NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1273 8.0549 114.0562 61.1194 33.0365 174.6392 2 L 4.2294 8.1577 122.7964 51.8829 42.8676 176.0212 3 S 4.5229 8.9033 118.2025 57.6647 66.2721 174.8145 4 E 4.2447 8.8609 122.4613 59.5712 29.3691 179.0511 5 G 3.6579 8.1023 105.2294 47.9022 0.0000 175.4096 6 E 3.9807 7.9742 120.6550 58.8844 29.3511 179.4731 7 W 4.3360 8.3141 119.1616 59.7032 29.0129 178.2972 8 Q 4.0861 8.4836 119.6424 59.3082 28.1832 178.3820 9 L 4.0658 7.8883 119.5105 57.6890 41.6716 179.7720 10 V 3.7695 7.8356 117.8147 66.2629 31.6325 178.2520 11 L 4.2442 8.5574 119.1369 57.8220 40.9422 178.9756 12 H 4.2225 8.7876 119.0900 59.3957 29.8166 177.7788 13 V 3.4261 7.7493 120.4459 64.2911 31.3495 178.1084 14 W 3.9321 8.3087 128.8574 59.9568 30.2611 177.8352 15 A 4.0277 7.9612 120.4175 54.9960 18.1225 179.4427 16 K 3.9604 7.3749 116.8420 59.4145 32.0477 179.7715 17 V 2.9253 7.0101 118.2727 65.5266 31.0639 177.3728 18 E 3.9869 7.4504 115.5977 57.5221 29.3672 178.0026 19 A 4.2758 7.3497 120.0276 53.0019 19.9888 177.5694 20 D 4.6314 7.6914 115.1770 52.2690 43.4035 175.7062 21 V 3.4893 7.7559 123.3428 65.7556 32.0528 176.8051 22 A 4.0646 7.9522 120.1402 55.0170 18.3054 179.7104 23 G 3.5344 7.9712 105.0913 47.7182 0.0000 175.7327 24 H 4.1286 8.1958 119.1161 58.4191 28.6990 178.1397 25 G 3.5894 8.4388 107.9875 47.7110 0.0000 175.5546 26 Q 3.8034 8.1579 121.8748 59.1239 29.0930 177.9753 27 D 4.2962 7.9182 119.8996 57.3366 40.7982 178.9847 28 I 3.6240 7.6780 120.2555 64.3805 37.0950 178.5492 29 L 3.4544 7.4519 119.3683 57.4581 41.2187 179.6535 30 I 3.5515 7.4398 119.7686 64.1645 36.9958 178.2797 31 R 3.7797 7.9446 119.6661 59.3469 29.8658 178.2292 32 L 3.9339 7.7357 119.8386 58.3459 41.7433 178.9862 33 F 4.5886 8.1530 118.0921 60.4960 38.5447 177.9727 34 K 4.0182 8.2075 117.6552 59.6895 32.0571 179.4350 35 S 4.2827 7.9951 114.1229 60.3022 64.0369 174.3923 36 H 4.6881 8.1061 118.5305 51.7309 29.2502 171.6302 37 P 4.4596 0.0000 0.0000 64.6768 31.1777 177.4433 38 E 4.1246 8.2160 115.8565 59.3144 29.2956 179.1299 39 T 3.8855 8.1019 111.3154 64.4737 68.8875 176.4479 40 L 3.6421 7.8849 122.8248 57.6436 41.7717 178.4453 41 E 4.0763 7.7268 117.1661 58.7164 29.6138 178.4398 42 K 4.4152 7.9287 117.3752 57.3439 32.8374 177.4989 43 F 4.6168 7.9876 119.0124 55.6808 38.6351 175.8307 44 D 4.4156 8.4779 124.9601 57.0987 41.1264 179.4164 45 R 3.4810 7.9236 118.2679 58.3986 30.2925 176.7849 46 F 5.0804 7.7181 113.5987 56.8407 39.9267 176.9167 47 K 3.9224 7.7286 122.2302 59.8159 31.9350 178.1598 48 H 4.3485 8.2990 112.8163 57.7735 28.7949 175.7094 49 L 4.0368 7.5028 121.2960 54.6996 41.7638 176.4359 50 K 4.3495 9.5249 123.6031 57.2034 34.1326 177.1738 51 T 4.6031 7.5270 107.8651 59.6835 72.4205 174.8936 52 E 3.9146 8.5274 121.3755 59.2297 29.7698 178.6832 53 A 3.9612 7.9222 120.4541 55.2693 18.3174 179.2802 54 E 3.9495 8.0617 115.9053 59.7868 29.3478 179.2706 55 M 4.1848 7.9474 118.8081 58.3514 31.8265 178.9990 56 K 3.9949 8.2218 117.5968 58.8712 32.2871 178.6552 57 A 4.3325 7.6968 119.2279 52.2814 18.8454 177.1841 58 S 4.3147 7.3544 113.3875 57.5419 62.9179 174.5139 59 E 4.0179 8.8550 128.9350 59.2486 29.5166 177.9863 60 D 4.4079 8.1566 117.8568 57.0420 41.3707 177.8702 61 L 3.4716 7.9449 120.7480 57.8205 42.0178 178.8026 62 K 3.8788 7.8168 119.4000 59.2733 32.0288 178.6652 63 K 3.9575 8.3739 120.1964 59.8621 32.1964 178.3564 64 H 4.4355 8.5751 118.6949 59.1472 29.7583 177.4162 65 G 3.5827 8.1347 107.7827 47.7012 0.0000 175.8867 66 V 3.6333 7.5862 120.1801 66.0559 31.5689 178.3239 67 T 3.9151 7.7022 115.2387 66.5133 68.2709 176.8872 68 V 3.6156 7.8468 120.0980 66.1261 31.6528 178.1895 69 L 4.2709 8.0040 119.0703 57.9817 41.4571 179.6097 70 T 4.1387 8.2485 109.7334 64.7146 68.5517 176.6377 71 A 4.0255 7.9858 123.2600 54.8251 18.3402 179.4040 72 L 3.8060 8.0993 119.1578 57.9567 42.0980 179.3532 73 G 3.4036 8.7693 106.0099 47.7033 0.0000 175.5107 74 A 4.0277 7.8193 122.1979 54.7975 18.6407 179.6694 75 I 3.8082 7.3078 118.2975 64.5898 37.2857 178.5324 76 L 3.9975 7.7537 119.9359 57.7966 41.2218 179.5726 77 K 4.0304 7.6717 116.3465 58.1182 32.2962 178.5221 78 K 4.0029 7.9605 118.3646 55.7412 32.9091 176.3723 79 K 2.0000 8.1998 118.7263 56.4066 29.8850 174.2172 80 G 4.0343 7.9484 105.7195 45.9020 0.0000 173.6894 81 H 4.5297 7.4824 118.5472 55.2005 27.4896 175.4409 82 H 5.1295 7.2053 113.4156 54.6650 29.5563 175.7324 83 E 3.9174 8.3199 123.1819 60.4379 29.0682 178.8876 84 A 4.0871 7.9769 118.1170 54.7128 17.5730 178.6004 85 E 4.2313 8.1035 116.5746 58.6043 29.9339 178.4046 86 L 4.2105 8.3037 120.8997 57.4904 42.2092 178.5085 87 K 3.8439 7.9781 119.6924 59.3447 32.2406 176.8466 88 P 4.2768 0.0000 0.0000 65.4851 31.2706 178.3712 89 L 4.0435 7.5141 116.1370 58.1494 42.0416 178.9371 90 A 4.1648 8.3104 120.9457 55.1030 18.2812 179.6568 91 Q 3.8036 8.1872 116.8304 59.1496 28.8508 179.2374 92 S 3.9914 7.9279 114.9526 61.8472 63.0544 176.2072 93 H 4.3669 8.4149 119.5042 57.8277 27.3565 177.6559 94 A 3.0564 7.5819 123.0725 54.7074 18.2183 179.5839 95 T 3.8423 7.0966 107.8155 62.6386 69.2719 175.7260 96 K 4.1146 7.4305 120.7780 58.4415 32.9523 177.0476 97 H 4.3563 8.0847 114.0359 56.0085 29.2997 175.3379 98 K 3.7548 6.9564 114.5437 57.2924 29.4453 176.7173 99 I 4.1980 8.3036 120.2607 59.0664 37.6540 174.9937 100 P 4.4999 0.0000 0.0000 62.2147 32.1483 177.3047 101 I 3.3850 8.4815 121.1424 64.7274 37.4568 178.1098 102 K 3.6221 7.9794 120.1595 59.8341 31.8173 178.2401 103 Y 4.1619 7.8662 116.7602 60.8564 37.8091 178.3625 104 L 4.2031 7.9129 120.2284 57.4853 41.7176 179.0441 105 E 4.0129 7.8610 119.1462 59.0402 29.6543 178.5885 106 F 4.5204 7.8392 117.9578 60.8700 39.0848 177.5847 107 I 3.8874 8.1436 117.8598 63.8600 37.7018 178.1402 108 S 4.2186 8.0101 116.0557 61.6443 62.6393 176.3713 109 E 4.0847 8.3823 121.0337 59.2698 29.1985 179.2669 110 A 4.0261 8.1333 120.9821 55.1259 18.3562 179.7899 111 I 3.6949 7.9542 118.3257 64.5914 37.1994 178.7437 112 I 3.7802 7.8665 120.6757 64.6309 36.9977 177.9513 113 H 4.1196 8.4587 119.1370 59.3177 29.7271 177.5297 114 V 3.5485 7.9077 119.9975 65.9949 31.4761 178.0029 115 L 3.8163 7.9675 118.9196 57.8538 41.0080 179.0516 116 H 4.3848 7.8625 117.6457 59.2324 29.9027 177.0096 117 S 4.1544 7.8127 114.1360 61.0398 62.3381 175.6607 118 R 4.1834 7.7709 118.6916 56.8524 31.7826 176.5001 119 H 4.9471 7.8399 115.1895 53.4730 29.5992 172.0442 120 P 4.2087 0.0000 0.0000 65.5688 31.9705 178.9105 121 G 3.7314 8.1822 105.5311 48.1071 0.0000 173.7717 122 D 4.7638 8.1022 116.6346 54.1676 42.1332 176.3117 123 F 4.8778 7.9411 121.5430 56.5671 38.8253 174.4736 124 G 3.9161 7.4694 110.7656 43.4681 0.0000 171.1241 125 A 3.8925 8.4217 120.8522 55.2124 18.3179 179.5837 126 D 4.2137 7.9272 116.9351 56.5760 39.5984 178.5700 127 A 3.9412 7.6947 121.7482 54.5443 18.4516 179.2348 128 Q 3.2811 7.8151 118.6931 59.0405 29.0741 178.7465 129 G 3.5234 8.0333 106.5433 47.6265 0.0000 175.5779 130 A 3.8529 7.7895 122.8517 55.1003 18.4206 179.4480 131 M 4.0165 8.1929 116.8149 58.6707 32.2867 177.9432 132 N 4.3447 8.2989 117.2944 56.6742 39.0568 177.0389 133 K 3.8960 8.0146 119.6901 59.3537 32.0913 179.2171 134 A 3.8040 7.8344 121.0920 55.0848 18.1944 179.6972 135 L 4.1105 8.0822 117.4829 57.7122 41.6301 179.5191 136 E 3.9866 8.3672 118.9835 59.1666 29.4044 179.0070 137 L 3.9680 8.2849 120.7979 57.9872 42.2913 178.6605 138 F 4.1643 8.2567 120.5720 61.6358 39.2656 177.4052 139 R 3.6034 8.2664 117.6449 58.7637 29.9201 178.9772 140 K 3.8267 8.3224 119.8445 59.7639 31.7381 178.7000 141 D 4.3725 8.0841 119.0518 57.2837 40.6038 178.9346 142 I 3.5803 7.3864 119.8116 64.1544 36.9701 178.2222 143 A 3.6807 7.9799 121.6192 55.0508 18.2315 179.5405 144 A 3.9388 7.8501 118.8119 55.1830 18.4190 180.1071 145 K 4.0081 7.7296 116.2574 59.7100 32.1439 179.1435 146 Y 4.1114 8.4219 117.2428 60.9762 37.8159 178.5758 147 K 3.9222 8.3966 120.6102 59.5663 32.0779 178.1400 148 E 3.9317 7.8646 117.8654 59.4739 29.6735 178.4137 149 L 4.3546 7.9366 116.0709 55.3224 42.0066 177.4022 150 G 3.8348 8.3070 107.0305 46.5949 0.0000 173.5239 151 Y 4.4773 8.6310 114.2997 57.0800 39.0689 176.3642 152 Q 4.0967 8.3841 124.7458 56.4352 28.3756 173.3452 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 V 8.05 4.13 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 0.93 0.00 0.00 0.95 0.00 0.00 2 L 8.16 4.23 0.00 0.75 0.75 0.53 -0.54 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 3 S 8.90 4.52 0.00 4.07 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 4 E 8.86 4.24 0.00 2.18 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 2.43 2.52 0.00 5 G 8.10 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 6 E 7.97 3.98 0.00 1.91 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 2.24 2.28 0.00 7 W 8.31 4.34 0.00 3.55 3.17 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 8 Q 8.48 4.09 0.00 2.32 2.32 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 2.40 2.47 0.00 9 L 7.89 4.07 0.00 1.95 1.74 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.84 3.77 2.47 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 1.18 0.00 0.00 0.88 0.00 0.00 11 L 8.56 4.24 0.00 1.84 1.82 0.93 0.94 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 12 H 8.79 4.22 0.00 3.40 3.40 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.75 3.43 2.28 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 1.04 0.00 0.00 0.89 0.00 0.00 14 W 8.31 3.93 0.00 3.69 3.27 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 15 A 7.96 4.03 1.40 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 0.00 0.00 0.00 16 K 7.37 3.96 0.00 1.38 1.71 0.00 1.63 0.00 0.00 1.48 0.00 0.00 2.69 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.44 7.81 17 V 7.01 2.93 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 0.00 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 18 E 7.45 3.99 0.00 2.04 1.91 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 2.20 2.23 0.00 19 A 7.35 4.28 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 20 D 7.69 4.63 0.00 2.71 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.76 3.49 2.04 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 0.97 0.00 0.00 0.88 0.00 0.00 22 A 7.95 4.06 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 23 G 7.97 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.20 4.13 0.00 3.30 3.20 0.00 5.82 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 25 G 8.44 3.59 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 0.00 26 Q 8.16 3.80 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 27 D 7.92 4.30 0.00 2.64 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 28 I 7.68 3.62 1.86 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 0.84 0.88 0.00 0.00 29 L 7.45 3.45 0.00 1.24 0.74 0.72 0.98 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 30 I 7.44 3.55 1.76 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 1.34 0.72 0.87 0.00 0.00 31 R 7.94 3.78 0.00 1.95 2.06 0.00 3.04 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 32 L 7.74 3.93 0.00 1.80 1.50 1.08 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 33 F 8.15 4.59 0.00 3.08 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 34 K 8.21 4.02 0.00 1.67 1.83 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.60 7.81 35 S 8.00 4.28 0.00 3.75 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 36 H 8.11 4.69 0.00 3.07 3.00 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.46 0.00 2.14 2.12 0.00 3.83 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 2.09 2.00 0.00 38 E 8.22 4.12 0.00 2.28 2.28 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 2.19 2.53 0.00 39 T 8.10 3.89 4.43 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 0.92 0.00 0.00 40 L 7.88 3.64 0.00 1.32 1.75 0.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.73 4.08 0.00 2.07 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 0.00 2.37 2.44 0.00 42 K 7.93 4.42 0.00 1.88 1.71 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.73 1.93 7.81 43 F 7.99 4.62 0.00 3.25 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 44 D 8.48 4.42 0.00 2.67 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 45 R 7.92 3.48 0.00 1.47 1.14 0.00 3.01 0.00 0.00 2.87 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.36 0.00 46 F 7.72 5.08 0.00 2.90 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 47 K 7.73 3.92 0.00 1.74 1.92 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.32 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.60 7.81 48 H 8.30 4.35 0.00 3.29 3.42 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.50 4.04 0.00 1.66 1.59 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.52 4.35 0.00 1.77 1.81 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.52 7.81 51 T 7.53 4.60 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 1.20 0.00 0.00 52 E 8.53 3.91 0.00 2.04 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 2.35 2.35 0.00 53 A 7.92 3.96 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 54 E 8.06 3.95 0.00 2.12 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 2.35 2.35 0.00 55 M 7.95 4.18 0.00 2.07 2.26 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 2.78 2.60 0.00 56 K 8.22 3.99 0.00 1.81 1.84 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.56 7.81 57 A 7.70 4.33 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 58 S 7.35 4.31 0.00 3.91 3.74 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 59 E 8.86 4.02 0.00 2.14 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 2.39 2.45 0.00 60 D 8.16 4.41 0.00 2.94 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 61 L 7.94 3.47 0.00 1.52 1.67 0.02 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.82 3.88 0.00 1.94 1.95 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.42 7.81 63 K 8.37 3.96 0.00 1.98 2.06 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.50 7.81 64 H 8.58 4.44 0.00 3.68 3.57 0.00 5.84 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 65 G 8.13 3.58 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 0.00 0.00 0.00 66 V 7.59 3.63 2.26 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 1.04 0.00 0.00 1.01 0.00 0.00 67 T 7.70 3.92 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 68 V 7.85 3.62 2.21 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 1.09 0.00 0.00 0.99 0.00 0.00 69 L 8.00 4.27 0.00 1.80 1.83 0.86 0.88 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 70 T 8.25 4.14 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 1.34 0.00 0.00 71 A 7.99 4.03 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 72 L 8.10 3.81 0.00 1.73 1.79 0.21 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.77 3.40 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 0.00 0.00 0.00 0.00 74 A 7.82 4.03 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 75 I 7.31 3.81 1.90 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 1.56 0.88 0.95 0.00 0.00 76 L 7.75 4.00 0.00 1.21 1.56 -0.17 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.67 4.03 0.00 1.67 1.80 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.55 7.81 78 K 7.96 4.00 0.00 1.94 1.80 0.00 1.77 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.60 1.60 7.81 79 K 8.20 2.00 0.00 1.24 0.74 0.00 1.46 0.00 0.00 1.42 0.00 0.00 2.70 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.69 7.81 80 G 7.95 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 81 H 7.48 4.53 0.00 3.15 3.24 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.21 5.13 0.00 3.36 3.48 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.32 3.92 0.00 2.11 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 2.40 2.49 0.00 84 A 7.98 4.09 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 85 E 8.10 4.23 0.00 2.22 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 2.37 2.43 0.00 86 L 8.30 4.21 0.00 1.80 1.73 0.80 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.98 3.84 0.00 2.00 1.82 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 88 P 0.00 4.28 0.00 2.23 2.11 0.00 3.77 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 2.23 2.16 0.00 89 L 7.51 4.04 0.00 1.80 1.88 1.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.31 4.16 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 91 Q 8.19 3.80 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 92 S 7.93 3.99 0.00 3.98 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 93 H 8.41 4.37 0.00 3.50 3.56 0.00 5.80 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 94 A 7.58 3.06 -0.08 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 0.00 0.00 0.00 95 T 7.10 3.84 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 1.00 0.00 0.00 96 K 7.43 4.11 0.00 1.56 1.66 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.20 1.34 7.81 97 H 8.08 4.36 0.00 3.02 3.18 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.96 3.75 0.00 1.89 1.88 0.00 1.81 0.00 0.00 1.91 0.00 0.00 3.12 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.34 1.54 7.81 99 I 8.30 4.20 2.05 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 1.54 0.92 1.10 0.00 0.00 100 P 0.00 4.50 0.00 1.91 1.97 0.00 3.18 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 0.54 1.12 0.00 101 I 8.48 3.39 1.72 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.62 0.72 0.00 0.00 102 K 7.98 3.62 0.00 1.70 1.62 0.00 1.55 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 0.69 7.81 103 Y 7.87 4.16 0.00 3.20 3.04 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 0.00 104 L 7.91 4.20 0.00 1.83 1.78 0.67 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.86 4.01 0.00 1.96 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 2.45 2.43 0.00 106 F 7.84 4.52 0.00 3.27 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 0.00 107 I 8.14 3.89 2.02 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 1.58 1.39 1.08 0.00 0.00 108 S 8.01 4.22 0.00 4.23 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 0.00 109 E 8.38 4.08 0.00 2.29 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 2.68 2.61 0.00 110 A 8.13 4.03 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 0.00 111 I 7.95 3.69 2.08 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 1.58 0.86 1.04 0.00 0.00 112 I 7.87 3.78 2.11 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 1.67 0.77 1.13 0.00 0.00 113 H 8.46 4.12 0.00 3.37 3.47 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.91 3.55 2.04 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 0.89 0.00 0.00 0.98 0.00 0.00 115 L 7.97 3.82 0.00 0.74 0.52 0.76 0.90 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 0.00 116 H 7.86 4.38 0.00 3.48 3.54 0.00 5.95 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.81 4.15 0.00 3.84 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 0.00 118 R 7.77 4.18 0.00 1.54 1.52 0.00 2.75 0.00 0.00 2.72 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.47 0.00 119 H 7.84 4.95 0.00 3.23 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.21 0.00 2.02 2.07 0.00 3.65 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.17 0.00 121 G 8.18 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 0.00 0.00 0.00 122 D 8.10 4.76 0.00 2.75 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 0.00 123 F 7.94 4.88 0.00 3.01 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 G 7.47 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 0.00 125 A 8.42 3.89 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 0.00 126 D 7.93 4.21 0.00 2.83 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 0.00 127 A 7.69 3.94 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 0.00 128 Q 7.82 3.28 0.00 1.60 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 129 G 8.03 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.79 3.85 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 0.00 131 M 8.19 4.02 0.00 2.43 2.39 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.86 0.00 132 N 8.30 4.34 0.00 3.00 2.92 0.00 0.00 7.21 6.27 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 0.00 133 K 8.01 3.90 0.00 1.84 1.69 0.00 1.64 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.57 7.81 134 A 7.83 3.80 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 0.00 135 L 8.08 4.11 0.00 1.89 1.79 0.98 0.60 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 0.00 136 E 8.37 3.99 0.00 2.19 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 2.34 2.60 0.00 137 L 8.28 3.97 0.00 1.85 1.96 0.99 1.30 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 0.00 138 F 8.26 4.16 0.00 3.19 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 0.00 139 R 8.27 3.60 0.00 2.01 1.85 0.00 3.12 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 1.65 1.92 0.00 140 K 8.32 3.83 0.00 1.86 1.97 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 D 8.08 4.37 0.00 2.78 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 0.00 142 I 7.39 3.58 1.42 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.04 0.37 0.00 0.00 143 A 7.98 3.68 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 0.00 144 A 7.85 3.94 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 0.00 145 K 7.73 4.01 0.00 2.04 1.97 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.19 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.55 7.81 146 Y 8.42 4.11 0.00 3.09 3.16 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 0.00 147 K 8.40 3.92 0.00 1.98 2.01 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 148 E 7.86 3.93 0.00 2.18 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 0.00 2.35 2.38 0.00 149 L 7.94 4.35 0.00 1.93 1.88 0.81 0.86 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 0.00 150 G 8.31 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 0.00 0.00 0.00 151 Y 8.63 4.48 0.00 2.75 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 0.00 152 Q 8.38 4.10 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00