NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3516 8.2493 123.5816 50.7836 21.0752 176.4135 2 K 4.2386 7.5362 112.5049 54.9818 35.3346 174.6118 3 K 4.3325 8.2265 123.5203 55.7915 34.7474 176.3222 4 V 4.4864 7.9382 122.4234 59.3369 34.3665 174.7006 5 Q 3.7589 8.3070 119.6343 56.0249 29.4721 176.2108 6 A 3.8448 9.0721 121.1899 53.9498 18.9935 177.1821 7 Y 3.4290 8.1466 121.6782 58.4362 36.5347 169.8394 8 V 4.2371 7.8973 117.1240 59.8685 34.2351 174.8684 9 K 4.9126 8.1357 120.4578 54.8890 35.8525 175.8003 10 L 4.4346 8.7069 122.5417 54.9714 44.2612 174.4512 11 Q 4.8334 8.7093 120.4176 54.4979 29.2315 174.9852 12 V 4.5289 7.9648 123.3523 59.0981 34.5424 175.2972 13 A 3.8118 8.7916 123.9319 52.4475 18.5581 176.4488 14 A 3.8732 8.3689 118.6258 53.4063 19.1025 179.2587 15 G 3.9429 7.3131 107.5190 41.0000 0.0000 172.0361 16 M 4.1155 7.5666 115.2824 55.4821 35.3472 173.5251 17 A 4.2546 8.5468 126.7535 52.1998 21.8217 174.2470 18 N 4.6188 9.4034 116.6937 53.4725 37.8629 173.2560 19 P 4.2630 0.0000 0.0000 62.8919 31.9633 176.6869 20 S 4.0154 8.6509 117.1238 61.1824 62.7448 173.5405 21 P 4.3869 0.0000 0.0000 65.3672 31.3030 176.1796 22 P 4.4452 0.0000 0.0000 65.2873 32.9407 177.2977 23 V 4.2030 7.6012 113.4814 61.4484 32.4442 181.1262 24 G 3.8477 9.3816 108.7979 45.2810 0.0000 172.9898 25 P 4.0904 0.0000 0.0000 66.0241 31.0391 175.9122 26 A 3.8148 7.7715 117.7121 55.4044 18.4252 178.8130 27 L 4.2227 7.5357 115.7055 56.6417 41.3612 178.9369 28 G 3.6169 8.0897 107.6788 47.8751 0.0000 175.6705 29 Q 3.9583 7.5454 119.2871 59.1254 28.8547 178.6157 30 Q 4.1342 7.4997 117.3659 57.5414 28.6284 177.5973 31 G 4.1354 7.3288 107.8917 45.4497 0.0000 174.0139 32 V 3.4030 7.3292 118.0986 62.1178 32.2702 176.5765 33 N 4.7022 8.1326 122.7934 52.0976 38.2438 175.8984 34 I 3.5610 8.2364 125.2431 64.8966 37.4344 176.9750 35 M 3.9346 8.0995 117.6853 59.0887 32.0676 177.7647 36 E 3.9959 8.4154 118.4037 59.5935 29.6599 178.4864 37 F 4.3675 8.5557 120.2520 61.4630 39.3812 176.1311 38 C 3.9742 8.3760 118.5763 62.8608 31.3872 176.0483 39 K 3.9705 8.0202 118.9337 59.1353 31.7422 179.2461 40 A 4.0846 8.4592 121.5243 55.6645 18.3904 178.9605 41 F 4.3680 8.7445 120.3185 61.4983 39.0719 176.7480 42 N 4.6329 8.5187 117.1320 54.8897 38.6017 177.3725 43 A 4.0582 7.6096 122.2310 55.2889 18.6724 179.7699 44 K 4.1035 7.6173 116.0096 59.0134 32.2584 179.5286 45 T 3.7907 7.5661 109.9264 63.9778 68.1897 176.2987 46 D 4.2614 7.2763 120.5786 57.5098 40.9267 177.8694 47 S 4.1776 7.7986 113.8011 61.4411 63.1136 174.9588 48 I 3.8310 7.1638 117.9980 60.0302 38.0235 174.8447 49 E 3.8500 8.7641 123.0796 56.8999 29.4469 177.1299 50 K 4.2569 8.4925 123.6443 57.1571 32.9358 177.7590 51 G 3.9499 8.9875 110.7028 45.0414 0.0000 172.7601 52 L 4.7822 7.2009 120.5928 51.8560 44.0089 173.8864 53 P 4.5439 0.0000 0.0000 63.2979 31.7609 175.3333 54 I 4.6110 7.9797 124.9224 58.1955 39.7153 173.1339 55 P 4.8095 0.0000 0.0000 62.6390 32.6330 175.3676 56 V 4.6921 8.8733 124.7503 59.6622 34.8500 174.8046 57 V 4.5269 8.0723 122.6771 61.3950 33.5542 174.1933 58 I 4.6953 7.9366 129.5130 60.1840 39.2991 174.8574 59 T 4.4639 8.6785 121.2675 60.2503 69.5968 173.1085 60 V 4.2174 8.2304 128.5064 61.8617 33.1257 174.3701 61 Y 4.8954 7.8594 122.5935 55.8131 40.4494 176.6713 62 A 4.2626 8.6813 122.7292 55.4962 18.5124 178.3750 63 D 4.4374 8.2005 114.2049 55.3285 41.4249 177.8051 64 R 4.1380 8.4501 116.3370 56.9858 29.1691 176.1584 65 S 4.7058 7.8012 113.5720 58.3097 63.5590 171.7567 66 F 5.0617 7.7056 114.3982 56.4487 39.8421 173.1739 67 T 5.0822 8.4287 108.9705 60.2568 72.4719 172.6138 68 F 5.7668 8.1765 115.9102 55.3922 41.3643 173.8947 69 V 4.2985 8.5050 114.3796 59.9192 33.8312 174.6938 70 T 4.5027 8.6529 121.6560 61.5203 67.4408 173.9798 71 K 4.5692 8.1143 134.1151 56.4366 32.8271 175.7440 72 T 4.6161 8.0794 118.0244 60.1460 69.1878 173.4477 73 P 4.4985 0.0000 0.0000 62.2510 31.9279 174.8327 74 P 4.3179 0.0000 0.0000 63.1256 33.1385 177.5335 75 A 3.9906 8.6016 122.0484 55.1127 18.4244 180.0246 76 A 3.9210 7.9770 118.8675 55.3545 18.5221 179.8470 77 V 3.5027 7.7201 116.0303 66.2798 31.7638 177.8994 78 L 4.0156 8.0536 118.6918 58.0070 41.4011 179.6745 79 L 4.0589 8.2977 119.0970 57.5356 41.4512 179.6103 80 K 3.9931 7.9543 118.5301 59.2963 31.9378 179.5269 81 K 3.9235 8.0560 118.3582 59.4573 31.8445 179.0556 82 A 3.9687 7.8012 119.2921 55.4212 18.4014 179.3011 83 A 4.3084 8.3689 117.6501 52.8945 18.4964 178.5714 84 G 3.7899 7.8836 105.0944 46.0483 0.0000 173.5612 85 I 4.3436 7.6794 113.1607 59.2634 39.6056 175.3566 86 K 4.2979 8.4765 118.6657 57.3281 33.2304 176.1454 87 S 4.7863 7.5929 110.2269 55.9187 66.4802 174.8612 88 G 4.0603 8.4177 113.2451 45.5459 0.0000 174.3309 89 S 4.5174 8.1288 113.5306 57.2137 64.0401 175.4000 90 G 4.0556 8.3102 113.7793 45.8778 0.0000 174.7573 91 K 4.5251 7.2327 119.7607 52.3166 31.9348 173.8454 92 P 4.5722 0.0000 0.0000 63.1852 32.5206 175.9759 93 N 4.8641 8.9426 121.2365 54.0643 37.4329 176.2016 94 K 4.0363 7.7941 117.6092 58.6298 32.4218 176.3831 95 D 4.7760 7.7983 116.8650 51.9106 43.4486 174.4405 96 K 5.0589 8.5592 125.5287 55.8044 33.7343 176.8618 97 V 4.1339 8.3055 115.5615 62.3577 33.2671 175.3353 98 G 4.3059 7.6352 106.3304 45.3570 0.0000 171.8071 99 K 5.3278 8.3921 117.7023 55.3646 36.0154 175.9341 100 I 4.9408 8.9542 121.9636 59.5310 41.7713 175.3493 101 S 5.1455 9.0762 120.8723 57.4728 63.4617 175.5880 102 R 3.9553 8.6827 121.0104 59.3509 29.7782 179.3021 103 A 4.2722 7.8093 121.6577 54.6382 18.4915 179.4118 104 Q 4.1929 7.8655 117.6117 58.6602 28.8408 178.9771 105 L 4.0478 7.9805 119.3747 58.1366 41.7037 179.5556 106 Q 4.1228 7.8554 117.3556 58.8933 28.0593 178.7037 107 E 4.0940 7.9983 119.2860 59.5026 29.4422 179.4655 108 I 3.7954 8.3197 120.1251 64.2082 37.2049 178.3822 109 A 3.9866 8.5414 122.0835 54.9525 17.9300 179.4122 110 Q 3.9910 7.8652 117.6134 59.2782 29.1565 178.0829 111 T 4.1015 7.5334 116.1894 66.3410 68.8751 176.6227 112 K 4.1865 8.5615 119.2500 57.6803 32.0736 178.9636 113 A 3.9430 7.7409 121.9217 55.4013 18.0226 179.3237 114 A 3.9647 8.0287 117.2083 55.0778 18.5778 178.5636 115 D 4.6336 8.1698 114.5363 54.0636 41.8656 176.6534 116 M 4.4774 6.9393 119.4641 54.3809 33.2975 176.2460 117 T 4.1424 8.4508 115.2099 62.4737 68.0889 175.0172 118 G 3.8581 8.1052 108.6380 46.5699 0.0000 173.3060 119 A 4.1023 8.8328 128.1500 54.3469 19.0724 177.1550 120 D 5.0736 7.6299 114.0136 50.7395 43.8941 176.6286 121 I 3.7198 8.2080 113.3658 64.1716 37.2931 177.9558 122 E 3.9121 8.2599 119.5124 59.1497 29.2848 178.8819 123 A 3.9864 8.9606 120.8431 55.6111 18.3759 179.5309 124 M 3.9938 7.8904 116.6587 58.8878 32.0787 179.1559 125 T 3.8775 8.3036 116.2138 66.7348 68.6114 176.7149 126 R 4.1468 8.0927 121.9131 58.9092 29.7509 178.4416 127 S 4.1261 8.3493 115.3140 61.9138 62.7320 176.8057 128 I 4.0760 7.6284 122.2418 63.9853 36.6266 178.1200 129 E 4.0555 8.1601 119.7022 59.4085 29.0259 179.6400 130 G 3.6404 8.1573 105.2196 47.6007 0.0000 175.5528 131 T 4.1178 7.4008 112.3093 64.3776 68.8970 176.9675 132 A 3.9950 8.2145 123.8960 55.1437 18.2923 179.8908 133 R 3.8792 8.0665 115.0966 58.9124 30.1505 178.6975 134 S 4.4482 7.5655 113.3968 59.7944 62.1270 175.0908 135 M 4.4780 8.2423 120.9242 54.2709 32.2805 176.8685 136 G 3.6859 7.9581 107.4555 46.0377 0.0000 172.5080 137 L 4.8338 7.7249 119.5523 52.6302 42.8839 176.8450 138 V 3.9279 8.3539 124.5688 62.6407 33.2289 175.0365 139 V 5.5494 8.4390 123.9025 60.1638 34.1414 174.1726 140 E 4.5727 8.6654 126.5597 54.5155 31.6804 175.7516 141 D 4.4587 8.6560 122.9310 54.3659 41.3817 175.5468 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 A 8.25 4.35 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 2 K 7.54 4.24 0.00 1.90 1.75 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.45 7.81 3 K 8.23 4.33 0.00 1.70 1.76 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.48 7.81 4 V 7.94 4.49 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 0.75 0.00 0.00 0.93 0.00 0.00 5 Q 8.31 3.76 0.00 2.45 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 6 A 9.07 3.84 1.41 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 0.00 0.00 7 Y 8.15 3.43 0.00 3.07 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 8 V 7.90 4.24 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 0.59 0.00 0.00 0.68 0.00 0.00 9 K 8.14 4.91 0.00 1.56 1.63 0.00 1.98 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.45 7.81 10 L 8.71 4.43 0.00 1.65 1.61 0.78 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.71 4.83 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 12 V 7.96 4.53 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 0.28 0.00 0.00 0.94 0.00 0.00 13 A 8.79 3.81 1.30 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 0.00 0.00 14 A 8.37 3.87 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 15 G 7.31 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 16 M 7.57 4.12 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 17 A 8.55 4.25 1.14 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 0.00 0.00 18 N 9.40 4.62 0.00 2.75 3.26 0.00 0.00 6.96 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.26 0.00 2.20 1.98 0.00 3.65 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 2.12 2.10 0.00 20 S 8.65 4.02 0.00 3.81 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 21 P 0.00 4.39 0.00 2.07 2.09 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 22 P 0.00 4.45 0.00 2.02 2.09 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 23 V 7.60 4.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.92 0.00 0.00 24 G 9.38 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 0.00 0.00 0.00 25 P 0.00 4.09 0.00 2.13 2.12 0.00 3.97 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 26 A 7.77 3.81 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 27 L 7.54 4.22 0.00 1.54 1.63 0.27 0.27 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 28 G 8.09 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 29 Q 7.55 3.96 0.00 1.93 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.69 0.00 30 Q 7.50 4.13 0.00 1.93 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.39 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 31 G 7.33 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 0.00 0.00 0.00 0.00 32 V 7.33 3.40 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 -0.65 0.00 0.00 0.58 0.00 0.00 33 N 8.13 4.70 0.00 3.17 2.91 0.00 0.00 6.89 7.35 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 34 I 8.24 3.56 1.88 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 1.49 0.95 0.93 0.00 0.00 35 M 8.10 3.93 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.73 0.00 36 E 8.42 4.00 0.00 2.22 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 2.46 2.44 0.00 37 F 8.56 4.37 0.00 3.41 3.21 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 38 C 8.38 3.97 0.00 3.10 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 39 K 8.02 3.97 0.00 1.87 1.85 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.61 7.81 40 A 8.46 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.74 4.37 0.00 1.51 2.38 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 42 N 8.52 4.63 0.00 2.76 2.80 0.00 0.00 6.56 8.86 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 43 A 7.61 4.06 1.41 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 0.00 0.00 44 K 7.62 4.10 0.00 1.89 1.80 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.42 7.81 45 T 7.57 3.79 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 -0.11 0.00 0.00 46 D 7.28 4.26 0.00 2.78 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 47 S 7.80 4.18 0.00 3.94 3.89 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 48 I 7.16 3.83 1.82 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 1.29 0.74 0.89 0.00 0.00 49 E 8.76 3.85 0.00 2.03 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 2.41 2.32 0.00 50 K 8.49 4.26 0.00 1.73 1.71 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.48 7.81 51 G 8.99 3.95 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 0.00 0.00 0.00 52 L 7.20 4.78 0.00 1.52 1.60 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.54 0.00 2.11 2.13 0.00 3.74 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 2.01 1.99 0.00 54 I 7.98 4.61 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.31 1.18 0.00 0.00 55 P 0.00 4.81 0.00 2.19 2.21 0.00 3.84 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 56 V 8.87 4.69 2.42 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 0.56 0.00 0.00 1.35 0.00 0.00 57 V 8.07 4.53 2.01 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 0.53 0.00 0.00 0.95 0.00 0.00 58 I 7.94 4.70 1.43 0.00 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.05 0.64 0.00 0.00 59 T 8.68 4.46 4.08 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 1.24 0.00 0.00 60 V 8.23 4.22 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 0.93 0.00 0.00 0.70 0.00 0.00 61 Y 7.86 4.90 0.00 3.14 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 62 A 8.68 4.26 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 63 D 8.20 4.44 0.00 2.77 2.83 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 R 8.45 4.14 0.00 2.05 2.16 0.00 3.25 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 65 S 7.80 4.71 0.00 4.16 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 66 F 7.71 5.06 0.00 2.99 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 67 T 8.43 5.08 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 1.40 0.00 0.00 68 F 8.18 5.77 0.00 3.17 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 69 V 8.51 4.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.00 0.00 0.00 70 T 8.65 4.50 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 1.25 0.00 0.00 71 K 8.11 4.57 0.00 1.91 2.11 0.00 1.95 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.59 7.81 72 T 8.08 4.62 4.27 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 1.30 0.00 0.00 73 P 0.00 4.50 0.00 2.24 2.17 0.00 3.88 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 74 P 0.00 4.32 0.00 2.19 2.06 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 75 A 8.60 3.99 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 76 A 7.98 3.92 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 77 V 7.72 3.50 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 1.08 0.00 0.00 0.95 0.00 0.00 78 L 8.05 4.02 0.00 1.90 1.72 0.98 0.52 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 79 L 8.30 4.06 0.00 1.86 1.72 0.93 1.21 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 80 K 7.95 3.99 0.00 2.04 2.03 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.73 7.81 81 K 8.06 3.92 0.00 1.97 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.69 7.81 82 A 7.80 3.97 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 83 A 8.37 4.31 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 84 G 7.88 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 85 I 7.68 4.34 1.87 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 1.43 0.71 0.95 0.00 0.00 86 K 8.48 4.30 0.00 1.75 1.88 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.40 7.81 87 S 7.59 4.79 0.00 3.76 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.42 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.13 4.52 0.00 4.10 4.05 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 90 G 8.31 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.23 4.53 0.00 1.83 1.72 0.00 1.59 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.47 7.81 92 P 0.00 4.57 0.00 2.03 2.09 0.00 3.80 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 93 N 8.94 4.86 0.00 2.90 3.02 0.00 0.00 6.92 7.61 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 94 K 7.79 4.04 0.00 1.67 2.03 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.37 7.81 95 D 7.80 4.78 0.00 2.60 2.49 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 96 K 8.56 5.06 0.00 1.97 1.80 0.00 1.22 0.00 0.00 2.36 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.41 7.81 97 V 8.31 4.13 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 0.73 0.00 0.00 0.97 0.00 0.00 98 G 7.64 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 0.00 0.00 0.00 0.00 99 K 8.39 5.33 0.00 1.90 1.73 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.44 7.81 100 I 8.95 4.94 1.87 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 1.29 0.81 0.95 0.00 0.00 101 S 9.08 5.15 0.00 4.01 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 0.00 102 R 8.68 3.96 0.00 1.89 2.04 0.00 3.29 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 103 A 7.81 4.27 1.31 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 0.00 104 Q 7.87 4.19 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 105 L 7.98 4.05 0.00 1.84 1.73 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.86 4.12 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 107 E 8.00 4.09 0.00 2.23 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 2.33 2.63 0.00 108 I 8.32 3.80 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 1.46 0.96 0.92 0.00 0.00 109 A 8.54 3.99 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 0.00 110 Q 7.87 3.99 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 111 T 7.53 4.10 4.39 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 1.22 0.00 0.00 112 K 8.56 4.19 0.00 1.76 1.86 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.61 7.81 113 A 7.74 3.94 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 0.00 114 A 8.03 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 0.00 115 D 8.17 4.63 0.00 2.66 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 0.00 116 M 6.94 4.48 0.00 1.96 1.99 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 2.79 2.47 0.00 117 T 8.45 4.14 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 118 G 8.11 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.83 4.10 1.29 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 0.00 0.00 120 D 7.63 5.07 0.00 3.00 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 0.00 121 I 8.21 3.72 1.87 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 1.64 1.43 0.91 0.00 0.00 122 E 8.26 3.91 0.00 2.32 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 2.40 2.45 0.00 123 A 8.96 3.99 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 0.00 124 M 7.89 3.99 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 125 T 8.30 3.88 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 126 R 8.09 4.15 0.00 2.02 2.03 0.00 3.16 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 127 S 8.35 4.13 0.00 4.09 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 0.00 128 I 7.63 4.08 2.01 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 1.53 0.88 0.92 0.00 0.00 129 E 8.16 4.06 0.00 2.23 2.01 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 2.33 2.58 0.00 130 G 8.16 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 0.00 131 T 7.40 4.12 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 132 A 8.21 4.00 1.41 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 0.00 0.00 133 R 8.07 3.88 0.00 1.79 2.02 0.00 3.16 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.96 0.00 134 S 7.57 4.45 0.00 3.99 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 0.00 135 M 8.24 4.48 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.53 0.00 136 G 7.96 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 7.72 4.83 0.00 1.63 1.63 0.93 0.98 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 0.00 138 V 8.35 3.93 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 0.82 0.00 0.00 0.93 0.00 0.00 139 V 8.44 5.55 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 1.00 0.00 0.00 0.96 0.00 0.00 140 E 8.67 4.57 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 141 D 8.66 4.46 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00