NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7023 8.4293 116.2228 55.1656 30.4080 173.3446 2 C 4.0888 7.9554 113.9813 56.8117 30.2498 172.0484 3 D 4.5730 8.3657 118.7029 55.2297 40.0458 175.6425 4 L 4.0839 8.1238 120.6154 56.8555 42.2914 175.6497 5 P 4.5921 0.0000 0.0000 62.2499 32.3618 175.3064 6 C 4.3589 8.4869 113.1199 57.6358 30.7411 175.0008 7 G 3.9049 8.2409 107.7014 45.4720 0.0000 172.9466 8 V 4.2196 7.1634 119.1768 61.0578 32.6451 174.3333 9 Y 4.6741 7.9162 123.4247 56.7154 42.1812 174.2426 10 D 3.5999 7.8662 116.2253 51.7292 43.9529 174.9364 11 P 4.1413 0.0000 0.0000 64.4602 31.2109 178.0911 12 A 3.9702 8.6031 120.9220 55.0789 17.7579 179.5624 13 Q 3.8116 7.9192 116.3442 59.0629 28.7183 179.0390 14 A 4.0468 7.7732 121.0950 55.0980 18.5092 179.2980 15 R 3.8338 8.1544 117.4613 59.7808 30.1304 178.6631 16 I 3.7160 8.1388 119.8089 64.5723 37.1312 178.3297 17 E 3.9905 7.9889 118.5849 59.3623 29.2815 179.2957 18 A 4.0677 8.3129 120.9630 55.0914 18.2941 179.5784 19 E 3.9491 8.5566 117.7407 59.6587 29.4482 179.6952 20 S 4.1149 8.0301 115.2895 61.4008 62.8750 176.7410 21 V 3.5698 7.7893 120.9562 66.0675 31.2788 178.0871 22 K 4.1495 8.0894 118.9952 59.4279 32.1078 178.5354 23 A 4.0373 8.3319 121.4080 55.3255 18.1984 179.7377 24 I 3.7582 8.2099 118.6896 64.5977 37.1591 178.6820 25 Q 4.0165 8.0385 118.9635 59.0206 28.2848 178.7213 26 E 4.0515 8.1768 118.8508 59.3231 29.8774 179.2472 27 K 4.2255 8.0887 118.5326 59.6557 31.7594 179.3678 28 M 4.4262 8.4596 119.0715 58.2444 31.6366 178.3853 29 A 4.2111 7.9542 119.0872 53.7664 18.6876 178.2881 30 A 4.7880 7.5864 116.9873 51.1049 19.8926 176.4422 31 N 4.5795 7.7266 115.2463 52.3817 40.3713 173.1322 32 D 4.7815 8.6135 124.6348 53.1402 40.1337 176.6951 33 D 4.4041 8.5486 120.6693 54.6642 42.4495 176.1981 34 L 3.9363 8.7081 128.5447 59.0506 42.1691 178.9905 35 H 4.1418 8.3165 115.2947 58.7408 28.6570 177.5159 36 F 4.2095 8.5751 122.5444 61.3548 39.2437 177.2361 37 Q 3.9279 8.4203 117.8509 58.8414 28.3734 178.9704 38 I 3.6324 7.8306 120.7421 64.4842 37.1322 178.6622 39 R 3.8121 7.9045 118.5639 59.1863 29.8165 179.0080 40 A 3.7173 7.9258 120.8208 55.2989 18.2695 179.8483 41 T 3.7295 7.8415 114.2051 66.6411 68.3923 177.0257 42 V 3.5226 7.8901 120.2972 66.2283 31.5610 178.2211 43 I 3.9912 7.9024 121.0950 63.6338 36.8361 178.3352 44 K 3.9105 8.3983 121.0374 59.3192 31.9616 178.4320 45 E 3.8931 8.1218 119.6535 59.3822 29.3038 178.9251 46 Q 3.9624 7.8233 118.0559 59.1184 28.7652 179.0009 47 R 4.0195 8.2045 118.9362 59.0808 30.0834 178.9556 48 A 3.9879 8.2754 120.9022 55.0637 18.2912 179.2753 49 E 3.8794 8.1849 117.8673 59.4206 29.6483 179.0753 50 L 3.9185 7.9795 118.8403 57.6557 41.6520 179.2997 51 A 4.0609 8.2274 120.8142 55.1887 18.2444 179.8712 52 K 3.9286 8.2280 117.0104 59.7246 32.1280 179.0004 53 H 4.1375 8.4306 118.6665 59.7293 29.9105 177.0158 54 H 4.2441 8.3177 118.0110 58.9021 28.4956 177.8726 55 L 4.1046 8.0509 120.8432 57.8585 41.4346 179.1595 56 D 4.5399 8.5121 119.2917 57.4853 40.7496 179.1064 57 V 3.7527 7.9947 118.6972 65.8918 31.4468 178.0974 58 L 3.9031 7.9819 118.4384 57.4810 41.2827 179.2447 59 W 4.6293 8.4279 127.1961 60.7898 30.8287 177.7666 60 S 4.0159 8.7750 113.0657 60.5140 62.8578 175.1627 61 D 4.6972 8.3619 121.0285 56.0625 41.7226 177.4206 62 Y 3.3924 7.4794 118.3346 60.0404 39.0754 175.5267 63 F 3.9655 7.9313 118.3407 57.3753 39.4526 175.2793 64 K 4.5639 8.1790 123.9957 53.6950 35.0708 175.2968 65 P 4.4379 0.0000 0.0000 65.9266 31.1383 177.0443 66 P 4.2746 0.0000 0.0000 65.8455 31.0849 178.4209 67 H 4.3257 8.0444 115.1820 58.9943 28.4127 177.9370 68 F 4.2490 7.7081 117.6670 60.2838 38.7956 177.1179 69 E 4.2215 7.8852 117.5118 59.3958 29.4265 179.0277 70 S 4.3317 8.1201 114.3563 59.9315 64.0648 173.9843 71 Y 4.5764 8.1132 119.8984 54.8184 37.8462 174.2009 72 P 4.5172 0.0000 0.0000 64.4560 31.9773 177.0072 73 E 4.3689 8.1133 117.8867 56.6895 30.5439 177.2313 74 L 3.9260 8.1685 120.7038 59.0898 42.0091 178.2982 75 H 4.4024 8.4164 115.3310 59.5336 28.6527 177.6641 76 T 3.8320 7.9650 116.7228 66.4013 68.2832 176.1802 77 L 3.8324 8.1939 122.4794 58.2887 42.1461 179.2708 78 V 3.5345 7.9811 118.2655 65.9585 31.4340 177.4556 79 N 4.0432 8.0696 116.7949 56.6580 38.6842 176.7797 80 E 3.7333 8.3179 120.1797 58.8627 29.5033 179.1786 81 A 3.8316 7.5731 120.9815 55.3040 18.4888 180.2014 82 V 3.6075 7.7855 110.9326 64.3442 31.5708 179.0522 83 K 3.9825 8.0232 118.2363 59.1730 31.8461 179.2727 84 A 4.0956 8.1270 121.4378 55.0393 18.2622 179.6995 85 L 4.0312 7.7960 117.2696 57.9149 41.4876 179.8293 86 S 4.1174 8.0560 115.1430 61.4983 62.5209 176.5709 87 A 3.9903 7.9187 122.4209 54.9983 18.4450 179.2565 88 A 4.1719 8.0027 120.7770 54.5889 18.1790 179.9184 89 K 3.9305 7.9201 116.2367 59.1894 32.1261 178.2304 90 A 4.5890 7.2734 118.7966 51.0529 19.6082 176.6236 91 S 4.6073 7.3644 113.4085 58.6035 65.6132 173.9923 92 T 4.3419 8.3017 113.6005 61.3607 69.7272 173.9072 93 D 4.5110 8.2106 124.1328 53.2190 41.3186 174.8823 94 P 4.7131 0.0000 0.0000 64.8728 31.2359 178.3043 95 A 4.0195 8.9461 120.3891 55.1662 17.6871 179.7147 96 T 4.0404 8.3467 108.9932 64.7853 68.9567 177.3461 97 G 3.6041 8.0277 108.1949 47.6013 0.0000 175.3701 98 Q 4.0014 8.3380 122.1143 58.6786 29.1710 178.1409 99 K 3.7878 8.1923 120.6184 59.3625 32.2385 178.6450 100 A 4.1894 7.9641 120.6045 55.2931 18.3519 179.6340 101 L 4.0213 7.9683 117.4947 57.9548 41.5615 179.5429 102 D 4.3366 8.2555 119.2013 57.5553 40.7502 178.4323 103 Y 4.4612 7.8041 116.8634 61.2152 37.8463 178.5072 104 I 3.8141 8.1441 120.6086 64.2833 37.1758 178.3360 105 A 4.1044 8.2279 121.7202 55.2561 18.3271 179.7282 106 Q 4.0347 8.0514 116.2726 59.2235 28.7134 179.0852 107 I 3.8058 8.0130 120.9029 64.3132 37.1184 177.9356 108 D 4.3789 8.6768 119.4572 57.1540 41.1126 178.2292 109 K 4.1018 8.3333 120.1004 59.7990 32.3399 178.8862 110 I 3.7126 7.7146 119.6906 64.0870 36.6762 178.0736 111 F 4.0195 8.3711 121.0279 61.3368 39.4757 177.0954 112 W 4.1864 8.2604 118.2845 59.5454 28.6941 178.4794 113 E 4.1534 8.3490 119.0182 59.4451 28.6710 179.1305 114 T 4.0791 7.6316 108.4200 63.8882 69.0875 176.5032 115 K 4.0913 7.5596 120.8236 58.5981 32.2124 179.0872 116 K 4.1535 8.0137 117.8270 59.3067 32.3726 176.6763 117 A 4.1902 7.6639 125.4141 52.4817 18.2803 177.1068 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 H 8.43 4.70 0.00 3.25 3.26 0.00 5.48 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.96 4.09 0.00 3.14 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 3 D 8.37 4.57 0.00 2.88 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 4 L 8.12 4.08 0.00 1.62 1.76 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.59 0.00 2.28 2.09 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 6 C 8.49 4.36 0.00 3.04 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 7 G 8.24 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 0.00 0.00 0.00 8 V 7.16 4.22 1.83 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 0.72 0.00 0.00 0.87 0.00 0.00 9 Y 7.92 4.67 0.00 2.77 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 0.00 0.00 0.00 0.00 10 D 7.87 3.60 0.00 2.55 2.36 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 11 P 0.00 4.14 0.00 2.26 1.89 0.00 2.94 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.12 0.00 12 A 8.60 3.97 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 13 Q 7.92 3.81 0.00 1.88 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 14 A 7.77 4.05 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 15 R 8.15 3.83 0.00 1.89 2.09 0.00 3.20 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 16 I 8.14 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 1.53 0.71 0.92 0.00 0.00 17 E 7.99 3.99 0.00 2.18 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 0.00 2.58 2.56 0.00 18 A 8.31 4.07 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 19 E 8.56 3.95 0.00 2.21 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 2.34 2.50 0.00 20 S 8.03 4.11 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 21 V 7.79 3.57 2.29 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 1.00 0.00 0.00 0.96 0.00 0.00 22 K 8.09 4.15 0.00 1.90 1.80 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.18 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.62 7.81 23 A 8.33 4.04 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 24 I 8.21 3.76 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.79 0.90 0.00 0.00 25 Q 8.04 4.02 0.00 2.29 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.66 0.00 26 E 8.18 4.05 0.00 2.13 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 0.00 2.36 2.61 0.00 27 K 8.09 4.23 0.00 2.21 2.17 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.73 7.81 28 M 8.46 4.43 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.47 0.00 29 A 7.95 4.21 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 30 A 7.59 4.79 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 31 N 7.73 4.58 0.00 2.36 2.33 0.00 0.00 7.11 8.35 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 32 D 8.61 4.78 0.00 2.83 2.77 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 0.00 0.00 0.00 33 D 8.55 4.40 0.00 2.88 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 34 L 8.71 3.94 0.00 1.79 1.66 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.32 4.14 0.00 3.49 3.40 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.58 4.21 0.00 3.19 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 37 Q 8.42 3.93 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 38 I 7.83 3.63 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.85 0.88 0.00 0.00 39 R 7.90 3.81 0.00 1.84 1.89 0.00 3.16 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 40 A 7.93 3.72 0.78 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 41 T 7.84 3.73 4.33 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 1.17 0.00 0.00 42 V 7.89 3.52 2.18 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 1.01 0.00 0.00 0.93 0.00 0.00 43 I 7.90 3.99 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.94 0.89 0.00 0.00 44 K 8.40 3.91 0.00 1.82 1.96 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.12 3.89 0.00 2.29 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 2.29 2.38 0.00 46 Q 7.82 3.96 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 47 R 8.20 4.02 0.00 1.83 2.11 0.00 3.29 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 48 A 8.28 3.99 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 49 E 8.18 3.88 0.00 2.19 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 0.00 2.29 2.38 0.00 50 L 7.98 3.92 0.00 1.95 1.70 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.23 4.06 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 52 K 8.23 3.93 0.00 2.00 1.86 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.65 7.81 53 H 8.43 4.14 0.00 3.21 3.43 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.32 4.24 0.00 3.38 3.30 0.00 5.67 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 55 L 8.05 4.10 0.00 1.88 1.76 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.51 4.54 0.00 2.92 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 57 V 7.99 3.75 2.32 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 1.25 0.00 0.00 0.87 0.00 0.00 58 L 7.98 3.90 0.00 2.11 1.74 0.79 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.43 4.63 0.00 3.50 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.77 4.02 0.00 4.05 4.22 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 61 D 8.36 4.70 0.00 3.01 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 62 Y 7.48 3.39 0.00 1.43 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.93 3.97 0.00 2.91 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 0.00 0.00 0.00 0.00 64 K 8.18 4.56 0.00 1.47 1.56 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.16 7.81 65 P 0.00 4.44 0.00 2.15 2.18 0.00 3.57 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 66 P 0.00 4.27 0.00 1.97 2.04 0.00 3.44 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 67 H 8.04 4.33 0.00 2.94 3.10 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.71 4.25 0.00 3.19 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 69 E 7.89 4.22 0.00 2.17 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 2.60 2.51 0.00 70 S 8.12 4.33 0.00 4.02 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 8.11 4.58 0.00 2.90 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 72 P 0.00 4.52 0.00 2.07 2.16 0.00 3.68 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 2.03 2.25 0.00 73 E 8.11 4.37 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 2.39 2.35 0.00 74 L 8.17 3.93 0.00 1.83 1.83 0.53 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.42 4.40 0.00 3.27 3.36 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.97 3.83 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 1.24 0.00 0.00 77 L 8.19 3.83 0.00 1.84 1.86 1.08 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.98 3.53 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 0.92 0.00 0.00 1.18 0.00 0.00 79 N 8.07 4.04 0.00 2.71 2.76 0.00 0.00 7.24 7.04 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 80 E 8.32 3.73 0.00 1.36 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.37 0.00 81 A 7.57 3.83 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 82 V 7.79 3.61 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 0.79 0.00 0.00 0.83 0.00 0.00 83 K 8.02 3.98 0.00 1.91 1.80 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.47 7.81 84 A 8.13 4.10 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 0.00 0.00 0.00 0.00 0.00 85 L 7.80 4.03 0.00 1.91 1.73 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.06 4.12 0.00 4.05 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 87 A 7.92 3.99 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 88 A 8.00 4.17 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 89 K 7.92 3.93 0.00 1.96 2.03 0.00 1.69 0.00 0.00 1.95 0.00 0.00 3.23 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.66 7.81 90 A 7.27 4.59 1.26 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 0.00 0.00 0.00 91 S 7.36 4.61 0.00 3.82 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.30 4.34 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 1.21 0.00 0.00 93 D 8.21 4.51 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.71 0.00 2.20 2.12 0.00 3.94 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 95 A 8.95 4.02 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 96 T 8.35 4.04 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 1.22 0.00 0.00 97 G 8.03 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 98 Q 8.34 4.00 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 99 K 8.19 3.79 0.00 1.99 1.98 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.21 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.33 7.81 100 A 7.96 4.19 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 0.00 101 L 7.97 4.02 0.00 1.92 1.74 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.26 4.34 0.00 2.59 2.53 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 0.00 103 Y 7.80 4.46 0.00 3.23 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.14 3.81 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.85 0.94 0.00 0.00 105 A 8.23 4.10 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 0.00 106 Q 8.05 4.03 0.00 2.41 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 107 I 8.01 3.81 2.11 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 1.47 0.98 1.08 0.00 0.00 108 D 8.68 4.38 0.00 2.95 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.33 4.10 0.00 1.97 2.05 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.59 7.81 110 I 7.71 3.71 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.92 -0.11 0.00 0.00 111 F 8.37 4.02 0.00 2.90 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 0.00 112 W 8.26 4.19 0.00 3.57 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 0.00 113 E 8.35 4.15 0.00 2.28 2.18 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 2.46 2.71 0.00 114 T 7.63 4.08 4.09 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 0.00 0.00 0.00 1.27 0.00 0.00 115 K 7.56 4.09 0.00 2.05 1.95 0.00 1.40 0.00 0.00 0.63 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.70 0.60 7.81 116 K 8.01 4.15 0.00 1.91 1.91 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.91 7.81 117 A 7.66 4.19 1.26 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 0.00 0.00 0.00