NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3352 8.3149 120.1417 55.7670 33.1921 175.5646 7 L 4.1234 8.5238 124.3689 53.7599 42.2090 174.6740 8 H 5.1023 9.1158 116.6918 54.0477 32.7632 172.3640 9 K 4.6664 8.6050 118.8265 55.7992 33.3901 176.0143 10 E 5.0212 9.0858 122.8226 53.6800 33.6507 173.7770 11 P 5.0111 0.0000 0.0000 63.2918 32.4424 174.8624 12 A 4.9190 8.5761 121.9647 51.4201 23.1805 175.4276 13 T 4.6409 8.5624 115.0766 61.3058 71.9427 174.0623 14 L 4.1698 8.7211 128.1195 55.9806 42.3958 175.3778 15 I 4.3825 8.5673 125.7121 62.0906 38.7293 175.7093 16 K 4.6094 7.5621 120.8226 55.1139 35.6876 174.2466 17 A 4.5324 8.7131 130.5405 52.0969 19.2907 176.8925 18 I 4.2315 8.2907 122.7418 62.5920 38.8937 174.9026 19 D 4.5374 7.4257 117.3085 53.2638 43.7849 175.5941 20 G 3.7346 8.7698 108.8643 47.7394 0.0000 174.0438 21 D 4.8917 8.0549 116.8658 53.0557 40.2820 175.2330 22 T 5.1997 7.7581 115.6860 62.4138 72.9653 173.3138 23 V 4.8234 8.7476 118.5057 59.4785 36.5585 174.2385 24 K 4.9974 9.1561 126.2186 55.3521 33.6555 175.3443 25 L 5.3574 9.1370 126.6048 53.0700 46.4923 175.2090 26 M 4.9010 9.1696 122.0169 55.0383 33.6097 174.2775 27 Y 5.0379 9.2691 128.0220 56.0237 41.9675 175.6281 28 K 3.7662 9.4462 127.2567 57.5182 29.7272 176.0730 29 G 3.9454 8.3889 104.0768 45.3800 0.0000 173.1556 30 Q 4.7442 7.8342 121.0494 53.3693 32.1690 172.8454 31 P 5.0054 0.0000 0.0000 62.9006 32.2851 175.3983 32 M 4.8627 9.3915 123.1967 54.3942 36.4173 173.5393 33 T 4.7878 8.4445 121.3168 62.8284 70.6576 173.4358 34 F 4.9840 9.5312 125.0659 55.6475 41.7900 174.3864 35 R 4.9284 9.0272 124.3430 54.7254 31.9606 175.1653 36 L 4.4268 8.6569 127.2484 54.1362 42.4472 177.2362 37 L 3.8513 8.4066 124.7316 56.2649 42.2198 178.1775 38 L 4.0762 8.8995 120.7893 54.8366 39.2439 174.0173 39 V 4.9628 7.2428 109.4987 59.5377 35.7256 174.7403 40 D 4.9802 9.2459 123.5137 52.8463 43.1937 175.6771 41 T 4.7569 8.3558 113.7481 59.2185 70.8897 173.0668 42 P 4.4484 0.0000 0.0000 62.8553 32.2631 175.5727 43 E 4.7797 10.3912 121.1759 54.9041 32.3631 177.1376 44 T 4.1279 8.3838 110.4487 62.9146 70.1240 176.0038 45 K 4.3953 7.3838 121.7646 54.6709 30.7530 174.1590 46 H 4.6370 8.7060 120.8696 53.8920 31.4018 173.8650 47 P 3.9769 0.0000 0.0000 65.2578 31.0455 176.1529 48 K 4.4218 7.1018 113.1905 58.0300 34.3315 177.7623 49 K 4.0769 8.1482 119.6065 60.8066 34.4156 176.0994 50 G 4.0344 8.2754 105.1921 44.9408 0.0000 175.6328 51 V 4.6811 8.6425 123.1116 60.9247 31.2038 173.8398 52 E 4.2068 8.7573 125.9745 54.5247 30.4218 176.4198 53 K 3.9468 8.1616 121.6301 58.2872 32.4188 176.4903 54 Y 4.2291 7.9380 122.5122 59.3753 35.7930 171.0596 55 G 3.7396 7.9732 107.4701 47.4534 0.0000 174.0047 56 P 4.2727 0.0000 0.0000 65.0429 31.3640 178.6853 57 E 4.0601 8.1657 116.6923 59.2955 29.5124 179.0305 58 A 4.0224 8.7301 121.4465 55.2445 18.5678 179.6823 59 S 4.1853 8.5636 111.8382 61.3084 62.3653 176.2373 60 A 4.0695 8.5241 124.2230 54.7161 18.0810 179.4305 61 F 3.9411 8.3117 119.3585 61.7841 39.4445 177.5002 62 T 3.9300 8.1568 115.3403 66.4503 68.2447 176.2312 63 K 3.8231 7.8913 121.1315 59.7905 32.1740 178.8131 64 K 3.9268 8.2910 118.7713 59.6395 31.7116 179.0964 65 M 3.8716 7.7033 117.4758 58.5752 31.9099 178.2781 66 V 3.8524 8.0923 112.6028 63.7589 31.6654 178.4177 67 E 4.0080 8.4988 118.1639 58.8552 29.4532 177.3532 68 N 4.6946 7.9548 113.8612 52.8092 38.7601 174.8091 69 A 4.6106 7.2778 121.0345 51.4061 19.6773 178.5913 70 K 4.1867 8.9001 121.1204 58.4813 32.6456 178.1733 71 K 4.6934 8.6703 117.7916 54.5042 35.9576 175.5823 72 I 5.0073 8.3950 124.7219 59.6436 40.0255 174.4158 73 E 5.2367 9.1653 124.7338 54.6730 33.8153 175.0917 74 V 4.6579 9.0508 115.5049 59.4778 35.4018 174.6679 75 E 4.9566 9.0603 124.4357 54.3872 32.0595 175.1760 76 F 4.6540 8.8329 125.7312 57.6874 40.1214 175.5533 77 D 4.9803 8.5227 120.7471 53.2519 43.2125 175.7757 78 K 4.3895 8.8638 117.3273 57.6695 33.8467 177.6460 79 G 4.2797 8.3650 110.8689 44.7448 0.0000 173.3010 80 Q 4.0409 8.6987 121.7736 56.6535 29.3283 176.6630 81 R 4.5303 8.4827 119.5576 56.4314 31.1130 175.9546 82 T 5.0964 7.4856 106.9973 59.7288 72.2065 173.1519 83 D 4.9316 8.3825 122.7174 51.6600 41.8258 176.7913 84 K 4.0003 8.4104 116.7250 59.2278 32.7531 176.8474 85 Y 4.3024 8.2147 116.5885 57.8416 38.0691 176.4113 86 G 3.9437 8.2329 108.7413 45.0086 0.0000 173.8575 87 R 4.3092 7.9290 119.3009 55.0987 31.7649 176.2901 88 G 3.5036 8.3703 111.0949 46.4849 0.0000 172.3138 89 L 5.3269 8.9789 124.3299 53.1655 43.1311 175.6828 90 A 4.4915 8.3155 124.6147 50.8741 23.4613 174.1479 91 Y 4.7252 8.7244 117.7121 57.1705 39.8731 174.9532 92 I 4.7967 8.5732 124.4199 59.6516 40.2862 174.0649 93 Y 5.0709 9.0784 124.0727 56.0446 41.0720 174.4603 94 A 4.8896 9.0843 126.2011 50.2061 21.2403 176.4653 95 D 4.4050 9.8646 125.6303 55.8325 39.0468 175.3855 96 G 4.0014 8.3990 105.6333 45.1664 0.0000 173.3116 97 K 4.5533 7.9106 120.2091 54.6806 33.8304 175.3250 98 M 3.9752 8.5005 123.6409 55.0661 33.3384 177.1147 99 V 3.6428 8.7133 126.9413 66.0732 31.3720 177.8468 100 N 4.3255 7.9508 115.9166 56.2625 38.4289 176.8304 101 E 3.8653 8.0358 119.9843 59.0861 29.9716 178.3794 102 A 4.0692 8.1493 120.8893 55.2060 18.3879 179.5244 103 L 3.4632 7.9497 117.3808 57.9191 41.7911 180.0561 104 V 3.8350 7.3866 118.9917 65.4160 31.2498 178.0367 105 R 3.9371 8.2248 118.0159 59.0765 29.9711 177.5574 106 Q 4.3084 7.6750 114.8894 54.9743 29.1358 175.8717 107 G 3.9045 7.9398 108.5512 46.9366 0.0000 174.7670 108 L 4.6476 7.9053 116.9276 53.8336 42.8577 176.2750 109 A 4.6367 7.4530 119.6494 50.8893 22.7407 175.7955 110 K 4.9503 8.6798 119.3375 54.5725 35.1345 176.1864 111 V 4.2133 8.9752 123.4407 62.8681 32.0091 176.0535 112 A 4.9198 8.7650 130.2420 50.8335 19.6820 176.4930 113 Y 4.3450 7.7178 116.8805 58.2623 38.4114 176.2032 114 V 4.0714 8.0121 123.6586 61.4520 33.2561 174.8162 115 Y 4.6970 8.0964 122.9579 55.7266 39.4969 175.2639 116 K 4.4487 8.6687 126.5257 56.0091 32.9057 174.2528 117 P 4.8486 0.0000 0.0000 63.1640 31.8892 176.8271 118 N 4.8686 8.2017 118.9185 52.3160 37.0471 175.5944 119 N 5.1141 7.7456 117.0354 52.5610 38.3389 178.0326 120 T 3.8470 8.6659 118.2078 67.9982 68.7400 175.2441 121 H 4.8484 7.8549 116.9477 55.9076 29.1974 177.1038 122 E 3.9608 8.3005 122.6611 59.7509 29.4201 178.7102 123 Q 3.9909 8.0546 117.5757 59.0164 28.8348 177.9451 124 H 4.2396 8.2250 118.8518 59.3983 29.9121 177.1401 125 L 3.9180 7.8927 120.6895 57.9453 41.4545 179.8230 126 R 4.0027 8.3342 118.0869 58.9254 30.0291 179.3228 127 K 3.9931 8.2291 118.6899 59.5512 31.9654 179.5837 128 S 4.1447 8.0515 115.4765 61.3955 62.6489 176.3365 129 E 3.9058 8.6192 122.4105 59.1943 29.3656 178.7464 130 A 3.7579 8.0676 120.8823 54.9516 18.2864 179.4737 131 Q 3.8027 7.9750 117.7076 59.2943 29.1734 178.2629 132 A 4.0347 8.2361 122.0120 54.8352 18.2493 179.8920 133 K 3.3455 7.7684 117.3858 59.3033 31.8231 179.5512 134 K 3.8869 7.7807 118.5961 58.9634 32.1689 177.7621 135 E 4.2237 8.2679 116.7561 55.2679 30.2027 176.1078 136 K 4.1599 8.0306 118.6195 56.0043 30.6181 174.7215 137 L 4.5736 8.0729 118.0651 54.9939 44.9242 177.8994 138 N 3.7750 9.3342 120.0332 54.0805 37.7590 176.4381 139 I 2.9522 5.4200 126.1857 64.4810 37.6420 176.6708 140 W 4.8871 8.0970 118.8545 56.4216 29.1130 176.6084 141 S 4.7862 7.9127 119.2107 57.9090 62.6636 173.9308 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 6 K 8.31 4.34 0.00 1.80 1.87 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.44 7.81 7 L 8.52 4.12 0.00 1.79 1.73 1.08 0.93 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 8 H 9.12 5.10 0.00 3.12 3.24 0.00 5.52 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.61 4.67 0.00 1.58 1.68 0.00 1.42 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.26 7.81 10 E 9.09 5.02 0.00 2.13 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 2.39 2.26 0.00 11 P 0.00 5.01 0.00 2.11 2.07 0.00 3.85 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 2.02 2.00 0.00 12 A 8.58 4.92 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 13 T 8.56 4.64 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 1.23 0.00 0.00 14 L 8.72 4.17 0.00 1.63 1.57 0.98 1.06 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 15 I 8.57 4.38 2.05 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 1.15 0.85 0.94 0.00 0.00 16 K 7.56 4.61 0.00 1.81 1.61 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.45 7.81 17 A 8.71 4.53 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 18 I 8.29 4.23 1.99 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 1.19 0.69 0.90 0.00 0.00 19 D 7.43 4.54 0.00 2.62 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 20 G 8.77 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 21 D 8.05 4.89 0.00 2.87 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 22 T 7.76 5.20 4.24 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 0.00 0.00 1.25 0.00 0.00 23 V 8.75 4.82 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 0.70 0.00 0.00 0.95 0.00 0.00 24 K 9.16 5.00 0.00 1.89 1.72 0.00 1.49 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.69 7.81 25 L 9.14 5.36 0.00 1.75 1.54 0.34 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.17 4.90 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 27 Y 9.27 5.04 0.00 3.25 3.08 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 28 K 9.45 3.77 0.00 1.45 1.61 0.00 1.06 0.00 0.00 1.21 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.06 0.52 7.81 29 G 8.39 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.83 4.74 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 31 P 0.00 5.01 0.00 2.02 2.01 0.00 3.75 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 2.05 2.11 0.00 32 M 9.39 4.86 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 33 T 8.44 4.79 4.20 0.00 0.00 0.00 0.00 0.00 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 34 F 9.53 4.98 0.00 2.99 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 35 R 9.03 4.93 0.00 1.88 1.79 0.00 3.32 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 36 L 8.66 4.43 0.00 1.54 1.57 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.41 3.85 0.00 1.15 1.20 0.42 0.32 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 38 L 8.90 4.08 0.00 2.02 1.94 1.17 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.24 4.96 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 0.74 0.00 0.00 0.91 0.00 0.00 40 D 9.25 4.98 0.00 2.39 2.45 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 41 T 8.36 4.76 4.21 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 1.22 0.00 0.00 42 P 0.00 4.45 0.00 2.31 2.07 0.00 3.50 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 2.14 2.05 0.00 43 E 10.39 4.78 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 44 T 8.38 4.13 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 1.21 0.00 0.00 45 K 7.38 4.40 0.00 1.72 1.76 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.33 7.81 46 H 8.71 4.64 0.00 3.14 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 3.98 0.00 1.91 2.04 0.00 3.11 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.97 0.00 48 K 7.10 4.42 0.00 1.75 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.36 7.81 49 K 8.15 4.08 0.00 1.57 1.67 0.00 1.62 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.45 7.81 50 G 8.28 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 51 V 8.64 4.68 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 0.84 0.00 0.00 0.96 0.00 0.00 52 E 8.76 4.21 0.00 2.04 1.82 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 2.24 2.45 0.00 53 K 8.16 3.95 0.00 1.62 1.71 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.13 0.97 7.81 54 Y 7.94 4.23 0.00 3.18 3.08 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 55 G 7.97 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 P 0.00 4.27 0.00 2.15 2.11 0.00 3.56 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 57 E 8.17 4.06 0.00 2.33 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 2.49 2.48 0.00 58 A 8.73 4.02 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 59 S 8.56 4.19 0.00 3.95 4.08 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 60 A 8.52 4.07 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 61 F 8.31 3.94 0.00 3.22 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 62 T 8.16 3.93 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 1.24 0.00 0.00 63 K 7.89 3.82 0.00 1.94 2.05 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.49 7.81 64 K 8.29 3.93 0.00 1.64 1.72 0.00 1.70 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.58 7.81 65 M 7.70 3.87 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 66 V 8.09 3.85 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 0.89 0.00 0.00 1.01 0.00 0.00 67 E 8.50 4.01 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 2.33 2.27 0.00 68 N 7.95 4.69 0.00 2.78 2.79 0.00 0.00 6.96 7.49 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 69 A 7.28 4.61 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 70 K 8.90 4.19 0.00 1.85 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.50 7.81 71 K 8.67 4.69 0.00 1.66 1.65 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 72 I 8.39 5.01 2.01 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 1.33 1.00 0.89 0.00 0.00 73 E 9.17 5.24 0.00 1.89 1.76 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 2.20 2.25 0.00 74 V 9.05 4.66 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 -0.03 0.00 0.00 0.48 0.00 0.00 75 E 9.06 4.96 0.00 2.24 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 2.47 2.53 0.00 76 F 8.83 4.65 0.00 3.02 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.52 4.98 0.00 2.74 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 78 K 8.86 4.39 0.00 1.91 1.97 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.23 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.52 7.81 79 G 8.37 4.28 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 0.00 80 Q 8.70 4.04 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 81 R 8.48 4.53 0.00 1.58 1.37 0.00 2.75 0.00 0.00 2.42 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 82 T 7.49 5.10 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 83 D 8.38 4.93 0.00 2.93 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 84 K 8.41 4.00 0.00 1.62 1.78 0.00 1.22 0.00 0.00 1.49 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.92 0.42 7.81 85 Y 8.21 4.30 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.23 3.94 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 0.00 0.00 0.00 87 R 7.93 4.31 0.00 2.06 1.80 0.00 3.12 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 88 G 8.37 3.50 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 89 L 8.98 5.33 0.00 1.57 1.62 0.96 0.59 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 90 A 8.32 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.72 4.73 0.00 3.05 2.66 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 92 I 8.57 4.80 1.75 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.78 0.80 0.00 0.00 93 Y 9.08 5.07 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 94 A 9.08 4.89 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 95 D 9.86 4.41 0.00 2.76 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 96 G 8.40 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.91 4.55 0.00 1.98 1.76 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.38 7.81 98 M 8.50 3.98 0.00 1.88 1.62 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 2.30 0.00 99 V 8.71 3.64 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 1.02 0.00 0.00 0.92 0.00 0.00 100 N 7.95 4.33 0.00 2.87 2.89 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 0.00 101 E 8.04 3.87 0.00 1.88 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 2.22 2.06 0.00 102 A 8.15 4.07 1.60 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 0.00 103 L 7.95 3.46 0.00 1.81 1.60 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.39 3.84 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 1.16 0.00 0.00 0.98 0.00 0.00 105 R 8.22 3.94 0.00 2.02 2.09 0.00 3.34 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 106 Q 7.67 4.31 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.38 0.00 0.00 0.00 0.00 0.00 2.33 2.15 0.00 107 G 7.94 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 0.00 108 L 7.91 4.65 0.00 1.26 1.47 0.55 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.45 4.64 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 0.00 110 K 8.68 4.95 0.00 1.67 1.80 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.15 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.27 1.16 7.81 111 V 8.98 4.21 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 0.75 0.00 0.00 0.96 0.00 0.00 112 A 8.76 4.92 1.24 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 0.00 0.00 0.00 0.00 0.00 113 Y 7.72 4.35 0.00 2.82 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 0.00 114 V 8.01 4.07 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 0.84 0.00 0.00 1.01 0.00 0.00 115 Y 8.10 4.70 0.00 3.04 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 0.00 116 K 8.67 4.45 0.00 1.77 1.76 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.65 7.81 117 P 0.00 4.85 0.00 2.26 2.15 0.00 3.86 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 1.98 2.01 0.00 118 N 8.20 4.87 0.00 2.94 2.89 0.00 0.00 6.63 8.57 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 0.00 119 N 7.75 5.11 0.00 2.88 3.01 0.00 0.00 6.11 7.22 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 0.00 120 T 8.67 3.85 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 1.10 0.00 0.00 121 H 7.85 4.85 0.00 2.88 3.12 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.30 3.96 0.00 2.21 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 2.34 2.39 0.00 123 Q 8.05 3.99 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 124 H 8.22 4.24 0.00 3.22 3.43 0.00 5.87 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 0.00 125 L 7.89 3.92 0.00 1.92 1.71 1.02 0.92 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 0.00 126 R 8.33 4.00 0.00 2.05 1.97 0.00 3.13 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 127 K 8.23 3.99 0.00 2.00 1.86 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.66 7.81 128 S 8.05 4.14 0.00 3.84 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 0.00 129 E 8.62 3.91 0.00 2.13 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 0.00 2.18 2.54 0.00 130 A 8.07 3.76 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 0.00 131 Q 7.98 3.80 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 132 A 8.24 4.03 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 0.00 133 K 7.77 3.35 0.00 1.47 1.23 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.48 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.30 0.71 7.81 134 K 7.78 3.89 0.00 1.67 1.96 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.44 7.81 135 E 8.27 4.22 0.00 2.00 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 2.31 2.46 0.00 136 K 8.03 4.16 0.00 1.93 1.87 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.49 7.81 137 L 8.07 4.57 0.00 1.79 1.68 1.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.33 3.77 0.00 2.67 1.63 0.00 0.00 7.12 7.34 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 0.00 139 I 5.42 2.95 1.04 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.25 -0.54 0.00 0.00 140 W 8.10 4.89 0.00 3.51 3.08 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 0.00 141 S 7.91 4.79 0.00 4.03 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00