NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3158 8.2644 123.5827 52.4994 19.0793 175.8211 3 R 4.0564 8.0599 121.7035 57.4562 32.6373 175.7702 4 R 4.1426 8.9469 115.9880 56.4500 29.0299 178.8327 5 R 3.9927 9.1067 122.9810 57.5590 31.1760 175.7551 6 R 4.1399 8.0612 117.1259 61.2513 30.0073 178.5673 7 A 3.5857 7.4992 115.8333 52.4834 15.5957 177.0177 8 E 4.1617 8.3439 123.1276 56.8234 30.5605 176.6027 9 V 4.0269 7.9666 119.6436 61.2316 32.3956 175.9464 10 R 3.8551 8.6167 126.4299 57.0359 30.1556 176.8350 11 Q 4.3518 8.3754 122.7801 53.7630 27.7701 175.1778 12 L 4.0563 8.1431 121.9102 54.8203 42.4087 177.4296 13 Q 4.1350 8.4963 121.1702 54.6648 29.1957 174.5116 14 P 4.4460 0.0000 0.0000 62.3964 31.6931 175.0858 15 D 4.5902 8.7535 118.0139 54.4633 41.4788 176.3853 16 L 4.5323 8.6328 123.9601 55.3875 41.5457 176.8688 17 V 4.1112 7.5052 116.3441 64.1591 33.5261 175.5805 18 Y 4.2306 9.5289 115.6720 57.4634 38.3283 176.9554 19 G 4.5014 8.2084 107.1086 45.8713 0.0000 172.9126 20 D 4.8343 7.5715 118.4004 53.0156 42.7466 177.9869 21 V 3.6407 8.4283 119.0096 64.5785 31.7527 178.5286 22 L 4.0024 8.6874 120.3658 58.1471 41.6025 179.4412 23 V 3.1548 7.8336 117.6862 66.0776 31.5932 177.6378 24 T 3.8642 7.9654 114.7717 67.2255 68.4390 175.3372 25 A 3.8769 8.0606 121.5596 55.7569 18.3382 179.0642 26 F 4.0405 8.8170 117.3093 61.5736 39.6103 177.8974 27 I 3.3301 8.2170 120.0325 64.3109 36.5498 178.2085 28 N 4.2525 8.3038 116.8351 56.2621 38.4653 177.3991 29 K 3.9925 7.5206 118.2635 59.2749 32.0818 179.1468 30 I 3.6859 6.8909 119.1647 63.1461 37.3514 176.6001 31 M 4.2389 7.0587 118.5814 55.4068 33.0256 175.4477 32 R 4.5510 7.9585 118.8761 55.9811 32.4376 174.7268 33 D 4.4788 9.4277 119.0306 55.3006 38.2525 174.2929 34 G 3.9213 8.2848 103.8542 46.7130 0.0000 175.9779 35 K 4.3178 7.6013 119.0792 54.8831 29.9395 178.1101 36 K 3.8081 7.9792 121.6133 59.6769 32.3072 176.8206 37 N 4.2924 8.0483 116.7746 56.6512 39.1315 176.1434 38 L 3.9542 8.0602 121.0406 58.2455 41.9816 178.6060 39 A 3.8871 7.9140 119.7498 55.1462 18.3222 179.3138 40 A 3.7744 8.0278 118.9999 56.2281 18.4800 179.0852 41 R 3.9274 8.9732 115.1425 59.9701 29.9232 179.6211 42 I 3.5107 8.2038 118.2288 64.3078 37.4346 177.5377 43 F 4.2821 8.4268 121.3498 61.8014 39.2876 177.1578 44 Y 3.9917 8.1073 116.3009 61.3464 37.5345 177.9734 45 D 4.4201 8.6488 118.4408 57.6565 41.2150 178.8191 46 A 4.1151 8.2445 121.3445 55.2620 17.9309 179.3504 47 C 4.0027 7.8944 115.4506 62.6894 27.7892 175.6161 48 K 4.4255 8.1243 117.7096 57.0262 31.6701 178.1933 49 I 3.9667 8.0786 121.8784 62.5855 38.1153 177.3536 50 I 4.0285 7.1932 117.5562 63.0387 37.3334 177.6201 51 Q 4.3348 7.9287 119.5255 58.3302 28.9101 177.6080 52 E 4.0571 7.7730 118.9980 58.6084 29.7293 178.2645 53 K 4.5210 7.7268 115.4297 56.3792 33.8412 176.3567 54 T 4.7093 7.7466 115.5767 61.4039 72.0789 175.1546 55 G 3.7415 8.7454 113.4210 47.4276 0.0000 173.7399 56 Q 4.4514 7.2209 118.0672 54.5972 30.3521 175.3630 57 E 4.2610 8.4812 119.8248 55.3952 30.5078 175.7346 58 P 4.2221 0.0000 0.0000 66.8606 30.8518 178.6516 59 L 3.7334 7.8394 120.2153 57.0912 42.2386 178.5349 60 K 4.1450 8.1406 118.6815 58.6225 32.1555 178.7762 61 V 3.5976 7.7219 117.6025 66.2403 31.7107 176.9588 62 F 4.2001 8.7973 121.0004 61.1837 39.2948 176.9944 63 K 3.4152 8.2794 118.0275 59.4533 31.7728 179.2481 64 Q 3.9084 8.0422 119.0901 59.4318 29.1864 177.2684 65 A 3.8993 8.1844 122.0011 54.3889 18.3797 179.7139 66 V 3.2654 6.8960 114.2340 65.8494 31.8347 178.0680 67 E 3.8791 7.6141 117.1952 59.3926 29.3978 178.0484 68 N 4.6195 8.5471 115.2315 54.4653 39.0563 175.9359 69 V 4.0898 7.3951 118.8359 62.4875 31.5659 175.0559 70 K 4.5148 7.7952 118.6580 54.1961 31.7665 174.7995 71 P 4.5829 0.0000 0.0000 62.9069 31.5728 176.2985 72 R 4.6573 8.3422 114.2623 56.6011 31.4975 174.9166 73 M 5.0975 7.7024 117.7046 54.4003 36.7399 173.1374 74 E 4.7406 8.5390 116.3658 56.2093 33.4356 174.4170 75 V 4.8165 8.3713 119.7812 61.6660 33.7215 175.0971 76 R 4.5783 9.2911 125.3694 54.2265 34.1927 175.0724 77 S 4.8725 8.9584 118.4314 57.7770 63.7462 173.0059 78 R 4.6227 7.9685 120.6455 55.8889 32.9435 173.0401 79 R 4.3924 8.6070 126.2551 55.9052 30.7853 176.6862 80 V 3.7159 8.0314 123.5653 62.1131 32.6338 175.4039 81 G 3.8791 8.5104 114.5886 45.3342 0.0000 171.8952 82 G 4.0642 7.2843 111.2411 45.7450 0.0000 174.7949 83 A 4.0544 7.7851 122.8865 51.4557 19.7845 175.8127 84 N 4.6828 8.7233 119.7304 52.8698 39.0526 175.2070 85 Y 4.5101 8.9188 124.2203 56.2278 37.4273 173.3209 86 Q 4.0074 8.4786 122.4938 56.1768 29.9992 176.0922 87 V 4.5942 9.0692 125.0855 60.7801 34.0577 173.7608 88 P 5.8272 0.0000 0.0000 60.7727 33.5239 174.4719 89 M 4.5719 8.2989 121.7707 54.8063 32.4063 175.0273 90 E 4.5422 8.5269 120.0472 56.4322 30.6668 176.2736 91 V 4.3883 8.0604 121.5169 60.7368 33.2950 175.7630 92 S 4.2188 8.7619 122.4716 58.0112 63.4989 173.1961 93 P 4.1621 0.0000 0.0000 66.5600 30.6536 178.1799 94 R 3.8343 8.0098 118.1393 59.0911 29.8161 177.8679 95 R 3.7613 8.9651 119.1223 59.6926 30.0364 178.0405 96 Q 3.8602 8.3493 117.8921 59.3725 28.8776 179.1626 97 Q 3.8236 7.8125 119.8320 59.4988 28.9997 178.5339 98 S 4.0198 7.7848 116.0238 61.8045 62.8134 177.0255 99 L 3.1736 7.8685 121.0026 58.0606 41.2669 178.7197 100 A 4.1817 7.4726 120.4317 54.9301 18.2696 179.2083 101 L 4.0579 8.0860 114.6547 57.8821 42.0604 180.0511 102 R 3.8362 7.5637 117.9641 59.4077 29.9836 178.4047 103 W 4.5890 8.6558 119.3282 60.6914 28.9782 177.5483 104 L 4.1424 9.0795 118.8391 57.0698 40.9148 179.4148 105 V 3.5342 8.3167 117.3587 67.0527 31.6099 178.3524 106 Q 4.0169 8.2643 116.3231 58.8522 28.8009 178.0374 107 A 4.1402 8.8658 121.6600 55.2557 18.5228 179.4735 108 A 4.0232 8.8786 119.7351 55.5579 18.3911 179.1704 109 N 4.6293 8.3328 111.1637 54.5110 38.6300 176.3620 110 Q 4.4750 7.8658 119.1954 55.2900 29.6754 175.6406 111 R 4.2949 7.6084 119.8774 55.3554 31.0501 174.3938 112 P 4.5359 0.0000 0.0000 64.2580 32.2847 176.3623 113 E 3.8672 8.2561 115.6940 56.5695 29.4416 176.8707 114 R 4.0234 8.9129 122.7817 59.2452 30.5716 177.8872 115 R 4.2900 7.8323 116.6352 55.2239 31.6976 176.4216 116 A 3.9330 8.7686 125.9662 55.4598 18.2979 179.2240 117 A 3.9525 8.0892 117.6132 55.5987 18.3581 179.6033 118 V 3.4224 7.8070 115.7752 66.1955 31.6680 177.9146 119 R 3.9895 7.8579 117.1073 59.6959 30.0501 178.8665 120 I 3.8203 7.6798 118.8026 64.5187 37.1258 177.7939 121 A 3.9993 7.7852 121.2285 56.7987 18.1191 178.6478 122 H 4.0571 8.6025 112.8418 58.9296 28.7182 177.2486 123 E 3.8983 8.7760 120.4583 59.7558 29.6488 179.6942 124 L 4.0018 8.2748 117.9699 58.3443 41.9952 178.8993 125 M 4.1342 8.3037 118.3495 58.8554 32.0091 178.3402 126 D 4.3824 8.4437 118.3741 57.7142 40.8614 179.4137 127 A 3.9303 7.9054 119.6513 55.1130 18.5105 178.9946 128 A 4.0747 7.8418 118.0779 55.4510 18.4740 179.4804 129 E 4.1358 8.0284 115.1847 60.7887 29.7398 177.0109 130 G 3.3371 7.0891 106.9100 44.6535 0.0000 172.6879 131 K 4.5609 7.8639 119.1317 54.3152 36.0323 175.9311 132 G 3.9801 9.0238 105.5883 45.3577 0.0000 174.8671 133 G 3.8644 8.9794 108.6559 48.0660 0.0000 175.2699 134 A 4.0039 8.3866 122.8874 55.1159 18.3195 179.5819 135 V 3.4987 7.6931 115.0149 65.8231 31.5527 177.8619 136 K 3.6902 7.9227 119.1752 59.6673 31.8868 178.2705 137 K 3.6655 7.4585 117.7849 59.4069 31.9283 178.7144 138 K 3.5115 7.0171 118.5661 59.7712 32.0552 178.5615 139 E 3.9312 8.2572 118.7017 59.5147 29.1575 179.0975 140 D 4.3388 8.5406 119.1210 57.1711 40.9841 178.8180 141 V 3.6551 8.0542 119.4658 65.9179 31.5267 177.6149 142 E 3.9658 8.1864 118.2315 59.9443 29.1410 180.0042 143 R 3.9291 7.8373 116.9374 59.4613 30.4275 178.4695 144 M 4.1414 8.3750 118.7291 58.4285 32.2245 176.7104 145 A 4.4086 7.7555 120.3216 51.7106 21.9718 177.2377 146 E 3.7914 8.8149 114.6110 57.4550 28.2166 175.2950 147 A 4.5719 8.4639 120.1194 52.8501 21.1859 176.9292 148 N 4.8905 7.7391 109.6690 53.2654 38.7940 176.5453 149 R 4.1312 8.1367 114.7952 57.3640 29.6186 176.7141 150 A 4.3738 8.0325 119.8994 53.1785 19.9501 177.8469 151 Y 4.4898 8.4219 114.4786 57.6190 38.3434 176.3708 152 A 4.4765 7.8150 122.6317 53.4457 19.9091 178.9373 153 H 4.5953 8.1444 109.6326 56.2162 28.5608 175.1732 154 Y 4.9334 7.3082 116.2252 59.9558 38.5496 179.9812 155 R 3.3926 8.3363 119.6477 58.7358 30.5198 176.1023 156 W 3.7345 7.9647 129.4261 57.5475 32.2792 173.4939 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 2 A 8.26 4.32 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 3 R 8.06 4.06 0.00 1.87 1.96 0.00 3.23 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 4 R 8.95 4.14 0.00 1.84 1.40 0.00 3.30 0.00 0.00 3.22 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 5 R 9.11 3.99 0.00 1.79 1.92 0.00 3.18 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 6 R 8.06 4.14 0.00 1.75 1.88 0.00 3.24 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 7 A 7.50 3.59 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 8 E 8.34 4.16 0.00 2.06 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 2.27 2.35 0.00 9 V 7.97 4.03 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 0.82 0.00 0.00 0.92 0.00 0.00 10 R 8.62 3.86 0.00 1.83 1.87 0.00 3.23 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 11 Q 8.38 4.35 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 12 L 8.14 4.06 0.00 1.61 1.62 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.50 4.13 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 14 P 0.00 4.45 0.00 2.31 2.16 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 15 D 8.75 4.59 0.00 3.13 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 16 L 8.63 4.53 0.00 1.78 1.70 0.95 0.90 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 17 V 7.51 4.11 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 0.25 0.00 0.00 0.42 0.00 0.00 18 Y 9.53 4.23 0.00 3.19 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 19 G 8.21 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.57 4.83 0.00 2.94 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 21 V 8.43 3.64 2.10 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 0.82 0.00 0.00 0.96 0.00 0.00 22 L 8.69 4.00 0.00 1.75 1.96 0.94 0.86 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 23 V 7.83 3.15 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 0.99 0.00 0.00 0.73 0.00 0.00 24 T 7.97 3.86 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 1.21 0.00 0.00 25 A 8.06 3.88 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 26 F 8.82 4.04 0.00 3.20 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 27 I 8.22 3.33 1.81 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.21 0.77 0.00 0.00 28 N 8.30 4.25 0.00 2.75 2.81 0.00 0.00 7.07 7.89 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 29 K 7.52 3.99 0.00 1.68 1.70 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.56 7.81 30 I 6.89 3.69 1.79 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.17 0.79 0.00 0.00 31 M 7.06 4.24 0.00 2.08 1.90 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 2.58 2.43 0.00 32 R 7.96 4.55 0.00 1.95 1.91 0.00 3.14 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 33 D 9.43 4.48 0.00 2.82 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 34 G 8.28 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 35 K 7.60 4.32 0.00 1.82 1.79 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.69 7.81 36 K 7.98 3.81 0.00 1.80 1.85 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.51 7.81 37 N 8.05 4.29 0.00 2.82 2.80 0.00 0.00 6.84 6.66 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 38 L 8.06 3.95 0.00 1.80 1.88 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.91 3.89 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 40 A 8.03 3.77 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 41 R 8.97 3.93 0.00 2.11 1.95 0.00 3.20 0.00 0.00 3.20 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.89 0.00 42 I 8.20 3.51 2.08 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 1.42 1.01 0.98 0.00 0.00 43 F 8.43 4.28 0.00 2.96 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 44 Y 8.11 3.99 0.00 3.30 2.87 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 45 D 8.65 4.42 0.00 2.86 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 46 A 8.24 4.12 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.89 4.00 0.00 3.03 2.98 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 48 K 8.12 4.43 0.00 1.81 1.82 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.65 7.81 49 I 8.08 3.97 1.97 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 1.51 1.62 0.89 0.00 0.00 50 I 7.19 4.03 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.74 0.94 0.00 0.00 51 Q 7.93 4.33 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 52 E 7.77 4.06 0.00 1.97 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 2.35 2.30 0.00 53 K 7.73 4.52 0.00 1.87 1.86 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.48 7.81 54 T 7.75 4.71 4.59 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 1.28 0.00 0.00 55 G 8.75 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 0.00 0.00 0.00 56 Q 7.22 4.45 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 57 E 8.48 4.26 0.00 2.17 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 2.44 2.39 0.00 58 P 0.00 4.22 0.00 2.17 2.48 0.00 3.85 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 2.37 2.20 0.00 59 L 7.84 3.73 0.00 2.06 1.91 0.81 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.14 4.15 0.00 1.94 1.82 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.46 7.81 61 V 7.72 3.60 2.27 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 0.93 0.00 0.00 1.03 0.00 0.00 62 F 8.80 4.20 0.00 3.04 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 63 K 8.28 3.42 0.00 1.76 1.77 0.00 1.77 0.00 0.00 1.60 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.89 7.81 64 Q 8.04 3.91 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 65 A 8.18 3.90 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 6.90 3.27 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 0.86 0.00 0.00 0.18 0.00 0.00 67 E 7.61 3.88 0.00 2.02 2.11 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 2.30 2.39 0.00 68 N 8.55 4.62 0.00 2.77 2.84 0.00 0.00 6.92 8.28 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 69 V 7.40 4.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.99 0.00 0.00 70 K 7.80 4.51 0.00 1.93 1.78 0.00 1.78 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.64 7.81 71 P 0.00 4.58 0.00 2.49 2.47 0.00 3.78 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 72 R 8.34 4.66 0.00 2.02 2.18 0.00 2.75 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 0.00 73 M 7.70 5.10 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 74 E 8.54 4.74 0.00 2.03 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 2.07 2.12 0.00 75 V 8.37 4.82 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 0.89 0.00 0.00 0.95 0.00 0.00 76 R 9.29 4.58 0.00 1.07 1.31 0.00 2.79 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.29 0.00 77 S 8.96 4.87 0.00 3.97 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 78 R 7.97 4.62 0.00 2.15 1.88 0.00 2.37 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.02 0.00 79 R 8.61 4.39 0.00 1.61 1.72 0.00 3.15 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.56 0.00 80 V 8.03 3.72 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 0.71 0.00 0.00 0.20 0.00 0.00 81 G 8.51 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 0.00 0.00 0.00 82 G 7.28 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.79 4.05 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 84 N 8.72 4.68 0.00 2.66 2.84 0.00 0.00 7.02 7.46 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 85 Y 8.92 4.51 0.00 2.83 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 86 Q 8.48 4.01 0.00 1.88 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 87 V 9.07 4.59 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 1.34 0.00 0.00 1.58 0.00 0.00 88 P 0.00 5.83 0.00 2.15 2.11 0.00 3.90 0.00 0.00 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.88 0.00 89 M 8.30 4.57 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 90 E 8.53 4.54 0.00 1.86 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 2.33 2.18 0.00 91 V 8.06 4.39 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 0.79 0.00 0.00 0.98 0.00 0.00 92 S 8.76 4.22 0.00 4.01 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 93 P 0.00 4.16 0.00 2.26 2.36 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 94 R 8.01 3.83 0.00 1.91 1.93 0.00 3.20 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 95 R 8.97 3.76 0.00 1.75 1.96 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 96 Q 8.35 3.86 0.00 2.37 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.58 2.34 0.00 97 Q 7.81 3.82 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 98 S 7.78 4.02 0.00 3.90 3.80 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 99 L 7.87 3.17 0.00 1.08 0.13 0.72 0.59 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 0.00 100 A 7.47 4.18 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 0.00 101 L 8.09 4.06 0.00 1.73 1.91 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.56 3.84 0.00 1.76 1.79 0.00 2.96 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 103 W 8.66 4.59 0.00 3.62 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 0.00 104 L 9.08 4.14 0.00 2.19 1.91 0.82 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.32 3.53 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.66 0.00 0.00 106 Q 8.26 4.02 0.00 2.44 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 107 A 8.87 4.14 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 0.00 108 A 8.88 4.02 1.47 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 0.00 109 N 8.33 4.63 0.00 2.91 2.89 0.00 0.00 7.08 7.64 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 0.00 110 Q 7.87 4.48 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.92 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 111 R 7.61 4.29 0.00 2.03 2.20 0.00 3.31 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 112 P 0.00 4.54 0.00 2.18 2.17 0.00 3.83 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 1.94 1.94 0.00 113 E 8.26 3.87 0.00 2.12 2.12 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 2.34 2.39 0.00 114 R 8.91 4.02 0.00 1.83 2.07 0.00 3.21 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 115 R 7.83 4.29 0.00 1.86 1.85 0.00 3.15 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 116 A 8.77 3.93 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 0.00 117 A 8.09 3.95 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 0.00 118 V 7.81 3.42 2.33 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 0.94 0.00 0.00 0.92 0.00 0.00 119 R 7.86 3.99 0.00 2.09 2.22 0.00 3.51 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 120 I 7.68 3.82 2.16 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 1.61 0.61 1.37 0.00 0.00 121 A 7.79 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 8.60 4.06 0.00 3.40 3.26 0.00 5.68 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 0.00 123 E 8.78 3.90 0.00 2.24 2.27 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 2.42 2.53 0.00 124 L 8.27 4.00 0.00 1.93 1.79 1.11 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 125 M 8.30 4.13 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.64 0.00 126 D 8.44 4.38 0.00 2.95 2.87 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 0.00 127 A 7.91 3.93 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 0.00 128 A 7.84 4.07 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 0.00 129 E 8.03 4.14 0.00 2.14 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 2.32 2.32 0.00 130 G 7.09 3.34 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 0.00 131 K 7.86 4.56 0.00 1.81 1.77 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.57 7.81 132 G 9.02 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 0.00 0.00 0.00 133 G 8.98 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.39 4.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.69 3.50 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 1.08 0.00 0.00 0.98 0.00 0.00 136 K 7.92 3.69 0.00 1.77 1.87 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.64 1.59 7.81 137 K 7.46 3.67 0.00 0.98 0.74 0.00 1.33 0.00 0.00 1.11 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.15 1.48 7.81 138 K 7.02 3.51 0.00 1.93 1.98 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.18 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.60 1.84 7.81 139 E 8.26 3.93 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 140 D 8.54 4.34 0.00 2.51 2.63 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 0.00 141 V 8.05 3.66 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 1.21 0.00 0.00 0.89 0.00 0.00 142 E 8.19 3.97 0.00 2.20 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 2.36 2.57 0.00 143 R 7.84 3.93 0.00 1.99 1.97 0.00 3.14 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 144 M 8.37 4.14 0.00 1.99 2.25 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.80 0.00 145 A 7.76 4.41 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 0.00 146 E 8.81 3.79 0.00 2.31 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 2.23 2.23 0.00 147 A 8.46 4.57 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 7.74 4.89 0.00 2.82 2.93 0.00 0.00 6.61 7.54 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 0.00 149 R 8.14 4.13 0.00 1.77 1.95 0.00 3.40 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 150 A 8.03 4.37 1.16 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 0.00 0.00 151 Y 8.42 4.49 0.00 2.89 3.14 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 0.00 152 A 7.81 4.48 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 0.00 153 H 8.14 4.60 0.00 3.20 3.27 0.00 5.48 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.31 4.93 0.00 3.30 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 0.00 155 R 8.34 3.39 0.00 2.00 2.22 0.00 3.42 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 156 W 7.96 3.73 0.00 3.79 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