 0.00 1.90 1.92 0.00 2.99 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 131 P 0.00 4.56 0.00 2.08 2.09 0.00 3.66 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 2.03 2.12 0.00 132 F 8.45 4.32 0.00 2.88 2.87 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 0.00 133 G 8.92 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 0.00 134 V 7.27 4.87 1.80 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 -0.21 0.00 0.00 0.83 0.00 0.00 135 S 8.46 4.64 0.00 3.81 3.62 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 0.00 136 F 8.79 5.40 0.00 2.45 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 0.00 0.00 0.00 137 I 8.32 4.56 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 1.26 0.88 0.96 0.00 0.00 138 Y 8.97 5.08 0.00 2.75 2.85 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 0.00 139 A 9.26 4.75 1.24 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 0.00 0.00 140 G 8.51 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 0.00 0.00 0.00 0.00 141 Y 8.64 4.95 0.00 2.99 2.79 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 0.00 142 D 7.43 4.63 0.00 2.58 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.44 4.53 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 0.00 144 R 8.26 4.09 0.00 1.66 1.83 0.00 3.23 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00