NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4706 8.2893 118.1977 55.0249 33.3868 176.2673 2 E 4.2757 7.8869 118.3760 53.5500 28.4826 173.1707 3 H 3.9923 9.1541 116.9603 58.1188 30.5170 176.9146 4 D 4.5102 7.8500 119.6988 53.5300 40.8550 176.0911 5 E 4.1205 8.7031 124.5177 56.8009 30.0769 176.5782 6 R 4.6731 8.1329 117.6897 54.9872 32.4460 174.4971 7 T 4.4410 8.1390 109.4750 60.4972 70.7428 173.4519 8 H 4.5106 8.4894 121.7974 55.3367 30.6169 174.9845 9 V 4.1329 7.7635 126.2682 59.9746 31.4182 172.8541 10 P 4.1230 0.0000 0.0000 62.4951 31.6748 176.4256 11 V 4.2746 8.1141 122.4262 61.0263 32.4005 174.8333 12 E 4.2628 8.9049 128.0819 58.4872 30.1660 177.5279 13 L 4.9816 8.2332 118.3793 52.8651 45.6969 176.2231 14 R 5.1818 8.5467 119.5638 54.4725 34.4869 174.0265 15 A 5.2974 9.1890 123.8363 50.1884 22.9961 174.8226 16 A 5.2299 9.0957 120.9503 50.6559 23.1418 175.8698 17 G 4.4372 9.3050 108.0346 45.5247 0.0000 171.6312 18 V 5.0912 8.3414 111.7338 59.7409 36.0805 176.6431 19 V 4.0096 8.8273 124.6284 61.6242 32.1385 173.8888 20 L 5.0647 8.1081 130.1941 53.0868 43.1713 174.7966 21 L 5.9955 8.8644 126.2556 52.5087 44.5855 176.5425 22 N 4.8143 8.3345 119.4844 51.4585 39.6985 175.2587 23 E 4.2274 8.6204 116.4320 59.2511 29.5023 178.1132 24 R 4.2595 8.1020 115.5663 56.0998 30.7484 177.0988 25 G 2.8842 7.5354 106.3643 44.4321 0.0000 173.5314 26 D 4.7134 8.1744 119.8571 54.1346 42.2925 175.0640 27 I 4.5923 8.4332 121.8670 59.1055 40.5824 174.0922 28 L 4.2271 8.1378 131.1972 54.2143 42.4455 175.7638 29 L 5.1332 8.9445 126.1832 52.9187 45.9520 175.4885 30 V 4.8085 9.2216 121.4141 61.2230 34.4476 173.9548 31 Q 4.2276 8.5370 128.9135 53.9135 30.9275 174.8828 32 E 4.4467 8.5664 125.5780 55.6226 30.9813 176.4433 33 K 4.2823 8.2126 124.5760 53.6164 30.1462 175.5847 34 G 4.0768 8.0132 108.6405 45.8863 0.0000 170.8918 35 I 2.9663 7.9584 105.7773 61.7969 37.0095 173.0417 *39 P 4.1168 0.0000 0.0000 63.4569 32.2131 176.3986 40 E 3.7201 8.2329 119.6472 57.8850 31.0024 176.0634 41 K 3.9760 8.5886 118.8169 57.0217 32.9037 175.5167 42 A 3.5551 8.6392 124.4086 52.3797 15.1529 177.1392 43 G 4.0199 7.8844 106.4990 46.0260 0.0000 170.7690 44 L 4.7010 8.6303 121.0589 53.9329 43.7680 175.8517 45 W 5.3551 9.2133 120.6421 55.6830 31.9005 175.1188 46 H 5.3976 9.1630 118.2423 54.1095 32.1311 172.5497 47 I 4.4028 8.4230 112.3003 59.8144 38.9893 173.9725 48 P 4.5901 0.0000 0.0000 63.1242 31.9860 175.4081 49 S 4.9882 8.8237 117.4500 57.8857 66.0445 173.6512 50 G 4.6614 8.8586 110.9233 45.5612 0.0000 171.8501 51 A 4.6173 8.4921 121.8712 51.9596 19.0624 177.3210 52 V 4.1806 8.6389 122.5816 61.5291 32.7167 176.0735 53 E 4.0886 9.3295 127.9472 55.8993 30.0271 176.0042 54 D 4.5596 8.4788 122.0774 55.9464 41.5585 176.2719 55 G 4.0625 9.0628 115.5556 45.2296 0.0000 173.3021 56 E 4.2370 7.6295 116.8685 55.1206 30.9063 176.5278 57 N 4.3521 8.4979 119.0198 53.2883 40.0519 174.1474 58 P 4.2460 0.0000 0.0000 65.6394 31.3355 178.4651 59 Q 2.5200 8.0635 118.5004 58.6853 28.7836 178.0120 60 D 4.1684 7.9724 119.2169 57.1157 40.8844 178.3948 61 A 3.8943 7.9179 121.1688 54.9946 18.3409 179.5137 62 A 4.1114 7.8674 119.2975 55.3024 18.2992 180.1002 63 V 3.4434 7.3515 116.7720 65.9045 31.5017 178.2607 64 R 3.8122 8.1278 118.6622 59.5582 30.1122 178.2504 65 E 3.9063 8.5868 118.5285 59.4035 29.4704 179.2072 66 A 3.9806 7.9442 120.7120 55.3256 18.3720 179.3293 67 C 4.5169 7.7613 118.3957 62.1526 31.4525 175.5017 68 E 3.9302 8.1811 119.3526 59.5342 29.3671 178.8136 69 E 4.1826 8.5150 118.5225 58.0441 29.8208 178.0803 70 T 4.4227 8.1174 107.8078 60.5810 69.9807 175.9667 71 G 3.9223 8.3479 109.8863 45.3375 0.0000 173.0057 72 L 4.6061 7.5518 120.3719 52.9634 43.4016 175.7339 73 R 4.5564 8.3779 123.1146 55.9715 31.1561 176.1389 74 V 4.9848 8.3649 115.8514 59.5726 36.0681 174.9282 75 R 4.7187 8.9918 121.7959 53.5657 32.6261 173.7630 76 P 4.6238 0.0000 0.0000 63.2202 31.4750 176.0138 77 V 4.1972 9.0509 124.3767 64.4242 32.9268 175.8871 78 K 4.7117 7.7415 118.3861 55.1185 35.4805 174.2335 79 F 3.8063 9.1482 129.3378 58.4662 39.4625 174.3384 80 L 4.2469 7.6936 125.9087 54.5753 43.2884 176.8351 81 G 3.8975 5.3800 104.7231 46.0826 0.0000 171.1684 82 A 5.3335 8.3971 120.6107 50.4282 22.2472 175.0296 83 Y 4.9847 8.6434 117.8763 55.3203 42.2369 173.5286 84 L 5.0383 8.7721 121.9896 53.3978 44.2612 175.5093 85 G 4.2597 8.8603 111.8834 44.3658 0.0000 171.2207 86 R 4.9943 8.0691 119.7090 54.2471 32.8475 175.2109 87 F 4.4857 9.1430 125.4428 56.2799 39.8337 174.6225 88 P 4.4038 0.0000 0.0000 65.8936 31.1056 177.3269 89 D 4.5451 8.1388 114.6001 53.7119 39.6380 177.0193 90 G 3.9912 8.4987 109.7251 45.0140 0.0000 174.2143 91 V 3.9838 8.2015 121.2684 63.1214 32.7082 174.8593 92 L 5.0527 9.1978 128.0364 53.7180 43.8668 175.4156 93 I 5.0294 8.6351 122.6522 59.1681 41.4503 173.4673 94 L 4.8986 8.8631 131.7764 53.5776 43.9456 174.9590 95 R 4.8255 8.3632 126.3540 55.1681 31.9710 175.2161 96 H 5.2545 9.3721 121.0821 53.9748 32.0406 173.5725 97 V 4.7349 7.9195 121.3615 60.8609 34.6161 174.1963 98 W 4.9986 8.9142 126.8398 54.5409 33.0225 174.4189 99 L 4.7692 9.3082 125.6162 54.9611 42.6558 175.5766 100 A 5.3161 9.0629 126.5343 50.4120 23.5022 174.3171 101 E 4.9115 8.9076 117.7860 53.8724 33.5820 174.0682 102 P 4.9561 0.0000 0.0000 62.4265 32.6666 175.8287 103 E 4.3920 8.7938 121.6249 55.3804 30.1829 175.2290 104 P 4.3622 0.0000 0.0000 63.3645 32.1840 175.4805 105 G 3.9273 8.5572 104.2267 47.2757 0.0000 173.5179 106 Q 4.7431 8.0013 115.4394 53.8771 32.5442 175.3557 107 T 4.5961 8.1314 116.1629 61.2419 71.0044 174.0875 108 L 4.0865 8.6497 128.1602 55.4237 42.5245 176.9932 109 A 4.6939 8.4498 127.8660 49.2320 19.1116 173.4302 110 P 4.3237 0.0000 0.0000 62.4334 32.7507 176.0047 111 A 4.1014 8.0624 124.9736 50.4490 19.3632 177.3680 112 F 4.7018 8.0589 121.8782 57.9737 39.5576 175.3137 113 T 4.7544 8.3557 115.9774 60.0914 71.5847 173.9381 114 D 4.6232 8.7286 119.3879 56.1460 40.7281 176.8321 115 E 4.5156 8.3531 118.2805 55.9816 31.7696 175.6027 116 I 4.8255 7.3585 118.7739 59.3262 39.5406 176.1975 117 A 4.0595 9.0379 129.7940 54.0201 18.9771 176.3826 118 E 5.2906 7.3693 111.2506 56.7842 32.4130 175.2550 119 A 5.3827 8.5376 119.8819 51.1118 22.3508 175.4945 120 S 4.6002 9.1829 113.5579 57.6369 66.9382 174.1309 121 F 4.8495 8.8354 119.7500 56.9516 39.8834 175.5006 122 V 4.5582 8.8477 123.2629 60.7629 34.6375 175.5155 123 S 5.1739 8.5609 120.9414 57.3899 64.2513 175.2839 124 R 4.0717 8.7321 120.0965 59.6063 29.5900 179.1315 125 E 4.0106 8.1605 117.6598 59.7581 29.5117 179.1306 126 D 4.4197 8.1798 118.5684 56.8632 40.7696 178.6591 127 F 3.9863 8.6524 121.7195 61.1392 39.4617 176.8730 128 A 4.1450 8.3562 120.4585 55.3936 18.0865 179.7279 129 Q 3.9378 7.8385 116.4274 59.0614 28.7386 178.7417 130 L 3.8772 8.0209 120.3020 57.8895 41.6185 179.0544 131 Y 3.7668 8.0623 119.4479 60.6553 38.5570 177.8974 132 A 3.9309 7.9115 120.0425 54.9086 18.5668 178.6741 133 A 4.1974 7.9940 116.6510 51.9562 18.6976 177.4966 134 G 3.6668 7.7012 105.2532 46.9563 0.0000 174.5516 135 Q 4.5454 8.3003 116.9374 55.3913 30.3383 175.3782 136 I 4.7241 7.5120 120.9389 59.8670 37.7084 175.1763 137 R 4.1326 8.8031 128.9225 59.3253 30.3130 176.4153 138 M 4.6489 8.0247 118.9631 53.2686 33.8709 176.4932 139 Y 4.5028 8.5344 123.1969 60.1998 37.9585 178.3109 140 Q 3.7847 7.3982 119.4565 58.8984 28.5002 178.6806 141 T 4.0654 8.1344 117.2801 66.6393 68.4623 176.3722 142 K 4.1193 8.3918 121.4943 59.4013 32.1973 178.8254 143 L 3.8105 7.7851 118.7766 57.9830 41.5221 179.4782 144 F 4.6342 8.1723 119.1447 59.8800 38.7077 177.2906 145 Y 4.2192 8.4071 119.5148 60.5672 38.5217 177.8096 146 A 3.7746 8.1577 121.8509 55.1995 17.9586 179.3168 147 D 4.2770 8.0841 117.1379 57.4743 40.9441 178.9069 148 A 4.1214 8.4765 121.5926 55.1796 18.4194 179.6090 149 L 4.1660 8.2481 117.7150 58.1788 41.5317 180.0474 150 R 3.9535 8.0405 117.9218 59.2428 29.7579 178.9532 151 E 4.0716 8.1546 117.4244 59.4569 29.6027 179.2823 152 K 4.1662 8.0870 116.8732 57.3561 32.2458 178.2503 153 G 3.8342 7.4958 105.3525 45.1486 0.0000 173.5666 154 F 4.5887 7.6296 117.8319 55.7735 39.7479 173.8525 155 P 4.3787 0.0000 0.0000 62.4364 31.6981 176.5557 156 A 4.2385 8.1281 123.4541 51.1697 19.3067 177.6088 157 L 4.0027 7.9555 119.3909 53.9476 42.3011 176.1196 158 P 4.3994 0.0000 0.0000 63.2882 31.2514 176.1872 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.47 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 2 E 7.89 4.28 0.00 2.08 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 2.17 2.43 0.00 3 H 9.15 3.99 0.00 3.34 3.46 0.00 5.54 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 7.85 4.51 0.00 2.69 2.68 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 5 E 8.70 4.12 0.00 1.96 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 2.32 2.31 0.00 6 R 8.13 4.67 0.00 1.87 1.85 0.00 3.20 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 7 T 8.14 4.44 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 8 H 8.49 4.51 0.00 3.08 3.26 0.00 5.88 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.76 4.13 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 0.88 0.00 0.00 0.92 0.00 0.00 10 P 0.00 4.12 0.00 2.09 2.02 0.00 3.66 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 2.16 0.00 11 V 8.11 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 0.93 0.00 0.00 0.97 0.00 0.00 12 E 8.90 4.26 0.00 1.92 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 2.34 2.43 0.00 13 L 8.23 4.98 0.00 1.69 1.59 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.55 5.18 0.00 1.74 1.81 0.00 3.10 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 15 A 9.19 5.30 1.20 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 0.00 0.00 0.00 16 A 9.10 5.23 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 17 G 9.30 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.34 5.09 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 0.76 0.00 0.00 0.95 0.00 0.00 19 V 8.83 4.01 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 0.92 0.00 0.00 0.96 0.00 0.00 20 L 8.11 5.06 0.00 1.73 1.49 1.17 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.86 6.00 0.00 1.67 1.55 1.10 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.33 4.81 0.00 2.65 2.41 0.00 0.00 6.18 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.62 4.23 0.00 1.99 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 2.32 2.29 0.00 24 R 8.10 4.26 0.00 1.95 1.90 0.00 3.16 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 25 G 7.54 2.88 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 26 D 8.17 4.71 0.00 2.74 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 27 I 8.43 4.59 0.56 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.23 0.31 0.00 0.00 28 L 8.14 4.23 0.00 0.73 1.25 0.30 0.61 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 29 L 8.94 5.13 0.00 1.65 1.87 0.99 0.58 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 30 V 9.22 4.81 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 1.00 0.00 0.00 0.99 0.00 0.00 31 Q 8.54 4.23 0.00 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 1.67 1.25 0.00 32 E 8.57 4.45 0.00 1.85 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 33 K 8.21 4.28 0.00 1.73 1.70 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.40 7.81 34 G 8.01 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 0.00 0.00 0.00 35 I 7.96 2.97 1.87 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 1.40 0.54 0.91 0.00 0.00 *39 P 0.00 4.12 0.00 2.09 2.11 0.00 3.82 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 1.92 2.08 0.00 40 E 8.23 3.72 0.00 2.20 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 0.00 2.26 2.21 0.00 41 K 8.59 3.98 0.00 1.82 1.86 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.40 7.81 42 A 8.64 3.56 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 43 G 7.88 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 0.00 0.00 0.00 44 L 8.63 4.70 0.00 1.78 1.78 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 45 W 9.21 5.36 0.00 3.28 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 46 H 9.16 5.40 0.00 3.26 3.47 0.00 5.45 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 47 I 8.42 4.40 2.14 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.66 0.97 0.00 0.00 48 P 0.00 4.59 0.00 2.09 2.02 0.00 3.85 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 2.06 2.05 0.00 49 S 8.82 4.99 0.00 3.84 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.86 4.66 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 0.00 0.00 0.00 51 A 8.49 4.62 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 52 V 8.64 4.18 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 0.77 0.00 0.00 0.93 0.00 0.00 53 E 9.33 4.09 0.00 2.02 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 2.56 2.37 0.00 54 D 8.48 4.56 0.00 2.62 2.59 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 0.00 55 G 9.06 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 56 E 7.63 4.24 0.00 2.08 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 2.39 2.21 0.00 57 N 8.50 4.35 0.00 2.74 2.84 0.00 0.00 7.02 7.71 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 58 P 0.00 4.25 0.00 2.41 1.99 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 59 Q 8.06 2.52 0.00 1.71 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 1.72 1.16 0.00 60 D 7.97 4.17 0.00 2.78 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 61 A 7.92 3.89 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 62 A 7.87 4.11 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 63 V 7.35 3.44 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 0.98 0.00 0.00 0.76 0.00 0.00 64 R 8.13 3.81 0.00 1.85 2.01 0.00 3.22 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 65 E 8.59 3.91 0.00 2.03 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 2.43 2.54 0.00 66 A 7.94 3.98 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 67 C 7.76 4.52 0.00 2.93 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 68 E 8.18 3.93 0.00 2.09 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 2.32 2.45 0.00 69 E 8.51 4.18 0.00 1.98 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 2.29 2.50 0.00 70 T 8.12 4.42 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 1.17 0.00 0.00 71 G 8.35 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 72 L 7.55 4.61 0.00 1.76 1.63 1.05 0.92 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 73 R 8.38 4.56 0.00 1.88 1.90 0.00 3.21 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 74 V 8.36 4.98 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 0.81 0.00 0.00 0.92 0.00 0.00 75 R 8.99 4.72 0.00 1.69 1.81 0.00 3.13 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 76 P 0.00 4.62 0.00 1.92 1.79 0.00 3.70 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.77 0.00 77 V 9.05 4.20 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 0.81 0.00 0.00 1.12 0.00 0.00 78 K 7.74 4.71 0.00 1.93 1.66 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.48 1.51 7.81 79 F 9.15 3.81 0.00 2.92 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 80 L 7.69 4.25 0.00 1.12 1.64 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 81 G 5.38 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 82 A 8.40 5.33 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 83 Y 8.64 4.98 0.00 3.08 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 84 L 8.77 5.04 0.00 1.65 1.60 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.86 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 0.00 0.00 0.00 0.00 86 R 8.07 4.99 0.00 1.74 1.73 0.00 3.25 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 87 F 9.14 4.49 0.00 3.28 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 88 P 0.00 4.40 0.00 2.10 2.19 0.00 3.89 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 89 D 8.14 4.55 0.00 2.79 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.50 3.99 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 0.00 0.00 0.00 91 V 8.20 3.98 2.40 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 1.14 0.00 0.00 0.99 0.00 0.00 92 L 9.20 5.05 0.00 1.78 1.55 0.98 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.64 5.03 2.09 0.00 0.00 1.00 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 1.69 0.69 0.00 0.00 94 L 8.86 4.90 0.00 1.77 1.52 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.36 4.83 0.00 0.67 1.42 0.00 3.01 0.00 0.00 2.68 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.29 0.00 96 H 9.37 5.25 0.00 3.30 3.08 0.00 5.57 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 97 V 7.92 4.73 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 0.64 0.00 0.00 0.50 0.00 0.00 98 W 8.91 5.00 0.00 3.39 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 99 L 9.31 4.77 0.00 1.79 1.77 1.08 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 100 A 9.06 5.32 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 0.00 101 E 8.91 4.91 0.00 1.95 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 2.30 2.29 0.00 102 P 0.00 4.96 0.00 2.15 2.17 0.00 3.84 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 2.03 2.10 0.00 103 E 8.79 4.39 0.00 2.04 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 2.35 2.44 0.00 104 P 0.00 4.36 0.00 2.18 2.07 0.00 3.92 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 105 G 8.56 3.93 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 0.00 0.00 0.00 106 Q 8.00 4.74 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.62 0.00 0.00 0.00 0.00 0.00 2.26 2.52 0.00 107 T 8.13 4.60 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 1.25 0.00 0.00 108 L 8.65 4.09 0.00 1.76 1.70 0.97 1.10 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 0.00 109 A 8.45 4.69 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.32 0.00 1.43 1.84 0.00 3.61 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 111 A 8.06 4.10 1.18 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 0.00 0.00 112 F 8.06 4.70 0.00 3.10 2.96 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 0.00 113 T 8.36 4.75 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 1.24 0.00 0.00 114 D 8.73 4.62 0.00 2.67 2.76 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 0.00 115 E 8.35 4.52 0.00 1.98 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 2.22 2.38 0.00 116 I 7.36 4.83 2.04 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 1.23 1.28 0.90 0.00 0.00 117 A 9.04 4.06 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 7.37 5.29 0.00 2.30 2.30 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 2.19 2.30 0.00 119 A 8.54 5.38 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 0.00 120 S 9.18 4.60 0.00 3.88 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 0.00 121 F 8.84 4.85 0.00 2.97 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 0.00 122 V 8.85 4.56 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 1.02 0.00 0.00 0.57 0.00 0.00 123 S 8.56 5.17 0.00 4.06 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 0.00 124 R 8.73 4.07 0.00 1.86 1.97 0.00 2.99 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 1.47 1.68 0.00 125 E 8.16 4.01 0.00 2.07 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 2.41 2.48 0.00 126 D 8.18 4.42 0.00 2.72 2.67 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 0.00 127 F 8.65 3.99 0.00 3.38 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 0.00 128 A 8.36 4.15 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 0.00 129 Q 7.84 3.94 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 130 L 8.02 3.88 0.00 1.53 1.50 0.46 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 131 Y 8.06 3.77 0.00 2.65 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 0.00 132 A 7.91 3.93 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 0.00 133 A 7.99 4.20 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 0.00 134 G 7.70 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 0.00 135 Q 8.30 4.55 0.00 2.12 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.61 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 136 I 7.51 4.72 2.05 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.59 1.22 0.00 0.00 137 R 8.80 4.13 0.00 1.91 2.11 0.00 3.32 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 138 M 8.02 4.65 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.55 0.00 139 Y 8.53 4.50 0.00 3.46 3.40 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 0.00 140 Q 7.40 3.78 0.00 1.79 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 1.16 1.75 0.00 141 T 8.13 4.07 4.63 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 1.46 0.00 0.00 142 K 8.39 4.12 0.00 1.76 1.76 0.00 0.61 0.00 0.00 0.64 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.47 7.81 143 L 7.79 3.81 0.00 1.40 1.26 0.83 1.02 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 0.00 144 F 8.17 4.63 0.00 3.09 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 0.00 145 Y 8.41 4.22 0.00 2.79 2.76 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 0.00 146 A 8.16 3.77 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 0.00 147 D 8.08 4.28 0.00 2.99 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 0.00 148 A 8.48 4.12 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 4.17 0.00 1.77 1.73 0.24 1.15 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 0.00 150 R 8.04 3.95 0.00 2.04 1.97 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 151 E 8.15 4.07 0.00 2.17 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 2.51 2.54 0.00 152 K 8.09 4.17 0.00 1.91 1.62 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.28 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.80 1.90 7.81 153 G 7.50 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 F 7.63 4.59 0.00 3.09 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 P 0.00 4.38 0.00 2.06 2.00 0.00 3.84 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 156 A 8.13 4.24 1.18 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 0.00 0.00 157 L 7.96 4.00 0.00 1.53 1.57 0.79 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 4.40 0.00 2.05 2.01 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.