NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.3380 8.3149 122.1423 54.3197 33.4296 175.3655 5 E 4.2579 8.6266 123.6899 54.4531 30.2642 174.5447 6 S 4.5253 8.4570 117.7175 57.5387 65.1564 172.9469 7 C 4.1043 8.3054 125.1092 57.7271 32.1454 171.4450 8 P 4.6375 0.0000 0.0000 62.9123 31.8992 175.6026 9 S 4.7259 8.7882 115.6002 56.8034 66.2356 173.2469 10 V 5.0571 8.1527 114.1292 60.1662 35.8080 174.3897 11 S 4.6024 8.7186 116.0556 57.6332 66.8949 173.2034 12 I 4.9237 8.4287 121.2533 57.7687 37.2957 173.6123 13 P 4.3938 0.0000 0.0000 64.8147 32.1327 176.4653 14 S 4.7730 7.4999 112.5230 57.8704 66.0542 173.4494 15 S 5.1144 8.4433 113.6790 57.0371 66.2403 172.8448 16 D 4.8721 8.8494 118.9506 52.6104 45.3077 174.1318 17 E 4.9010 8.7322 122.3326 55.2467 31.1241 174.7293 18 H 5.0308 8.6798 123.5654 54.0035 32.3867 172.9482 19 R 4.8427 8.1385 119.4635 54.9265 33.6733 173.5945 20 E 4.6486 8.9787 122.7586 53.8403 33.8766 174.0026 21 K 3.9681 8.7899 120.0229 57.8649 31.6696 175.3425 22 K 3.9160 8.8361 124.9871 56.7336 30.0548 174.7636 23 K 4.6778 8.4615 118.1556 54.7784 35.2926 174.9821 24 R 4.9135 8.3664 123.4951 54.5495 33.8230 174.2873 25 F 5.3300 7.7200 115.2256 56.3852 41.9719 172.7833 26 T 5.0045 8.8936 116.3199 61.8899 70.5738 173.8543 27 V 4.4456 8.6429 127.0224 61.3667 33.9378 174.0031 28 Y 4.5870 9.2397 126.4912 57.0482 39.6058 174.5615 29 K 4.2901 8.9472 125.6197 55.1520 33.7414 175.1004 30 V 4.6650 8.5994 129.1444 61.3623 33.6040 174.3495 31 L 4.8754 9.0248 129.0260 53.5719 43.3602 175.6150 32 V 4.4172 8.0468 124.5366 60.8711 33.9995 174.3485 33 S 4.5400 8.7157 123.8690 56.4592 66.5425 173.2614 34 V 4.1812 8.2429 124.4668 60.5920 33.7712 177.0181 35 G 3.9538 8.6756 119.8609 46.2875 0.0000 174.4634 36 R 4.2036 8.9468 123.7477 56.7254 30.4880 175.8647 37 S 4.8707 7.9251 113.9256 56.7363 66.4362 172.2854 38 E 4.7122 8.3471 121.8214 54.9596 32.8824 173.4562 39 W 4.8719 7.8186 119.7302 55.8235 32.1137 172.7947 40 F 5.4305 8.7691 118.3949 55.8789 40.8306 175.7527 41 V 4.5499 8.7636 121.7267 61.1327 34.9283 174.0074 42 F 5.3328 8.9648 125.5498 55.9252 40.8656 175.2305 43 R 4.9695 9.1038 122.0858 54.6857 34.6552 175.2558 44 R 5.1197 9.5701 122.4404 55.4304 32.0511 176.9422 45 Y 4.1196 9.3907 120.6272 61.3067 38.6228 178.2070 46 A 4.2107 8.4579 120.9069 55.2933 18.5361 179.3671 47 E 4.0667 8.4641 117.2394 59.6470 29.4939 179.4542 48 F 3.9447 8.4767 117.4440 60.5290 38.9038 177.0452 49 D 4.0820 8.0272 117.8482 57.0170 40.8792 178.2183 50 K 3.9635 8.2253 120.2964 59.3129 32.1294 178.6148 51 L 3.9373 7.8414 120.3674 58.2305 41.9683 178.1946 52 Y 4.2329 8.3123 119.8341 61.0449 38.3182 178.0331 53 N 4.0518 8.6123 117.5354 55.9739 38.4961 177.8149 54 S 4.0029 7.8462 116.4925 61.6879 63.0033 176.7136 55 L 4.1919 8.1487 121.7208 57.4432 41.0965 179.4628 56 K 3.8960 7.8501 119.2851 59.1945 32.0686 178.7772 57 K 4.0766 7.2499 118.0643 59.4162 32.0770 179.0869 58 Q 3.9693 7.6351 117.0118 57.2618 30.2529 176.5923 59 F 4.8162 8.2707 118.3562 54.5826 39.6869 173.5523 60 P 4.3202 0.0000 0.0000 65.4516 31.7046 179.2944 61 A 4.2482 7.9014 120.1365 54.2948 18.5973 178.2176 62 M 3.9728 8.0096 114.9153 56.1147 32.6371 176.2193 63 A 3.7894 7.4824 119.2629 52.9161 16.4891 177.3585 64 L 4.3854 7.7639 119.9975 55.0334 42.9034 177.7639 65 K 4.7185 8.6339 119.9063 54.6848 35.7353 175.7175 66 I 4.2643 7.5030 121.8116 57.7814 40.9575 172.9247 67 P 4.3149 0.0000 0.0000 61.9956 31.7918 175.8362 68 A 4.0343 8.2026 121.5917 52.5564 18.7488 177.6604 69 K 3.8227 8.4720 121.0500 56.7829 32.9556 177.0111 70 R 4.3330 7.6167 118.3299 53.9697 31.5428 174.8231 71 I 4.0844 7.5232 117.6203 58.8861 39.7634 175.3723 72 F 4.3628 9.0730 124.3569 58.2631 37.9630 175.8480 73 G 3.5970 7.7394 113.3904 44.2453 0.0000 169.6435 74 D 4.4727 8.1714 122.0845 53.1608 40.7906 177.3520 75 N 3.6619 8.4477 123.6779 53.7743 37.4849 175.4158 76 F 4.6208 8.4852 117.3415 57.2561 39.6400 175.6319 77 D 4.5063 8.1091 122.6170 53.6158 42.0801 175.2365 78 P 4.2865 0.0000 0.0000 66.1585 31.2018 178.4377 79 D 4.3297 8.7287 118.9883 57.0745 40.6529 178.3607 80 F 4.1318 8.2071 120.7126 61.4111 39.4634 177.1131 81 I 3.4298 8.1184 119.6834 64.1275 36.8880 178.3527 82 K 3.9391 8.2638 120.7402 59.5231 32.0216 178.7077 83 Q 3.8910 8.0332 119.9510 58.8935 28.8493 178.0443 84 R 3.5543 7.7298 120.1314 59.1145 29.9349 178.4244 85 R 3.4952 8.2251 118.7259 59.3360 30.1025 178.3643 86 A 4.0257 8.0227 120.6916 55.0725 18.3182 179.9054 87 G 3.4653 8.0777 104.3147 47.8038 0.0000 176.0826 88 L 3.8516 7.9879 121.7307 57.2954 41.4804 179.0272 89 N 4.3949 8.4667 119.8764 57.3674 38.9361 177.3921 90 E 4.0156 8.2835 119.7177 60.9536 29.8447 180.6598 91 F 4.4824 8.2657 121.8828 61.3550 39.6740 177.4014 92 I 3.4438 7.9780 112.5912 63.8023 37.2456 178.1580 93 Q 3.9626 7.9918 119.2930 58.5824 28.7853 177.7055 94 N 4.4234 8.2020 118.2707 56.5486 39.1216 176.8634 95 L 4.0255 7.5363 119.9162 57.9059 41.5462 179.3434 96 V 4.1358 7.4616 110.7602 63.0765 31.5533 178.5860 97 R 4.0677 7.5517 120.4819 58.7631 29.4893 180.8521 98 Y 4.8954 7.2172 115.5226 55.7382 39.8852 174.8723 99 P 2.9700 0.0000 0.0000 65.2642 30.9116 178.0053 100 E 4.0303 7.9252 115.2343 58.0818 29.9232 177.9534 101 L 4.3379 7.3607 119.8328 56.6723 42.4938 177.2800 102 Y 4.5524 7.8148 114.9217 58.1121 38.3803 176.1744 103 N 4.8506 7.6301 117.4726 52.7271 39.7026 174.8523 104 H 4.3835 7.8801 122.4963 55.0754 31.4930 173.7625 105 P 4.2869 0.0000 0.0000 66.5432 30.9431 178.4273 106 D 4.4798 8.3970 117.9627 56.9277 40.7618 178.7732 107 V 3.6848 7.8474 118.4875 66.0555 31.6246 178.1438 108 R 4.0306 8.4988 117.9898 59.2666 29.9838 178.9758 109 A 4.0304 8.2931 120.6613 55.0695 18.1838 179.4378 110 F 4.0564 8.2709 118.3394 60.8680 39.5261 176.3796 111 L 4.4600 8.2014 115.6573 53.3991 42.4809 176.2727 112 Q 3.4313 7.8406 116.9916 57.3604 26.6855 174.6317 113 M 4.5602 8.4937 116.2796 57.2496 32.6816 177.2577 114 D 4.8994 7.6641 118.5105 53.7074 42.4296 175.6026 115 S 4.2639 7.6286 113.7179 56.8704 63.1383 172.9159 116 P 4.2984 0.0000 0.0000 65.1157 31.3491 177.2464 117 R 4.1655 7.5153 116.6778 57.3601 30.2138 176.3289 118 H 4.9019 7.6235 118.1411 56.3266 29.3526 175.0323 119 Q 4.2288 7.9465 122.6906 55.1388 28.8764 177.5181 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 K 8.31 4.34 0.00 1.79 1.68 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 5 E 8.63 4.26 0.00 2.09 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 2.33 2.44 0.00 6 S 8.46 4.53 0.00 3.84 3.73 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 7 C 8.31 4.10 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.64 0.00 1.91 1.83 0.00 2.34 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 9 S 8.79 4.73 0.00 3.74 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 10 V 8.15 5.06 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 0.68 0.00 0.00 0.90 0.00 0.00 11 S 8.72 4.60 0.00 3.86 3.88 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 12 I 8.43 4.92 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.48 1.17 0.00 0.00 13 P 0.00 4.39 0.00 2.21 2.22 0.00 4.14 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 14 S 7.50 4.77 0.00 3.87 3.98 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 0.00 0.00 0.00 15 S 8.44 5.11 0.00 3.42 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 16 D 8.85 4.87 0.00 2.55 2.54 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 17 E 8.73 4.90 0.00 1.97 1.78 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 2.00 2.18 0.00 18 H 8.68 5.03 0.00 2.18 2.93 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.14 4.84 0.00 1.54 1.60 0.00 3.07 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.81 0.00 20 E 8.98 4.65 0.00 2.12 1.86 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 2.31 2.45 0.00 21 K 8.79 3.97 0.00 1.71 1.82 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.52 7.81 22 K 8.84 3.92 0.00 1.91 1.84 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.41 7.81 23 K 8.46 4.68 0.00 1.79 1.73 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.67 1.60 7.81 24 R 8.37 4.91 0.00 0.95 0.84 0.00 2.77 0.00 0.00 2.93 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.25 0.00 25 F 7.72 5.33 0.00 3.31 3.38 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 26 T 8.89 5.00 4.26 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 0.00 0.00 0.00 0.75 0.00 0.00 27 V 8.64 4.45 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 1.29 0.00 0.00 1.08 0.00 0.00 28 Y 9.24 4.59 0.00 3.47 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 29 K 8.95 4.29 0.00 1.79 1.72 0.00 1.34 0.00 0.00 0.61 0.00 0.00 2.47 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.85 0.47 7.81 30 V 8.60 4.66 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.15 0.00 0.00 31 L 9.02 4.88 0.00 1.64 1.47 1.03 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.05 4.42 0.76 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 0.55 0.00 0.00 0.82 0.00 0.00 33 S 8.72 4.54 0.00 3.49 3.47 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 34 V 8.24 4.18 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 1.01 0.00 0.00 0.94 0.00 0.00 35 G 8.68 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 36 R 8.95 4.20 0.00 1.82 1.98 0.00 3.30 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 37 S 7.93 4.87 0.00 4.08 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.35 4.71 0.00 1.67 1.56 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 1.76 2.02 0.00 39 W 7.82 4.87 0.00 3.23 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.77 5.43 0.00 3.06 2.35 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 41 V 8.76 4.55 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 0.88 0.00 0.00 1.20 0.00 0.00 42 F 8.96 5.33 0.00 2.99 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 9.10 4.97 0.00 1.70 1.61 0.00 2.73 0.00 0.00 2.93 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 44 R 9.57 5.12 0.00 1.92 2.11 0.00 3.17 0.00 0.00 2.78 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.69 0.00 45 Y 9.39 4.12 0.00 3.25 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 46 A 8.46 4.21 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.46 4.07 0.00 2.39 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 2.42 2.47 0.00 48 F 8.48 3.94 0.00 2.74 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 49 D 8.03 4.08 0.00 2.27 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 50 K 8.23 3.96 0.00 1.92 2.00 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.48 7.81 51 L 7.84 3.94 0.00 1.63 1.69 0.93 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.31 4.23 0.00 2.31 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 53 N 8.61 4.05 0.00 2.82 2.82 0.00 0.00 7.09 7.45 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 54 S 7.85 4.00 0.00 4.00 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 55 L 8.15 4.19 0.00 1.76 1.83 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.85 3.90 0.00 1.21 1.44 0.00 1.15 0.00 0.00 1.43 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.35 7.81 57 K 7.25 4.08 0.00 1.69 1.78 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.56 7.81 58 Q 7.64 3.97 0.00 1.84 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.22 0.00 0.00 0.00 0.00 0.00 2.26 2.51 0.00 59 F 8.27 4.82 0.00 2.96 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 60 P 0.00 4.32 0.00 2.20 2.28 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 61 A 7.90 4.25 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 62 M 8.01 3.97 0.00 2.00 2.28 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.26 0.00 63 A 7.48 3.79 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 64 L 7.76 4.39 0.00 1.86 2.05 1.05 1.00 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 65 K 8.63 4.72 0.00 1.73 1.65 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.61 7.81 66 I 7.50 4.26 0.56 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.22 -0.32 0.00 0.00 67 P 0.00 4.31 0.00 2.07 1.92 0.00 3.58 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 68 A 8.20 4.03 1.28 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 0.00 0.00 69 K 8.47 3.82 0.00 1.87 1.85 0.00 1.80 0.00 0.00 2.34 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.53 7.81 70 R 7.62 4.33 0.00 1.60 1.59 0.00 2.21 0.00 0.00 2.76 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.71 0.00 71 I 7.52 4.08 1.35 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 0.81 0.44 0.50 0.00 0.00 72 F 9.07 4.36 0.00 3.09 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.74 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.17 4.47 0.00 2.71 2.54 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 75 N 8.45 3.66 0.00 2.44 2.40 0.00 0.00 6.16 7.43 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 76 F 8.49 4.62 0.00 3.13 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 77 D 8.11 4.51 0.00 2.85 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 78 P 0.00 4.29 0.00 2.33 2.34 0.00 3.81 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 79 D 8.73 4.33 0.00 2.91 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 80 F 8.21 4.13 0.00 3.04 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 81 I 8.12 3.43 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.79 0.95 0.00 0.00 82 K 8.26 3.94 0.00 1.88 1.78 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 83 Q 8.03 3.89 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 84 R 7.73 3.55 0.00 1.04 1.62 0.00 2.94 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.34 0.00 85 R 8.23 3.50 0.00 2.13 2.06 0.00 3.44 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 86 A 8.02 4.03 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 87 G 8.08 3.47 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 0.00 88 L 7.99 3.85 0.00 1.19 0.71 -0.59 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.47 4.39 0.00 2.81 2.97 0.00 0.00 7.30 8.45 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 90 E 8.28 4.02 0.00 2.03 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 2.24 2.19 0.00 91 F 8.27 4.48 0.00 3.18 3.25 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 0.00 92 I 7.98 3.44 1.89 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.48 1.08 0.00 0.00 93 Q 7.99 3.96 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 94 N 8.20 4.42 0.00 2.94 2.96 0.00 0.00 7.16 6.03 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 95 L 7.54 4.03 0.00 1.73 1.59 0.37 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.46 4.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.96 0.00 0.00 97 R 7.55 4.07 0.00 1.91 1.84 0.00 3.22 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 98 Y 7.22 4.90 0.00 2.96 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 99 P 0.00 2.97 0.00 1.98 1.92 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 100 E 7.93 4.03 0.00 2.15 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 0.00 2.06 2.10 0.00 101 L 7.36 4.34 0.00 1.95 1.65 0.78 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.81 4.55 0.00 3.02 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 7.63 4.85 0.00 2.78 2.89 0.00 0.00 6.88 8.21 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 0.00 104 H 7.88 4.38 0.00 3.52 3.34 0.00 5.80 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.29 0.00 2.33 2.32 0.00 3.54 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 2.01 2.03 0.00 106 D 8.40 4.48 0.00 2.78 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 0.00 107 V 7.85 3.68 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 1.23 0.00 0.00 0.92 0.00 0.00 108 R 8.50 4.03 0.00 1.96 2.17 0.00 3.27 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 109 A 8.29 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 0.00 110 F 8.27 4.06 0.00 3.14 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 0.00 111 L 8.20 4.46 0.00 1.83 1.84 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.84 3.43 0.00 2.36 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 113 M 8.49 4.56 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.81 0.00 114 D 7.66 4.90 0.00 2.60 2.59 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 0.00 115 S 7.63 4.26 0.00 3.52 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.30 0.00 2.15 2.10 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 117 R 7.52 4.17 0.00 1.61 1.92 0.00 3.08 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 118 H 7.62 4.90 0.00 2.53 2.60 0.00 5.59 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 7.95 4.23 0.00 2.02 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.65 0.00 0.00 0.00 0.00 0.00 2.15 1.87 0.00