NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.2779 8.4449 121.4685 56.4206 30.1394 175.0415 6 N 4.5891 8.6694 124.6692 52.6926 39.2353 173.9445 7 C 4.4339 8.0332 119.9570 58.0886 33.1933 172.5540 8 I 3.7253 8.3129 129.2644 64.2927 37.4803 177.4549 9 F 4.6694 8.0948 118.2203 60.6079 38.8402 177.4095 10 C 4.3661 8.2920 116.0694 62.7937 27.9960 176.1163 11 K 4.0111 8.2197 120.2005 59.3635 31.4435 179.5442 12 I 3.8263 7.5355 120.4945 64.2087 36.7242 178.4854 13 I 3.7092 7.6672 119.6744 64.4017 37.0523 178.1375 14 A 4.1716 8.0874 120.7974 53.3051 17.7439 178.5505 15 G 3.9353 7.7515 105.1003 45.4175 0.0000 175.0504 16 D 4.5504 7.9735 120.3510 56.1837 41.0257 176.7544 17 I 4.6491 6.9949 111.9894 57.7363 40.5242 173.3841 18 P 4.3919 0.0000 0.0000 63.4836 31.5971 175.6178 19 S 4.3675 7.9049 111.3462 57.3775 65.4321 175.2538 20 A 4.3270 8.3478 127.0059 51.0103 16.9141 176.3665 21 K 4.8022 8.2048 120.0803 56.9074 33.0232 177.6143 22 V 4.4843 8.6439 114.9700 62.3263 34.3623 175.0766 23 Y 4.7497 7.2775 118.8076 56.8572 42.0734 172.7787 24 E 5.0667 6.8941 121.2091 56.4097 31.0058 175.3755 25 D 4.4053 7.9991 122.7942 52.7961 41.7306 175.1433 26 E 4.1627 8.8897 118.3312 59.3956 29.9373 177.8739 27 H 5.0890 8.1498 112.1560 54.9494 31.7927 173.6767 28 V 5.1223 9.7816 118.8882 61.0678 35.4677 174.1556 29 L 5.2084 9.0256 126.1852 53.6929 45.7678 174.4183 30 A 5.3177 9.4590 128.3710 50.1659 22.2079 174.6997 31 F 5.2981 8.1084 115.4851 55.0626 41.7606 174.0335 32 L 4.4965 8.6168 120.3999 55.2455 42.5883 176.0750 33 D 4.6917 8.6908 121.9925 52.9404 41.9686 177.1980 34 I 3.7341 8.8876 127.1927 64.8661 37.4399 177.3344 35 S 4.1674 8.9719 115.7448 60.2714 63.1078 174.6317 36 Q 3.4417 8.0882 117.3402 56.2632 26.7600 174.7468 37 V 3.8156 7.9473 112.1552 64.5583 32.4547 176.9656 38 T 4.9156 7.4563 107.0080 59.2743 71.6920 172.7488 39 K 4.0530 8.4408 124.0077 58.9665 32.0066 176.7855 40 G 3.6693 8.7686 114.2248 44.7740 0.0000 171.8768 41 H 4.2305 8.1695 120.6854 57.4308 30.8166 173.8905 42 T 4.9880 9.0886 122.4249 61.6032 72.5195 173.1211 43 L 4.8789 8.4293 124.0821 52.8004 44.7178 175.5561 44 V 4.6673 8.5732 124.0831 61.0304 33.8315 174.3636 45 I 5.3235 8.6743 121.0315 58.4425 41.2555 172.9036 46 P 5.2524 0.0000 0.0000 62.4919 32.0584 176.3292 47 K 4.3230 9.2884 122.0425 59.9397 32.5154 178.5386 48 T 3.8828 7.9790 115.4421 63.7561 68.8750 173.7620 49 H 4.2346 8.6784 125.7877 55.1328 29.3229 174.0881 50 I 4.5352 7.4908 120.1343 58.6922 39.9486 176.8132 51 E 4.3294 9.8244 123.2481 58.6607 29.0306 176.0836 52 N 5.0162 7.5285 114.0710 51.6963 40.2360 175.0248 53 V 3.8411 8.9152 117.3168 65.0674 31.5386 178.1257 54 Y 4.3710 6.7794 114.5714 61.1026 37.6967 176.9842 55 E 4.2882 8.0720 115.9638 56.8001 29.6823 176.9231 56 F 4.2180 7.8812 119.4262 57.5067 39.5341 175.6705 57 T 4.6343 8.3165 115.3928 60.1803 72.4550 175.4497 58 D 4.3269 8.4893 120.9430 57.2617 40.7598 178.8546 59 E 3.9291 8.0811 119.5337 59.1730 29.6525 178.2361 60 L 4.2978 7.8668 119.6975 57.6095 42.5384 178.3826 61 A 3.8423 8.3597 120.8531 54.9227 18.0408 179.4183 62 K 3.9090 7.6472 116.6360 59.8396 32.7584 178.5027 63 Q 4.3012 8.3527 116.3423 57.6910 28.8098 176.2576 64 Y 4.5680 7.9347 120.4172 58.9875 39.5311 176.5813 65 F 4.0310 8.3112 120.8086 61.9148 39.2351 176.9564 66 H 3.7241 8.4960 113.6513 58.9730 27.6731 176.9724 67 A 3.2028 7.1782 123.0380 54.3435 18.0399 179.6492 68 V 3.2073 7.2568 117.0971 65.6196 31.5691 176.3349 69 P 4.0029 0.0000 0.0000 65.4493 31.1779 178.6355 70 K 3.7867 7.1570 116.6352 59.5694 31.9601 179.5079 71 I 3.5406 7.6569 119.9731 64.2011 36.9701 178.2461 72 A 3.9320 8.3172 121.9475 55.3085 18.0516 179.9801 73 R 3.8065 7.9807 116.2372 59.1457 30.1250 179.0348 74 A 3.9931 7.8648 120.5362 55.4391 18.4681 179.8139 75 I 3.8913 7.9192 118.2463 64.3721 37.0969 178.8299 76 R 3.8919 7.9104 119.6812 59.6492 29.8239 178.3812 77 D 4.3981 8.6545 117.8453 56.5831 40.7786 177.9775 78 E 4.0020 8.1309 119.3801 58.1845 30.0046 177.4740 79 F 4.6581 7.8422 113.5039 56.2917 41.0704 175.7720 80 E 3.8502 8.2346 117.4029 56.8408 26.9780 172.6794 81 P 4.4326 0.0000 0.0000 62.0666 32.8762 177.1537 82 I 3.9755 8.1374 112.7749 63.2011 38.4229 175.5029 83 G 4.1471 7.5454 108.4994 45.5962 0.0000 171.6126 84 L 4.8596 8.0936 120.4586 54.1063 44.8807 173.9434 85 N 5.1631 9.0825 124.0993 51.6351 41.7454 173.7389 86 T 4.9912 8.3094 111.2278 59.9551 70.9981 172.8813 87 L 4.8253 8.9587 127.9502 53.0129 45.7279 174.3877 88 N 5.1731 8.8050 123.3743 51.8507 41.6360 172.8389 89 N 4.8949 8.6882 123.1880 51.3909 40.7757 173.6569 90 N 4.9480 8.9796 120.3823 53.8460 40.7810 174.8499 91 G 4.1529 9.8139 111.7526 45.3999 0.0000 173.2100 92 E 4.4210 9.3586 122.9623 58.5584 29.5405 178.9102 93 K 4.2244 8.1667 113.9956 57.6600 32.2310 177.0585 94 A 4.4840 8.2458 121.6155 51.6921 19.5540 177.5455 95 G 4.0388 8.0621 104.4875 45.0233 0.0000 173.4901 96 Q 4.1231 8.0032 121.6954 55.1514 29.7007 175.8475 97 S 4.1082 8.4345 119.1079 58.2355 64.3374 173.6393 98 V 3.8573 7.0534 119.5292 60.8795 32.5993 176.3307 99 F 4.5568 8.2573 130.5679 56.2689 37.6105 175.0673 100 H 4.8918 7.5785 118.9725 54.3792 32.9860 171.6714 101 Y 4.1426 9.0547 128.6832 58.8178 38.8750 175.4185 102 H 4.9574 7.7761 120.7935 54.0867 32.0920 172.0589 103 M 4.5570 8.8008 121.4685 54.1966 34.3195 174.2799 104 H 4.9040 9.8923 124.7401 55.2378 30.8030 174.4459 105 I 4.7161 9.0720 123.7615 59.7273 39.9498 174.8665 106 I 4.5843 8.5037 129.8661 58.4075 39.1873 173.9346 107 P 4.6678 0.0000 0.0000 62.6625 32.4176 175.8593 108 R 4.8442 8.9397 120.1921 54.8643 32.8195 176.0577 109 Y 4.5496 9.6523 119.5798 56.5967 41.3161 175.7247 110 G 4.1401 8.3591 105.5709 43.5443 0.0000 175.1605 111 K 4.1532 8.6818 124.9357 57.9260 32.3653 176.1833 112 G 4.1029 9.2359 110.9466 45.6263 0.0000 173.8588 113 D 4.4591 7.6618 118.6703 55.2218 41.1548 177.1163 114 G 3.9127 8.7298 111.0488 45.8756 0.0000 173.2853 115 F 4.8973 7.8331 121.6711 56.3225 41.9585 174.0941 116 G 3.6977 6.8829 113.3372 44.3374 0.0000 171.9673 117 A 4.5015 7.8312 122.4005 49.7274 21.4304 176.2258 118 V 3.8492 8.3923 123.0008 62.1278 32.0520 175.6044 119 W 4.6489 8.6136 135.0000 55.2843 31.1078 172.8535 120 K 4.4083 8.0602 123.0893 54.4758 32.6982 176.8552 121 T 4.1564 8.1339 120.8928 63.5658 69.5279 174.0994 122 H 5.0337 8.2452 119.5302 55.1626 30.3830 175.8213 123 A 4.0981 8.5272 124.4460 55.7269 18.2781 180.2066 124 D 4.5877 8.0544 112.8281 56.3694 41.0351 176.6764 125 D 4.5596 8.0622 118.1166 54.6827 41.1638 175.8623 126 Y 4.8768 7.6868 116.5831 56.0838 41.8912 175.1279 127 K 4.5696 9.3756 123.5783 54.4356 34.1044 176.1529 128 P 4.3214 0.0000 0.0000 66.3698 30.8835 178.6099 129 E 4.0561 8.1718 117.7895 59.0867 29.3313 178.7706 130 D 4.4076 8.1715 119.1958 57.3389 40.9460 178.6871 131 L 3.9505 7.9394 118.9948 57.8699 41.7079 179.2113 132 Q 3.9851 7.9856 119.0610 59.1817 29.0875 177.8807 133 N 4.3504 8.2744 118.1319 56.5972 38.9331 177.0585 134 I 3.7455 8.1421 121.8791 64.4472 37.1706 178.6144 135 S 4.1647 8.6355 115.4370 61.4933 62.8075 176.6917 136 S 4.0898 8.1747 118.7930 61.4493 62.3433 176.5493 137 S 4.1063 7.7220 114.2757 61.4351 62.4097 176.0230 138 I 3.8523 7.6786 122.0393 64.2783 36.8870 178.1020 139 A 4.0229 8.3185 121.9550 55.3080 17.8579 179.8466 140 K 3.9824 8.0531 116.5934 59.4700 31.8773 179.2531 141 R 3.9738 7.8190 116.6056 57.4313 30.2209 176.9642 142 L 4.5450 7.5668 116.5934 53.8688 43.1121 176.3247 143 A 4.1649 7.4477 126.7798 52.6810 18.2280 177.3071 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 5 E 8.44 4.28 0.00 1.90 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 2.18 2.44 0.00 6 N 8.67 4.59 0.00 2.83 2.81 0.00 0.00 7.05 6.78 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 7 C 8.03 4.43 0.00 3.01 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 8 I 8.31 3.73 1.83 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.20 0.70 0.00 0.00 9 F 8.09 4.67 0.00 3.04 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 10 C 8.29 4.37 0.00 3.21 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 11 K 8.22 4.01 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 12 I 7.54 3.83 1.81 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 1.30 0.79 0.27 0.00 0.00 13 I 7.67 3.71 2.12 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.73 0.96 0.00 0.00 14 A 8.09 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 15 G 7.75 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 16 D 7.97 4.55 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 17 I 6.99 4.65 1.84 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 1.31 0.57 0.90 0.00 0.00 18 P 0.00 4.39 0.00 2.17 2.08 0.00 3.77 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 1.96 1.94 0.00 19 S 7.90 4.37 0.00 3.52 3.45 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 20 A 8.35 4.33 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 21 K 8.20 4.80 0.00 1.79 1.80 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.62 7.81 22 V 8.64 4.48 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.02 0.00 0.00 23 Y 7.28 4.75 0.00 3.03 2.71 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 0.00 0.00 0.00 0.00 24 E 6.89 5.07 0.00 1.88 1.57 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 1.94 2.27 0.00 25 D 8.00 4.41 0.00 2.84 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.89 4.16 0.00 1.88 1.90 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 1.92 2.23 0.00 27 H 8.15 5.09 0.00 3.24 3.38 0.00 5.61 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 28 V 9.78 5.12 2.49 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 1.14 0.00 0.00 1.17 0.00 0.00 29 L 9.03 5.21 0.00 1.86 1.57 1.03 0.81 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 30 A 9.46 5.32 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 31 F 8.11 5.30 0.00 3.21 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 32 L 8.62 4.50 0.00 1.63 1.66 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.69 4.69 0.00 2.41 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 0.00 0.00 0.00 34 I 8.89 3.73 1.93 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 1.44 0.54 0.94 0.00 0.00 35 S 8.97 4.17 0.00 3.98 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 36 Q 8.09 3.44 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.87 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 37 V 7.95 3.82 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.81 0.00 0.00 38 T 7.46 4.92 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 1.42 0.00 0.00 39 K 8.44 4.05 0.00 1.52 1.39 0.00 1.60 0.00 0.00 1.87 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.52 0.99 7.81 40 G 8.77 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.17 4.23 0.00 3.41 3.23 0.00 5.72 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 9.09 4.99 4.17 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 1.11 0.00 0.00 43 L 8.43 4.88 0.00 0.56 0.90 0.79 0.40 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 44 V 8.57 4.67 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 1.00 0.00 0.00 0.82 0.00 0.00 45 I 8.67 5.32 2.01 0.00 0.00 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 1.48 0.85 0.57 0.00 0.00 46 P 0.00 5.25 0.00 2.17 2.14 0.00 4.14 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 2.20 1.79 0.00 47 K 9.29 4.32 0.00 1.72 2.00 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.57 1.66 7.81 48 T 7.98 3.88 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 1.22 0.00 0.00 49 H 8.68 4.23 0.00 3.06 3.24 0.00 5.86 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.49 4.54 1.57 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.55 0.69 0.00 0.00 51 E 9.82 4.33 0.00 1.97 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 0.00 2.64 2.22 0.00 52 N 7.53 5.02 0.00 2.93 2.95 0.00 0.00 6.03 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 53 V 8.92 3.84 2.46 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 0.36 0.00 0.00 1.01 0.00 0.00 54 Y 6.78 4.37 0.00 3.23 3.02 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 0.00 0.00 0.00 55 E 8.07 4.29 0.00 1.80 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 2.39 2.56 0.00 56 F 7.88 4.22 0.00 3.22 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 57 T 8.32 4.63 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 1.24 0.00 0.00 58 D 8.49 4.33 0.00 2.80 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 59 E 8.08 3.93 0.00 2.10 1.96 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 2.39 2.43 0.00 60 L 7.87 4.30 0.00 1.74 1.92 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.36 3.84 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 62 K 7.65 3.91 0.00 1.96 2.11 0.00 1.81 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.51 7.81 63 Q 8.35 4.30 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.38 0.00 0.00 0.00 0.00 0.00 2.31 2.62 0.00 64 Y 7.93 4.57 0.00 3.40 3.13 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 0.00 65 F 8.31 4.03 0.00 3.07 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.50 3.72 0.00 3.30 3.53 0.00 5.51 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.18 3.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.26 3.21 1.51 0.00 0.00 0.00 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 0.78 0.00 0.00 69 P 0.00 4.00 0.00 1.93 1.88 0.00 3.27 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 70 K 7.16 3.79 0.00 1.62 1.67 0.00 1.46 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.42 7.81 71 I 7.66 3.54 1.69 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 1.21 0.27 0.82 0.00 0.00 72 A 8.32 3.93 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 73 R 7.98 3.81 0.00 2.00 1.94 0.00 3.09 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 74 A 7.86 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.92 3.89 2.02 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 1.50 1.06 0.96 0.00 0.00 76 R 7.91 3.89 0.00 1.96 2.07 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 77 D 8.65 4.40 0.00 2.62 2.69 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 78 E 8.13 4.00 0.00 1.92 1.89 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 1.93 1.47 0.00 79 F 7.84 4.66 0.00 3.24 3.33 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 80 E 8.23 3.85 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 81 P 0.00 4.43 0.00 1.98 1.32 0.00 3.92 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 1.87 1.82 0.00 82 I 8.14 3.98 1.84 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 1.22 0.52 0.92 0.00 0.00 83 G 7.55 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 0.00 0.00 0.00 0.00 84 L 8.09 4.86 0.00 1.53 1.44 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 85 N 9.08 5.16 0.00 2.40 2.55 0.00 0.00 6.11 7.21 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 86 T 8.31 4.99 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 1.19 0.00 0.00 87 L 8.96 4.83 0.00 1.53 1.28 0.99 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.80 5.17 0.00 2.70 2.66 0.00 0.00 6.94 7.79 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 89 N 8.69 4.89 0.00 2.66 2.82 0.00 0.00 6.91 8.00 0.00 0.00 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 N 8.98 4.95 0.00 2.61 2.61 0.00 0.00 7.39 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 9.81 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 0.00 0.00 0.00 0.00 92 E 9.36 4.42 0.00 2.29 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 2.46 2.42 0.00 93 K 8.17 4.22 0.00 1.84 1.88 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.41 7.81 94 A 8.25 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 95 G 8.06 4.04 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 0.00 0.00 0.00 96 Q 8.00 4.12 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.63 0.00 0.00 0.00 0.00 0.00 1.52 2.12 0.00 97 S 8.43 4.11 0.00 3.74 3.68 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 0.00 0.00 0.00 98 V 7.05 3.86 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 -0.23 0.00 0.00 0.48 0.00 0.00 99 F 8.26 4.56 0.00 3.18 3.03 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 0.00 100 H 7.58 4.89 0.00 3.18 3.29 0.00 5.78 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 9.05 4.14 0.00 2.76 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 0.00 102 H 7.78 4.96 0.00 2.96 3.20 0.00 5.55 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 0.00 103 M 8.80 4.56 0.00 2.43 2.24 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.66 0.00 104 H 9.89 4.90 0.00 2.97 3.07 0.00 5.80 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 0.00 105 I 9.07 4.72 1.80 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 1.17 0.78 0.84 0.00 0.00 106 I 8.50 4.58 1.49 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.45 0.77 0.00 0.00 107 P 0.00 4.67 0.00 1.67 1.92 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 108 R 8.94 4.84 0.00 1.62 1.90 0.00 3.27 0.00 0.00 3.49 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.73 0.00 109 Y 9.65 4.55 0.00 2.91 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 0.00 110 G 8.36 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 0.00 111 K 8.68 4.15 0.00 1.76 1.78 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 112 G 9.24 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 0.00 0.00 0.00 0.00 113 D 7.66 4.46 0.00 2.80 2.73 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 0.00 114 G 8.73 3.91 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 0.00 0.00 0.00 115 F 7.83 4.90 0.00 2.88 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 6.88 3.70 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 0.00 0.00 0.00 117 A 7.83 4.50 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 0.00 118 V 8.39 3.85 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 0.82 0.00 0.00 0.93 0.00 0.00 119 W 8.61 4.65 0.00 3.27 2.92 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 0.00 120 K 8.06 4.41 0.00 1.66 1.64 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.42 7.81 121 T 8.13 4.16 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 1.24 0.00 0.00 122 H 8.25 5.03 0.00 3.26 3.52 0.00 5.64 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 0.00 123 A 8.53 4.10 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 0.00 124 D 8.05 4.59 0.00 2.71 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.06 4.56 0.00 2.62 2.25 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 0.00 126 Y 7.69 4.88 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.38 4.57 0.00 1.85 1.91 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.52 7.81 128 P 0.00 4.32 0.00 2.27 2.34 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 129 E 8.17 4.06 0.00 2.10 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 2.41 2.47 0.00 130 D 8.17 4.41 0.00 3.02 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 0.00 131 L 7.94 3.95 0.00 1.90 1.70 0.72 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 132 Q 7.99 3.99 0.00 2.39 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 133 N 8.27 4.35 0.00 2.98 2.94 0.00 0.00 7.24 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 0.00 134 I 8.14 3.75 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.38 0.91 0.00 0.00 135 S 8.64 4.16 0.00 3.98 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 0.00 136 S 8.17 4.09 0.00 4.12 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 0.00 137 S 7.72 4.11 0.00 3.90 4.02 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 0.00 0.00 0.00 138 I 7.68 3.85 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 1.46 0.48 0.91 0.00 0.00 139 A 8.32 4.02 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 0.00 140 K 8.05 3.98 0.00 2.04 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 141 R 7.82 3.97 0.00 1.93 1.97 0.00 3.11 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 142 L 7.57 4.54 0.00 1.72 1.67 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.45 4.16 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