NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3497 8.3044 120.3531 53.9685 34.2485 174.1167 2 L 3.3525 8.9894 124.6476 55.3614 42.4073 180.0778 3 K 3.7342 8.2054 125.5023 54.1133 36.0514 173.6561 4 Q 4.6557 7.7409 115.1665 55.4151 32.7389 173.3735 5 V 4.7521 8.5372 126.1819 61.1052 35.1577 173.7308 6 E 4.9284 8.6821 125.5720 54.5337 32.4786 175.0338 7 I 4.9387 8.2739 124.4309 59.3941 41.3872 174.4689 8 F 5.4050 9.1490 124.0032 55.9758 42.4238 174.1911 9 T 5.3134 8.6150 112.3525 60.5472 72.1177 172.4463 10 D 4.7959 8.9388 120.7884 53.7207 45.2301 174.0944 11 G 4.6947 8.5203 108.3986 45.1207 0.0000 171.7499 12 S 4.9712 8.8165 114.0284 57.2326 66.3283 172.8593 13 C 5.2270 8.9822 126.2031 57.9124 34.4066 173.6930 14 L 4.3918 8.8494 124.2506 54.9634 41.7034 176.1147 15 G 4.1078 7.3332 106.3352 45.0252 0.0000 173.1702 16 N 4.9723 8.2216 117.2306 51.0390 38.3907 171.4958 17 P 4.7022 0.0000 0.0000 61.5379 34.3091 174.8203 18 G 4.0676 8.6926 106.1792 44.9247 0.0000 170.9157 19 P 4.9365 0.0000 0.0000 63.7951 32.2822 175.7487 20 G 4.5444 8.7410 108.2917 45.8475 0.0000 170.9629 21 G 4.5729 8.8992 106.5095 46.0160 0.0000 171.7403 22 Y 5.5010 8.0905 117.5677 55.4471 42.3653 174.4535 23 G 4.7360 9.2637 105.4971 44.9647 0.0000 171.8102 24 A 5.5292 9.4873 124.7080 50.3973 23.2186 174.9301 25 I 5.0847 9.3354 122.1988 59.3753 40.9548 174.4830 26 L 4.9494 9.2817 128.1782 53.6098 44.9816 175.8449 27 R 5.1413 8.8128 127.9474 54.3169 28.6461 176.6026 28 Y 4.3695 8.4595 123.3453 60.1143 40.4830 175.5627 29 R 4.6552 7.6012 119.1007 56.5026 30.1830 176.4895 30 G 4.1369 8.5439 99.5154 44.2006 0.0000 171.9131 31 R 4.5151 7.2673 114.3224 55.3367 32.1222 172.7082 32 E 5.2436 8.5252 116.2927 54.5817 33.1753 175.8201 33 K 4.6562 9.0375 121.2399 54.9211 36.0991 175.3777 34 T 5.0275 7.9132 118.2409 61.8126 72.4544 173.3289 35 F 5.0279 8.9069 122.9981 55.9760 43.1086 174.1346 36 S 5.0627 8.9677 114.6492 58.3049 65.3167 173.6767 37 A 4.4528 7.1750 127.4180 50.3682 22.8385 174.5843 38 G 4.7315 8.2416 106.6733 43.8456 0.0000 171.8121 39 Y 4.9786 9.0224 121.7861 56.3040 40.2198 177.1062 40 T 3.9482 8.7710 113.6376 64.4599 69.8194 174.7820 41 R 4.3594 7.9630 122.7502 55.4653 32.4894 173.4120 42 T 4.1410 8.4055 121.9174 61.4075 71.4204 171.7153 43 T 4.7538 7.9547 109.9998 59.2875 72.2723 174.7077 44 N 4.3310 8.6513 119.7784 56.8482 39.0044 176.7537 45 N 4.3080 7.8973 117.5742 56.0398 38.5284 177.5003 46 R 3.9201 7.6750 119.8692 59.4208 30.0171 178.9288 47 M 4.1379 7.9697 118.0921 58.1121 31.4899 178.6569 48 E 4.0963 8.1016 119.0269 59.0500 29.5973 179.3552 49 L 3.7247 7.7713 118.6924 57.9709 41.7140 178.8474 50 M 3.7443 8.1826 118.2669 58.5595 31.9012 178.0400 51 A 3.4633 7.5953 120.2445 55.1446 18.6421 179.5830 52 A 3.9616 7.4835 118.8356 55.0509 18.4129 179.8067 53 I 3.5195 7.6025 118.5940 64.4264 36.9850 178.4220 54 V 3.2897 7.3854 117.8881 66.0147 31.4579 177.6759 55 A 3.4547 7.2995 119.6555 55.0933 18.1805 179.6582 56 L 3.7640 7.6819 117.3683 57.8335 41.4423 179.4061 57 E 4.0676 8.4350 117.0942 58.3443 29.4883 178.5935 58 A 4.1322 7.1982 120.1106 53.1850 18.6772 177.6825 59 L 4.0225 6.9478 117.9340 54.6000 41.8092 176.7482 60 K 4.2245 8.8369 125.3099 58.7187 32.7933 177.5602 61 E 4.3172 7.7958 118.6731 55.9465 30.6701 176.4196 62 H 4.3150 8.6419 117.9704 56.4435 29.8567 174.5531 63 C 5.3515 8.8732 119.0089 58.1542 33.4526 172.7116 64 E 4.8312 8.4668 119.1776 55.2920 30.4124 175.5775 65 V 4.6192 9.0207 126.0115 61.0636 34.7684 174.8627 66 I 4.4365 8.3745 126.2888 59.5020 40.1078 173.8604 67 L 4.5860 8.1409 130.3019 53.2180 44.0701 175.1560 68 S 5.1898 8.6849 122.7362 57.0430 65.6136 173.0797 69 T 5.0922 8.7660 118.7790 60.7020 70.9569 173.7122 70 D 5.1826 8.8628 124.8249 52.5445 40.3690 176.7251 71 S 4.2013 8.2531 116.0965 58.7359 62.9814 174.1436 72 Q 3.7852 8.7282 131.1100 59.1283 28.9246 177.0740 73 Y 4.3210 8.0513 120.1945 60.8867 38.8977 178.1794 74 V 3.6254 8.0510 118.9249 65.9281 31.6698 177.6836 75 R 2.5100 7.6120 118.3248 59.1657 29.6092 178.4507 76 Q 3.2339 8.0104 117.9207 58.4363 28.4709 179.0773 77 G 2.7439 7.1902 106.5848 47.3569 0.0000 175.9506 78 I 3.5469 7.2360 121.4527 64.0483 37.2768 178.0759 79 T 4.1652 7.1658 107.7752 62.9068 69.1603 174.1422 80 Q 4.2091 7.2561 117.8160 57.2398 31.7186 177.6557 81 W 3.3943 6.8670 116.6000 59.5349 29.0841 178.2726 82 I 3.3205 7.2408 120.1727 64.8974 36.5225 178.0247 83 H 4.0401 7.7073 114.8536 58.6972 28.0304 177.2348 84 N 4.2030 7.4409 118.5175 55.8629 38.4811 177.1558 85 W 4.2307 7.8014 120.6838 59.6877 28.9863 178.6148 86 K 3.2265 7.6098 118.4027 59.3187 31.2493 179.3680 87 K 3.8747 7.3829 117.4475 59.0049 31.6915 178.5140 88 R 4.4915 7.5175 116.3719 55.0249 29.9911 176.8861 89 G 4.0133 8.2833 106.4585 46.4283 0.0000 173.9579 90 W 3.5274 8.3655 116.5722 57.4993 27.0821 174.3709 91 K 4.9925 7.4046 115.9764 54.6857 35.3468 177.0991 92 T 4.2610 8.6010 112.4707 60.3622 70.5341 175.2391 93 A 3.9330 8.5000 123.4287 54.8336 18.3280 177.9678 94 D 4.6651 7.9753 113.3950 52.6480 39.6402 176.6297 95 K 3.8524 7.9892 116.7190 57.6325 30.3383 175.7885 96 K 4.4188 7.1981 118.1198 54.5649 33.3473 174.4289 97 P 4.8244 0.0000 0.0000 62.3519 31.9363 177.0905 98 V 3.4914 8.2361 117.0729 61.2039 32.6751 175.6572 99 K 4.0323 8.3388 125.1602 57.1935 33.0946 176.0981 100 N 4.5367 9.9625 122.9499 53.7174 36.9140 176.8340 101 V 3.5949 7.5471 121.5400 65.0854 30.9371 176.9698 102 D 4.2545 8.0974 119.1664 56.5571 38.7720 178.8650 103 L 4.0032 7.7019 119.7847 56.8477 41.7373 179.2293 104 W 4.4204 8.0498 118.9323 59.8868 28.9450 178.6541 105 Q 3.8214 8.1003 118.1765 58.9465 28.2310 178.6734 106 R 3.8444 7.6262 119.7979 59.4182 30.0486 178.3254 107 L 4.0360 8.3649 120.5340 58.1056 41.9871 178.3748 108 D 4.5470 8.5746 118.0668 57.2146 40.9301 178.0418 109 A 4.0447 8.2486 120.6646 55.2713 18.6169 179.3298 110 A 4.1060 7.7467 117.3023 55.6986 18.6797 178.6969 111 L 4.0733 8.8776 119.0337 55.8141 41.2907 182.5962 112 G 3.4714 8.2468 109.1570 48.0481 0.0000 176.0945 113 Q 4.3927 7.7318 115.7856 55.7379 28.6071 175.1612 114 H 4.9130 8.0982 113.8070 55.2457 33.5771 173.3916 115 Q 4.4542 8.9893 120.0750 54.9131 29.6784 174.5919 116 I 4.5891 8.1684 124.9569 59.1258 39.5874 175.1572 117 K 4.3482 8.9574 128.8510 54.5819 33.9236 174.7599 118 W 4.5674 8.5439 127.6613 55.1567 30.5037 175.1187 119 E 4.1926 8.7358 126.8284 54.2071 31.1231 174.8103 120 W 5.3129 8.4398 127.9959 55.5804 29.5089 176.4773 121 V 3.6390 8.4780 119.1408 61.5694 32.0542 176.1498 122 K 4.1572 9.1726 123.4228 56.9694 32.6343 177.7391 123 G 4.2720 7.9949 104.8565 42.5794 0.0000 173.4467 124 H 4.0270 8.8143 115.5800 58.4128 28.8604 176.0986 125 A 4.1659 7.4077 122.7341 53.3550 18.3040 177.8776 126 G 3.8666 8.9866 110.9250 46.0605 0.0000 173.2631 127 H 5.0079 7.7906 116.1009 52.7477 29.1999 172.2863 128 P 4.1795 0.0000 0.0000 66.4576 31.3057 178.4522 129 E 3.7603 7.7646 117.6408 58.8586 29.3381 178.9343 130 N 4.4941 7.9366 116.2208 56.1359 38.8216 176.9439 131 E 3.4585 8.1694 120.9417 59.0097 29.6998 178.8855 132 R 3.8976 8.0287 118.8848 59.5209 30.0653 178.2598 133 C 4.2253 8.1973 116.6801 62.7263 28.0747 175.5019 134 N 4.3641 8.0948 118.2002 56.8002 38.5364 176.7751 135 E 3.9763 7.9881 119.4021 59.3700 29.5535 179.3519 136 L 3.9391 8.0664 118.7244 57.6765 41.8173 179.2871 137 A 4.1435 8.3568 121.0435 55.5409 17.8851 179.9989 138 R 3.9128 8.2421 116.2570 59.2178 30.2378 179.2516 139 A 4.0203 8.0904 120.5660 55.0546 18.4183 179.5906 140 A 3.9636 8.2170 119.1936 55.1107 18.1753 179.6950 141 A 4.0731 7.7001 118.3788 55.5730 18.5102 179.4112 142 M 4.2122 7.5008 114.8227 56.7555 33.3845 176.1844 143 N 5.0165 7.2596 115.2218 51.2810 38.9949 172.4218 144 P 4.3874 0.0000 0.0000 63.1098 32.7515 176.4351 145 T 4.2888 8.4561 110.3763 62.8299 70.6521 174.6416 146 L 4.4002 7.1787 120.9913 53.0095 43.2157 174.7559 147 E 4.8218 8.4262 120.5291 54.5999 31.8341 175.4823 148 D 4.8112 9.1295 125.7849 52.7432 40.3396 176.9973 149 T 4.0038 8.4634 117.4854 64.0644 69.0874 176.0718 150 G 4.1088 8.0346 108.3138 45.7255 0.0000 172.6341 151 Y 4.1604 7.7231 121.3531 57.8994 38.5782 175.2749 152 Q 4.1605 8.0778 126.4633 54.4209 29.5832 175.8587 153 V 3.4906 8.0468 123.9587 64.4529 33.5932 176.1747 154 E 4.4422 9.3731 111.6770 55.3302 29.1273 175.8350 155 V 3.8033 5.4500 117.3769 61.8208 32.3648 171.0137 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 M 8.30 4.35 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 2 L 8.99 3.35 0.00 1.88 1.74 1.06 0.36 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 3 K 8.21 3.73 0.00 1.83 1.96 0.00 1.89 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.38 7.81 4 Q 7.74 4.66 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.47 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 5 V 8.54 4.75 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 1.01 0.00 0.00 1.05 0.00 0.00 6 E 8.68 4.93 0.00 1.93 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 2.13 2.21 0.00 7 I 8.27 4.94 1.57 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.58 0.80 0.00 0.00 8 F 9.15 5.40 0.00 2.97 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 9 T 8.62 5.31 4.32 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 1.26 0.00 0.00 10 D 8.94 4.80 0.00 2.93 2.60 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 11 G 8.52 4.69 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 12 S 8.82 4.97 0.00 3.94 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 13 C 8.98 5.23 0.00 2.96 2.80 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 0.00 0.00 0.00 0.00 14 L 8.85 4.39 0.00 1.67 1.68 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.33 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 0.00 0.00 0.00 16 N 8.22 4.97 0.00 2.65 2.68 0.00 0.00 6.92 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 17 P 0.00 4.70 0.00 1.79 1.44 0.00 3.91 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 1.99 2.20 0.00 18 G 8.69 4.07 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 0.00 0.00 0.00 19 P 0.00 4.94 0.00 2.26 2.21 0.00 3.69 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 2.07 1.99 0.00 20 G 8.74 4.54 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 0.00 0.00 0.00 21 G 8.90 4.57 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 0.00 0.00 0.00 22 Y 8.09 5.50 0.00 3.22 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 23 G 9.26 4.74 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 0.00 0.00 0.00 24 A 9.49 5.53 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 25 I 9.34 5.08 2.15 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.82 1.04 0.00 0.00 26 L 9.28 4.95 0.00 1.96 1.63 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.81 5.14 0.00 1.88 1.93 0.00 3.27 0.00 0.00 3.45 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 28 Y 8.46 4.37 0.00 2.92 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 29 R 7.60 4.66 0.00 1.70 1.20 0.00 3.11 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.61 0.00 30 G 8.54 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 31 R 7.27 4.52 0.00 2.01 2.03 0.00 3.04 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 32 E 8.53 5.24 0.00 1.82 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 2.25 2.33 0.00 33 K 9.04 4.66 0.00 1.54 1.25 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.32 1.45 7.81 34 T 7.91 5.03 4.13 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 1.20 0.00 0.00 35 F 8.91 5.03 0.00 3.21 3.11 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 36 S 8.97 5.06 0.00 3.84 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 37 A 7.17 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.24 4.73 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 39 Y 9.02 4.98 0.00 2.99 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 40 T 8.77 3.95 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 41 R 7.96 4.36 0.00 1.81 1.88 0.00 3.32 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 42 T 8.41 4.14 4.16 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 1.24 0.00 0.00 43 T 7.95 4.75 4.15 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 1.09 0.00 0.00 44 N 8.65 4.33 0.00 2.82 2.81 0.00 0.00 6.90 6.71 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 45 N 7.90 4.31 0.00 2.40 1.79 0.00 0.00 7.18 7.66 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 46 R 7.67 3.92 0.00 1.84 1.85 0.00 3.40 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 47 M 7.97 4.14 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.82 0.00 48 E 8.10 4.10 0.00 2.28 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 0.00 2.40 2.74 0.00 49 L 7.77 3.72 0.00 1.53 1.42 -0.29 0.14 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 50 M 8.18 3.74 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.53 0.00 51 A 7.60 3.46 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 52 A 7.48 3.96 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 53 I 7.60 3.52 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.61 0.80 0.00 0.00 54 V 7.39 3.29 1.64 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 0.56 0.00 0.00 0.72 0.00 0.00 55 A 7.30 3.45 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 56 L 7.68 3.76 0.00 1.85 1.63 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.44 4.07 0.00 1.76 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 2.30 2.40 0.00 58 A 7.20 4.13 1.15 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 0.00 0.00 59 L 6.95 4.02 0.00 1.65 1.62 0.51 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.84 4.22 0.00 1.82 1.84 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.63 7.81 61 E 7.80 4.32 0.00 2.03 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 2.34 2.39 0.00 62 H 8.64 4.31 0.00 3.13 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.87 5.35 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 64 E 8.47 4.83 0.00 1.94 1.85 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 2.23 2.35 0.00 65 V 9.02 4.62 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 0.61 0.00 0.00 0.69 0.00 0.00 66 I 8.37 4.44 1.67 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 0.98 0.50 0.74 0.00 0.00 67 L 8.14 4.59 0.00 0.95 0.67 0.38 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.68 5.19 0.00 3.74 3.84 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 69 T 8.77 5.09 4.46 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 1.68 0.00 0.00 70 D 8.86 5.18 0.00 2.95 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 71 S 8.25 4.20 0.00 4.05 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.73 3.79 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.66 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 73 Y 8.05 4.32 0.00 3.11 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 74 V 8.05 3.63 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 1.00 0.00 0.00 0.99 0.00 0.00 75 R 7.61 2.51 0.00 0.71 1.47 0.00 2.21 0.00 0.00 2.59 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.50 0.00 76 Q 8.01 3.23 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.88 2.09 0.00 77 G 7.19 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 0.00 0.00 0.00 78 I 7.24 3.55 1.52 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 1.52 -0.15 0.50 0.00 0.00 79 T 7.17 4.17 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 1.09 0.00 0.00 80 Q 7.26 4.21 0.00 1.27 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.00 0.00 0.00 0.00 0.00 0.00 1.92 1.81 0.00 81 W 6.87 3.39 0.00 1.86 1.74 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 82 I 7.24 3.32 1.76 0.00 0.00 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 1.43 0.44 1.01 0.00 0.00 83 H 7.71 4.04 0.00 3.32 3.49 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.44 4.20 0.00 2.52 2.71 0.00 0.00 7.16 7.68 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 85 W 7.80 4.23 0.00 2.76 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 86 K 7.61 3.23 0.00 1.60 1.73 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.28 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.30 1.18 7.81 87 K 7.38 3.87 0.00 1.80 1.83 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.58 7.81 88 R 7.52 4.49 0.00 1.78 1.91 0.00 3.23 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 89 G 8.28 4.01 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 0.00 0.00 0.00 90 W 8.37 3.53 0.00 3.53 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 91 K 7.40 4.99 0.00 1.84 1.71 0.00 1.70 0.00 0.00 1.92 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.46 7.81 92 T 8.60 4.26 4.18 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 1.07 0.00 0.00 93 A 8.50 3.93 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 94 D 7.98 4.67 0.00 2.77 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 95 K 7.99 3.85 0.00 1.91 1.93 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.53 7.81 96 K 7.20 4.42 0.00 1.81 1.66 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.51 7.81 97 P 0.00 4.82 0.00 1.88 1.94 0.00 3.64 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 1.98 2.08 0.00 98 V 8.24 3.49 1.54 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 -0.22 0.00 0.00 0.64 0.00 0.00 99 K 8.34 4.03 0.00 1.76 1.78 0.00 1.98 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.51 7.81 100 N 9.96 4.54 0.00 3.24 2.91 0.00 0.00 6.61 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 0.00 101 V 7.55 3.59 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 0.76 0.00 0.00 0.55 0.00 0.00 102 D 8.10 4.25 0.00 2.82 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 0.00 103 L 7.70 4.00 0.00 1.65 1.47 0.77 0.84 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 0.00 104 W 8.05 4.42 0.00 3.39 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 0.00 105 Q 8.10 3.82 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 1.39 1.16 0.00 106 R 7.63 3.84 0.00 1.96 2.01 0.00 3.05 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 107 L 8.36 4.04 0.00 1.77 1.98 1.07 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.57 4.55 0.00 3.30 3.09 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 0.00 109 A 8.25 4.04 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 0.00 110 A 7.75 4.11 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 0.00 111 L 8.88 4.07 0.00 2.06 1.75 1.21 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.25 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 0.00 113 Q 7.73 4.39 0.00 1.96 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 114 H 8.10 4.91 0.00 2.95 3.22 0.00 5.83 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 0.00 115 Q 8.99 4.45 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 116 I 8.17 4.59 1.44 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.46 -0.19 0.00 0.00 117 K 8.96 4.35 0.00 1.65 1.59 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.32 7.81 118 W 8.54 4.57 0.00 2.59 1.74 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 E 8.74 4.19 0.00 1.87 1.68 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 2.19 2.23 0.00 120 W 8.44 5.31 0.00 3.22 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 0.00 121 V 8.48 3.64 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 0.70 0.00 0.00 1.06 0.00 0.00 122 K 9.17 4.16 0.00 1.91 1.79 0.00 1.57 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.53 7.81 123 G 7.99 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 0.00 0.00 0.00 0.00 124 H 8.81 4.03 0.00 3.23 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.41 4.17 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 0.00 126 G 8.99 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 0.00 0.00 0.00 127 H 7.79 5.01 0.00 3.38 3.43 0.00 5.65 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 0.00 128 P 0.00 4.18 0.00 2.15 2.27 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 129 E 7.76 3.76 0.00 1.16 1.21 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 1.47 1.99 0.00 130 N 7.94 4.49 0.00 3.07 2.99 0.00 0.00 6.79 7.66 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 0.00 131 E 8.17 3.46 0.00 1.90 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 0.00 2.21 2.08 0.00 132 R 8.03 3.90 0.00 1.88 1.99 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 133 C 8.20 4.23 0.00 3.30 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 0.00 134 N 8.09 4.36 0.00 3.05 3.06 0.00 0.00 7.21 7.33 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 0.00 135 E 7.99 3.98 0.00 2.34 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 0.00 2.33 2.53 0.00 136 L 8.07 3.94 0.00 1.94 1.73 0.96 0.47 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 0.00 137 A 8.36 4.14 1.54 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 0.00 0.00 138 R 8.24 3.91 0.00 1.95 2.00 0.00 3.15 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 139 A 8.09 4.02 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 0.00 140 A 8.22 3.96 1.25 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 0.00 0.00 141 A 7.70 4.07 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 0.00 142 M 7.50 4.21 0.00 2.03 2.27 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 2.62 2.83 0.00 143 N 7.26 5.02 0.00 2.68 2.64 0.00 0.00 7.20 7.57 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 0.00 144 P 0.00 4.39 0.00 2.17 2.11 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 145 T 8.46 4.29 4.16 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 1.14 0.00 0.00 146 L 7.18 4.40 0.00 0.85 1.41 0.64 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.43 4.82 0.00 1.93 1.88 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 2.25 2.41 0.00 148 D 9.13 4.81 0.00 2.71 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 0.00 149 T 8.46 4.00 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 1.26 0.00 0.00 150 G 8.03 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 0.00 0.00 0.00 151 Y 7.72 4.16 0.00 2.88 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 0.00 152 Q 8.08 4.16 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 153 V 8.05 3.49 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 0.79 0.00 0.00 0.77 0.00 0.00 154 E 9.37 4.44 0.00 1.98 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 2.11 2.24 0.00 155 V 5.45 3.80 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 0.54 0.00 0.00 0.88 0.00 0.00