NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4901 0.0000 0.0000 62.3389 32.7583 176.6272 6 T 3.7984 8.7224 113.8341 61.7455 70.3919 173.7007 7 I 3.6524 8.4805 123.7845 64.5709 37.6192 179.1511 8 N 4.2221 8.2164 117.3379 57.0330 38.6546 176.5020 9 Q 4.0055 8.3434 119.4805 59.1105 28.8135 178.9349 10 L 3.9715 8.1360 120.1586 57.7146 41.3954 179.7874 11 V 3.5291 8.0478 117.3677 66.0873 31.6124 177.8348 12 R 4.0522 8.1261 116.6029 59.1707 30.1127 178.4535 13 K 4.3806 8.6612 115.8628 54.4678 33.5566 176.1814 14 G 3.9123 7.4032 111.2535 44.1332 0.0000 173.5256 15 R 3.9713 8.3057 117.7530 56.0136 30.6119 176.4378 16 E 4.3754 8.3032 120.8358 54.0066 30.0368 175.8688 17 K 3.9864 8.5684 126.7744 56.7074 32.0535 176.9640 18 V 4.1971 8.1405 123.9267 61.4638 32.9137 175.1647 19 R 4.6617 8.2329 123.7369 54.4846 32.6709 175.5069 20 K 4.5907 8.2130 118.2523 54.8594 34.1836 176.3058 21 K 4.4904 8.1434 120.5424 54.6828 33.6353 176.8220 22 S 4.1918 8.4270 117.4190 58.5666 62.8166 174.0233 23 K 4.3439 8.4744 125.1702 56.8339 32.3582 177.9314 24 V 4.4044 7.7202 119.1350 60.9675 31.8448 173.5464 25 P 4.4568 0.0000 0.0000 61.7273 29.3677 176.9195 26 A 4.3444 7.5486 130.5090 53.7970 20.7917 180.4570 27 L 3.1766 7.4915 127.0165 55.7337 43.5780 175.7649 28 K 3.7231 9.6132 113.4595 56.4296 32.7020 175.2240 29 G 3.8965 10.0121 103.7028 46.1621 0.0000 173.6047 30 A 4.3216 7.3202 120.4024 50.4075 19.5115 176.8025 31 P 4.1455 0.0000 0.0000 64.9389 31.7524 176.3689 32 F 5.1838 7.4839 115.5250 56.4109 43.3559 173.6595 33 R 4.7167 8.9300 120.8685 54.8867 33.6786 174.2240 34 R 4.8146 8.8248 126.1177 56.5244 32.1831 175.1563 35 G 4.4348 8.8448 110.4326 45.8671 0.0000 171.4088 36 V 4.9697 8.4899 119.2273 60.8098 34.5076 175.0408 37 C 4.6638 8.8356 125.7312 60.6866 28.0387 173.5120 38 T 4.4529 9.2905 119.9556 64.8427 70.2481 175.1083 39 V 4.3984 7.4491 118.5763 61.1113 35.1881 173.7834 40 V 5.0061 7.7991 123.4362 61.5980 30.1996 174.4446 41 R 4.3497 7.5769 124.0355 56.2319 32.8299 174.7336 42 T 4.9121 8.2599 112.0871 60.6891 70.5429 173.7781 43 V 4.7018 9.4708 128.4402 61.2213 35.3611 174.1978 44 T 5.0397 8.3136 115.7301 59.5141 70.2611 172.8103 45 P 4.8376 0.0000 0.0000 62.4751 32.9628 175.0055 46 K 4.2338 8.1163 119.3066 58.2603 34.8347 178.1296 47 K 3.6907 9.5202 121.0539 56.4845 33.8102 174.1561 48 P 4.1812 0.0000 0.0000 65.0030 32.3047 176.1959 49 N 4.9833 7.7311 114.9347 51.5596 40.9010 173.8827 50 S 4.4852 7.8024 112.4218 55.8763 65.3737 173.2134 51 A 4.4687 7.6808 128.6885 52.2988 21.4087 175.3599 52 L 4.9350 8.0398 119.5313 53.2603 41.8236 176.8389 53 R 4.3495 9.2417 123.5806 55.8329 32.0105 175.6480 54 K 4.6752 8.5659 121.8819 55.7365 33.7677 176.0558 55 V 5.1373 8.1019 123.1751 61.7243 35.7615 174.1120 56 A 4.7576 8.4229 122.5027 50.5114 22.9820 175.5299 57 K 4.3721 9.0170 125.3118 56.2485 33.3301 175.7308 58 V 4.7536 9.2221 128.7827 61.1588 34.3910 174.4711 59 R 4.8809 8.8147 128.3085 54.7418 31.3030 175.3044 60 L 4.8905 9.4665 128.7305 54.2749 42.6602 178.8499 61 T 3.8654 8.7417 112.5975 64.5930 68.8008 175.6810 62 S 4.2632 7.9877 114.4807 58.9131 63.0828 174.9870 63 G 3.9998 8.3657 110.2720 45.6262 0.0000 173.2769 64 Y 4.4456 7.6341 116.6842 57.0017 40.0977 174.5782 65 E 4.9950 8.7750 122.3524 54.9120 31.6827 175.0459 66 V 4.8115 8.6492 120.2097 59.4180 35.9873 175.3779 67 T 4.8810 8.6058 112.6614 61.5449 70.2133 173.8251 68 A 5.1043 9.0381 124.9966 50.3511 23.0040 174.8705 69 Y 4.4968 9.2486 122.7228 57.7982 40.3518 174.6814 70 I 4.5180 6.5547 126.3262 58.1489 37.0473 173.7741 71 P 4.4714 0.0000 0.0000 63.0916 32.1661 177.9253 72 G 3.9489 8.7774 103.5413 45.8274 0.0000 173.9250 73 E 4.0555 8.4572 119.3387 59.1914 30.2185 179.2168 74 G 3.9394 7.7428 105.5732 46.1073 0.0000 169.5626 75 H 4.2853 7.9554 120.9414 55.1573 31.9614 176.1380 76 N 5.1123 8.3523 126.4509 51.7098 36.9633 173.9499 77 L 4.7587 7.8830 117.3401 53.6680 44.9558 176.3909 78 Q 4.6893 8.8543 121.4949 53.4184 32.2833 175.7649 79 E 3.9601 8.7577 118.8976 59.2930 29.4545 176.6845 80 H 5.0739 7.8003 111.9445 55.9220 31.6596 173.4696 81 S 4.4240 8.3130 116.5605 58.8218 63.8429 173.8562 82 V 4.5296 9.7340 125.6700 62.6828 32.8233 175.0897 83 V 5.0166 8.7552 124.9975 60.8633 35.4376 172.0707 84 L 5.1291 8.4953 123.2847 53.5883 44.1668 175.1989 85 I 4.8112 9.1466 127.8526 60.8097 38.3827 176.4462 86 R 4.8058 9.6121 121.1046 55.0422 31.2852 174.1427 87 G 4.0591 8.3074 112.8301 45.2803 0.0000 171.1128 88 G 3.0530 7.9072 108.8147 43.7747 0.0000 173.9580 89 R 4.4128 8.0535 123.8494 55.1698 30.7764 175.6338 90 V 4.1301 8.1239 117.8893 60.6555 32.5513 176.4318 91 K 4.0098 8.6170 128.8282 59.2733 32.3598 177.0826 92 D 4.5172 7.9246 116.7134 54.6906 41.3854 175.4293 93 L 4.7554 7.2762 118.4673 51.6784 42.4518 173.9595 94 P 4.2682 0.0000 0.0000 63.8471 31.8136 177.4088 95 G 3.8474 9.0425 109.6198 45.3642 0.0000 173.5203 96 V 4.2707 7.5699 120.0838 61.3510 31.9577 175.5439 97 R 4.5094 8.4046 124.3506 55.7291 31.0963 175.2349 98 Y 5.3016 7.6241 115.3573 56.6893 42.5193 173.8999 99 H 5.3118 8.6605 116.2419 54.4874 31.8279 173.7601 100 I 4.6970 8.3733 122.4276 59.9970 38.3209 175.9520 101 V 3.8005 8.6156 128.2062 62.8359 31.9334 175.5844 102 R 4.3539 8.4677 126.9829 56.3852 31.3071 176.6068 103 G 4.0095 9.1729 110.3511 45.0428 0.0000 173.4660 104 V 4.0540 6.8915 118.5770 61.8332 34.7035 175.8813 105 Y 3.8642 8.3915 123.7289 58.7951 35.3440 171.0801 106 D 4.4429 8.7134 126.2523 55.8937 40.4002 176.3017 107 A 4.4937 7.9920 124.3659 49.7801 19.0207 176.8673 108 A 4.3840 8.9772 124.6547 53.0845 19.1785 177.0300 109 G 4.1277 8.2771 106.6893 44.0176 0.0000 173.6940 110 V 3.5432 7.7782 122.3106 62.0375 31.6141 175.4836 111 K 4.2034 8.8066 129.2231 56.5803 33.8069 176.5953 112 D 4.5509 8.7617 123.7007 54.8258 38.1669 173.7780 113 R 4.1067 7.4178 120.6311 56.0292 29.9019 176.2462 114 K 4.5236 8.6212 123.9818 56.1335 34.8576 177.0135 115 K 4.0880 8.2228 117.1967 57.3041 32.0005 178.6251 116 S 4.6030 8.8838 123.1031 58.4811 62.7360 176.0329 117 R 4.0641 8.1723 122.4879 59.5111 30.5040 179.8064 118 S 4.1329 8.1926 110.8990 60.8627 62.7796 174.8879 119 K 4.0369 7.7211 119.9461 56.7337 32.3148 177.1750 120 Y 3.7546 8.1588 118.3098 57.7296 35.8957 169.4797 121 G 4.0070 7.0593 108.2732 47.0785 0.0000 174.1657 122 T 4.5937 7.8451 114.0294 61.2585 70.3973 175.5664 123 K 4.0107 8.5562 126.0756 56.0789 32.7185 176.5881 124 K 4.1164 8.3662 122.4147 55.4684 32.4797 175.2354 125 P 4.5522 0.0000 0.0000 61.8358 32.2970 175.7557 126 K 4.1996 8.4101 119.2882 56.3555 33.3744 176.0141 127 E 4.5255 8.8537 120.8232 53.4869 31.4294 175.2952 128 A 4.0527 8.1480 122.7954 52.3907 21.7002 176.2744 *129 A 4.1172 8.2477 120.5381 52.7637 18.9464 176.7422 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 P 0.00 4.49 0.00 2.19 2.13 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 6 T 8.72 3.80 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 1.26 0.00 0.00 7 I 8.48 3.65 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 1.52 0.88 0.91 0.00 0.00 8 N 8.22 4.22 0.00 2.82 2.83 0.00 0.00 7.18 7.12 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 9 Q 8.34 4.01 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 10 L 8.14 3.97 0.00 1.77 1.72 0.92 0.94 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 11 V 8.05 3.53 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 0.83 0.00 0.00 0.97 0.00 0.00 12 R 8.13 4.05 0.00 1.93 1.99 0.00 3.19 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 13 K 8.66 4.38 0.00 1.66 1.84 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.42 7.81 14 G 7.40 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 15 R 8.31 3.97 0.00 1.81 1.88 0.00 3.33 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 16 E 8.30 4.38 0.00 1.89 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 2.19 2.29 0.00 17 K 8.57 3.99 0.00 1.78 1.77 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.43 7.81 18 V 8.14 4.20 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 0.81 0.00 0.00 1.05 0.00 0.00 19 R 8.23 4.66 0.00 1.81 1.81 0.00 3.24 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 20 K 8.21 4.59 0.00 1.72 1.70 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.36 7.81 21 K 8.14 4.49 0.00 1.72 1.72 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.48 7.81 22 S 8.43 4.19 0.00 3.82 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.47 4.34 0.00 1.71 1.73 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.37 7.81 24 V 7.72 4.40 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 0.96 0.00 0.00 0.80 0.00 0.00 25 P 0.00 4.46 0.00 2.06 1.95 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 26 A 7.55 4.34 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 27 L 7.49 3.18 0.00 1.67 1.06 1.06 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.61 3.72 0.00 1.75 1.81 0.00 1.98 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.47 7.81 29 G 10.01 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 30 A 7.32 4.32 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.15 0.00 1.47 1.94 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 32 F 7.48 5.18 0.00 2.95 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 33 R 8.93 4.72 0.00 1.89 1.67 0.00 3.17 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 34 R 8.82 4.81 0.00 2.11 1.81 0.00 2.79 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 35 G 8.84 4.43 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 0.00 36 V 8.49 4.97 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 1.01 0.00 0.00 0.91 0.00 0.00 37 C 8.84 4.66 0.00 3.02 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 38 T 9.29 4.45 4.39 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 1.25 0.00 0.00 39 V 7.45 4.40 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 0.94 0.00 0.00 0.93 0.00 0.00 40 V 7.80 5.01 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 0.92 0.00 0.00 0.92 0.00 0.00 41 R 7.58 4.35 0.00 1.95 1.85 0.00 3.21 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 42 T 8.26 4.91 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 43 V 9.47 4.70 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 0.96 0.00 0.00 0.98 0.00 0.00 44 T 8.31 5.04 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 45 P 0.00 4.84 0.00 2.12 2.07 0.00 3.66 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 46 K 8.12 4.23 0.00 1.77 1.90 0.00 1.34 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.35 7.81 47 K 9.52 3.69 0.00 1.80 1.71 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.36 1.48 7.81 48 P 0.00 4.18 0.00 2.22 2.15 0.00 3.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 49 N 7.73 4.98 0.00 2.82 2.77 0.00 0.00 6.74 7.73 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 50 S 7.80 4.49 0.00 3.78 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 51 A 7.68 4.47 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 52 L 8.04 4.94 0.00 1.54 1.65 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 53 R 9.24 4.35 0.00 1.99 2.11 0.00 3.16 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.80 0.00 54 K 8.57 4.68 0.00 1.51 1.58 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.51 7.81 55 V 8.10 5.14 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 0.86 0.00 0.00 1.06 0.00 0.00 56 A 8.42 4.76 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 0.00 0.00 0.00 0.00 0.00 57 K 9.02 4.37 0.00 1.94 1.81 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.54 7.81 58 V 9.22 4.75 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 0.90 0.00 0.00 1.01 0.00 0.00 59 R 8.81 4.88 0.00 2.03 1.80 0.00 3.15 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 60 L 9.47 4.89 0.00 1.73 1.65 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.74 3.87 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 1.23 0.00 0.00 62 S 7.99 4.26 0.00 4.01 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 63 G 8.37 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 64 Y 7.63 4.45 0.00 2.88 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 65 E 8.78 5.00 0.00 1.94 1.84 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 2.19 2.50 0.00 66 V 8.65 4.81 2.20 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 0.88 0.00 0.00 0.62 0.00 0.00 67 T 8.61 4.88 4.31 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 1.28 0.00 0.00 68 A 9.04 5.10 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 69 Y 9.25 4.50 0.00 2.96 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 70 I 6.55 4.52 1.50 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.59 0.65 0.00 0.00 71 P 0.00 4.47 0.00 2.58 2.48 0.00 3.76 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 2.13 2.16 0.00 72 G 8.78 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 73 E 8.46 4.06 0.00 1.89 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 2.28 2.26 0.00 74 G 7.74 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 75 H 7.96 4.29 0.00 3.16 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.35 5.11 0.00 2.83 2.79 0.00 0.00 6.11 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 77 L 7.88 4.76 0.00 1.78 1.63 0.78 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.85 4.69 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 79 E 8.76 3.96 0.00 1.83 1.75 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 2.25 2.32 0.00 80 H 7.80 5.07 0.00 3.03 3.19 0.00 5.76 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.31 4.42 0.00 3.82 3.82 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 82 V 9.73 4.53 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 0.66 0.00 0.00 0.93 0.00 0.00 83 V 8.76 5.02 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 0.64 0.00 0.00 0.98 0.00 0.00 84 L 8.50 5.13 0.00 1.54 1.36 1.03 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.15 4.81 1.99 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.42 0.92 0.00 0.00 86 R 9.61 4.81 0.00 2.23 2.30 0.00 3.25 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.66 0.00 87 G 8.31 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 88 G 7.91 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 0.00 0.00 0.00 89 R 8.05 4.41 0.00 2.06 1.83 0.00 3.00 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 90 V 8.12 4.13 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 0.70 0.00 0.00 0.45 0.00 0.00 91 K 8.62 4.01 0.00 1.70 1.78 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.38 7.81 92 D 7.92 4.52 0.00 2.76 2.65 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 0.00 0.00 0.00 0.00 93 L 7.28 4.76 0.00 1.69 1.60 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.27 0.00 2.04 1.98 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 95 G 9.04 3.85 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 0.00 0.00 0.00 96 V 7.57 4.27 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 1.12 0.00 0.00 1.05 0.00 0.00 97 R 8.40 4.51 0.00 1.06 1.38 0.00 3.10 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 98 Y 7.62 5.30 0.00 2.94 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 99 H 8.66 5.31 0.00 3.26 3.32 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.37 4.70 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.57 0.92 0.00 0.00 101 V 8.62 3.80 1.92 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 0.54 0.00 0.00 0.85 0.00 0.00 102 R 8.47 4.35 0.00 1.79 1.87 0.00 3.50 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 103 G 9.17 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 0.00 104 V 6.89 4.05 1.66 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 -0.39 0.00 0.00 0.61 0.00 0.00 105 Y 8.39 3.86 0.00 3.28 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 0.00 106 D 8.71 4.44 0.00 2.93 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.99 4.49 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 0.00 108 A 8.98 4.38 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 0.00 109 G 8.28 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 0.00 0.00 0.00 0.00 110 V 7.78 3.54 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 0.64 0.00 0.00 0.92 0.00 0.00 111 K 8.81 4.20 0.00 1.92 1.64 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.53 7.81 112 D 8.76 4.55 0.00 2.87 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 0.00 113 R 7.42 4.11 0.00 2.00 1.88 0.00 3.45 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 114 K 8.62 4.52 0.00 1.76 1.82 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.61 7.81 115 K 8.22 4.09 0.00 1.76 1.61 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.44 7.81 116 S 8.88 4.60 0.00 4.17 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 0.00 117 R 8.17 4.06 0.00 1.90 2.21 0.00 3.30 0.00 0.00 3.41 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.71 0.00 118 S 8.19 4.13 0.00 3.95 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 0.00 119 K 7.72 4.04 0.00 1.33 1.11 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.28 1.30 7.81 120 Y 8.16 3.75 0.00 3.31 3.10 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 0.00 121 G 7.06 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 0.00 122 T 7.85 4.59 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 1.30 0.00 0.00 123 K 8.56 4.01 0.00 1.74 1.76 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.44 7.81 124 K 8.37 4.12 0.00 1.72 1.73 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.43 7.81 125 P 0.00 4.55 0.00 2.22 2.04 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 126 K 8.41 4.20 0.00 1.87 1.86 0.00 1.43 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.48 7.81 127 E 8.85 4.53 0.00 2.08 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 2.19 2.28 0.00 128 A 8.15 4.05 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 *129 A 8.25 4.12 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 * Residues marked with a * may have inaccurate shift predictions.