NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3829 8.0333 117.3806 63.8316 71.1228 175.8561 3 E 3.9166 7.8726 120.6314 58.5400 29.5186 177.5637 4 N 4.7457 8.4490 116.6545 55.8096 39.1121 176.6398 5 L 3.9982 7.8629 121.7769 57.9555 42.0355 177.9889 6 Y 3.9598 7.8045 118.8298 60.8318 38.7803 178.0197 7 F 4.3115 7.8089 116.8880 60.4342 39.2785 176.9638 8 Q 4.3138 8.5212 119.6041 59.2094 28.7454 179.6498 9 G 3.8050 8.2133 103.5952 45.5494 0.0000 175.2610 *11 S 4.4135 8.0061 118.5341 58.3792 65.0179 175.8978 12 D 4.3661 8.2227 120.0652 57.4932 40.3871 179.2593 13 V 3.5483 7.8910 118.5298 65.8896 31.6261 178.1435 14 I 3.8086 7.6245 119.0011 64.6687 37.0857 178.2159 15 E 4.1306 8.4601 119.5634 59.2384 29.2116 179.7274 16 G 3.6188 8.4047 106.1896 47.8282 0.0000 176.0648 17 R 3.9992 8.2957 120.6193 58.8231 30.0493 178.9416 18 L 4.0480 7.9283 120.1408 58.1198 42.1101 179.1657 19 K 4.3384 8.0821 119.8190 58.9977 31.7145 179.1731 20 E 4.0615 8.0289 118.1214 58.9372 29.4398 178.5253 21 L 4.3698 7.5123 116.8768 55.0216 42.0364 177.5660 22 G 3.8346 7.8458 107.2071 44.8502 0.0000 173.4077 23 F 4.9066 8.3521 118.8200 55.5326 41.5878 174.5940 24 T 4.6381 8.2629 114.3427 59.5374 70.7923 174.2622 25 L 4.2985 8.3086 123.9396 54.0282 43.7779 173.7121 26 P 4.5341 0.0000 0.0000 63.3581 29.9173 178.2941 *34 N 4.6990 9.2185 116.3198 52.2374 40.6191 173.3156 35 Y 4.9050 7.5370 114.9082 54.9420 39.5023 175.0866 36 V 4.3938 7.8967 113.4937 58.5511 35.1091 175.0201 37 P 4.7244 0.0000 0.0000 65.7342 32.1089 175.7362 38 F 5.5880 6.8726 110.9208 56.2122 40.9210 173.5371 39 T 4.9830 9.2365 109.6698 60.1846 72.6482 172.4884 40 I 5.1430 8.4804 122.2241 59.6736 40.6199 175.1000 41 S 4.5549 8.9996 120.8692 57.1426 65.4956 174.1618 42 G 3.8486 8.5078 118.6197 47.1872 0.0000 173.2970 43 N 4.9380 8.8939 120.9035 52.0057 37.5891 172.9493 44 L 5.0598 8.0593 118.9648 53.5210 44.6578 175.1402 45 L 5.0177 8.9156 126.0040 53.6455 44.4124 174.6684 46 Y 4.7385 9.1897 125.6976 56.9953 39.3181 174.7806 47 V 4.8667 8.7302 125.7933 61.0445 33.5150 175.6488 48 S 4.4842 9.1566 124.6721 58.2725 63.7488 174.4536 49 G 4.0231 8.7434 108.8687 46.7616 0.0000 172.5951 50 Q 4.8592 9.2942 124.6470 54.4276 31.2704 175.4383 51 L 5.1917 8.3911 122.7930 52.6418 44.3977 174.0300 52 P 4.4514 0.0000 0.0000 62.2905 33.2758 175.0441 *54 E 4.2340 8.5717 122.0390 57.3507 30.4439 175.7063 55 S 3.6695 9.6326 121.9392 59.8038 60.4754 173.0391 56 G 3.9433 8.5287 104.3164 45.8960 0.0000 174.1207 57 K 4.5459 7.7213 117.2150 53.8456 35.6998 176.4349 58 I 3.9214 8.2206 122.3457 61.2989 36.7619 176.2274 59 A 4.1167 8.9475 130.5942 54.0908 18.8284 177.6295 60 V 4.3586 7.6287 115.5103 61.4967 33.9175 174.0154 61 T 4.9516 8.5874 116.4208 60.4416 71.5155 173.6572 62 G 3.8597 9.0029 108.8614 44.7028 0.0000 172.1788 63 L 4.5413 8.7144 118.5198 53.3253 42.8639 177.0050 64 V 3.7448 8.5213 124.1300 63.9714 31.7686 176.9106 65 G 4.0433 9.0946 115.9464 45.3165 0.0000 172.9746 66 R 4.3960 7.2951 116.5635 57.3643 31.9859 175.4771 67 D 4.6429 8.5055 117.0105 54.9809 42.0724 177.3706 68 V 4.3518 7.2784 117.7221 60.1779 34.7024 174.5451 69 D 4.9989 8.2270 126.3217 51.9356 42.6121 177.6360 70 V 3.5555 8.1698 117.4565 66.1268 31.5782 177.3828 71 A 4.2675 7.9131 121.2439 54.9252 18.2528 179.7041 72 S 4.1153 8.7908 113.6593 61.6023 62.7872 176.8269 73 A 4.0222 8.2173 123.6446 55.0076 17.9523 179.6336 74 Q 4.1131 8.6684 117.1406 59.1972 28.7097 179.0576 75 R 4.4947 8.2319 120.3367 58.8009 30.0424 178.1328 76 A 3.9836 8.1688 120.4181 55.4307 18.2753 179.5536 77 A 3.9128 8.1723 119.1530 55.1546 18.3182 179.5285 78 E 3.7251 8.4789 117.5258 59.5968 29.5076 179.6645 79 L 3.8311 8.0576 118.8918 57.9360 41.6305 179.0869 80 C 4.0924 8.2596 116.6489 63.1048 28.0676 176.3142 81 A 3.8844 8.1054 122.1432 55.0603 17.9464 179.7905 82 V 3.4012 7.8976 117.1669 66.2444 31.5279 178.0804 83 N 4.3703 8.3564 116.3308 56.1094 38.2431 177.4108 84 I 3.6734 7.9461 121.4642 64.5538 37.1955 178.4301 85 L 3.9087 8.0815 119.5038 57.5660 41.3629 179.4072 86 A 3.9816 8.0883 120.7389 55.4251 18.2936 179.7774 87 Q 4.0129 8.0798 116.5021 59.0464 28.7848 179.1158 88 V 3.3370 8.0144 119.6397 65.6079 31.5121 177.8984 89 K 3.7852 8.3331 119.5302 59.4747 32.1137 178.4783 90 A 3.9626 7.8850 120.6705 55.2684 18.1082 179.3264 91 A 3.4697 7.5635 118.2463 54.3551 18.4220 178.8718 92 L 4.4432 7.5229 115.6294 53.6680 42.1988 176.4687 93 N 4.4333 9.0686 113.9395 54.7189 36.5184 175.4249 94 G 3.9859 8.6423 105.8845 45.2497 0.0000 174.5129 95 D 5.0078 7.5777 119.0724 51.0130 40.8945 176.1794 96 L 4.1404 8.0991 125.2384 56.4289 42.0380 179.4184 97 S 4.3424 7.9329 112.2424 60.3065 63.4907 175.0664 98 K 4.0733 8.1030 120.0091 57.0564 31.8843 176.4965 99 I 4.0953 7.3685 121.3013 61.3498 37.1489 176.0553 100 R 4.2222 8.8412 126.1527 58.7786 31.0236 177.6203 101 R 4.4551 7.3660 114.9310 55.2758 33.5318 173.8426 102 V 3.9890 8.6419 127.7280 63.1240 31.9478 176.6013 103 I 3.8420 8.6721 130.3078 63.9460 38.0625 176.3599 104 K 5.0922 7.7391 121.5745 55.0014 35.8892 174.1152 105 L 5.0713 8.8342 126.3207 52.9757 45.2009 175.0845 106 N 4.5914 8.8031 120.8857 51.5219 40.7816 174.1114 107 G 3.8866 8.6583 113.0948 44.5679 0.0000 171.8125 108 F 5.3901 8.9280 126.3978 55.6889 41.4056 175.2199 109 V 4.7744 8.8373 124.4322 60.6110 34.1104 174.5033 110 A 4.4830 9.0869 131.4483 52.4499 19.1346 176.2746 111 S 5.1147 8.5102 117.9512 56.8662 67.0055 174.8024 112 V 3.9978 8.4161 116.7293 60.5979 32.2561 175.8994 113 P 4.3560 0.0000 0.0000 65.0676 31.3520 177.5482 114 E 4.1920 8.1029 116.1614 57.2904 29.9434 176.1362 115 F 4.5903 8.1313 122.4427 57.6999 39.7484 175.3864 116 V 4.5168 7.4236 120.5338 60.0846 33.0142 175.4682 117 E 4.5460 5.9000 117.8289 55.5697 30.4750 178.5240 118 Q 4.2486 8.0751 120.4641 59.3988 28.7733 177.9002 119 H 4.3110 8.2838 115.7680 58.7889 28.3115 177.5891 120 L 3.9382 7.3202 120.2776 57.1988 41.8502 179.1504 121 V 3.7852 7.8186 118.1963 66.2826 31.5151 178.2841 122 I 3.8657 8.0809 119.1108 63.8467 36.8491 177.9234 123 N 4.3745 8.2721 118.0908 56.0652 37.9507 177.0859 124 G 3.8013 8.0548 106.9230 47.9847 0.0000 175.5515 125 A 3.9546 7.8472 122.8980 54.8575 18.6036 179.7126 126 S 4.1529 8.2876 113.9553 61.8857 62.8280 176.8012 127 N 4.3538 8.6404 119.5972 56.0842 38.2202 177.2800 128 L 3.9238 7.6178 121.4234 58.1914 42.2462 179.0410 129 I 3.6272 7.9403 119.6693 64.4722 37.0707 178.3953 130 A 4.0559 8.1833 121.5411 55.2762 17.9349 179.8668 131 T 3.8204 7.9497 113.7700 66.9719 68.6510 176.9999 132 V 3.8522 7.8829 112.9096 63.3342 31.8023 177.7304 133 L 4.4341 7.9898 116.7685 55.3824 42.9423 178.8384 134 G 3.8145 8.5620 107.9025 45.5236 0.0000 174.8582 135 E 3.9783 8.8839 117.4141 59.1966 29.8170 177.5481 136 P 4.3398 0.0000 0.0000 65.0887 31.5140 178.4030 137 G 3.6282 8.2043 106.6859 47.3758 0.0000 174.1473 138 R 4.1390 7.7890 120.4789 56.1350 30.5786 175.4776 139 H 5.3132 8.2341 116.6756 52.3587 32.1348 172.9021 140 A 4.3496 8.6064 121.5730 52.4687 19.6768 176.3042 141 R 5.6503 8.3555 116.9904 56.0699 33.2414 173.8470 142 A 4.9010 8.4767 124.0354 50.0403 22.9150 174.8606 143 A 5.0198 8.4747 121.1936 50.4419 21.7334 175.9146 144 V 4.5508 8.8979 115.0777 59.9776 36.6288 175.0014 145 G 4.6071 8.6711 109.2366 44.3534 0.0000 173.4280 *147 A 4.4558 8.5029 122.6711 51.7091 20.3869 176.7746 148 S 4.6138 7.2151 107.0703 58.4004 65.1014 175.3052 149 L 4.8143 7.4696 119.0107 51.9214 45.7598 174.3587 150 P 4.1667 0.0000 0.0000 64.5911 31.6194 176.8749 151 F 3.5256 8.8181 118.5552 58.0395 36.6054 174.7303 152 N 4.2100 8.2372 116.3403 54.1987 37.6841 173.7400 153 A 4.4914 7.9052 118.5166 52.3743 19.0024 179.0535 154 S 4.5571 8.6466 117.3118 60.3280 64.1260 174.6033 155 V 5.0349 7.5973 117.5820 61.2451 34.6119 173.8710 156 E 5.0937 9.5257 127.2763 54.6360 33.3819 174.2342 157 I 4.9872 8.9442 126.4934 59.6882 41.6212 174.4017 158 D 5.3578 8.7263 125.5927 51.9510 42.8035 174.6748 159 A 5.0691 8.4472 118.8144 50.6887 23.3242 175.1993 160 I 4.6009 8.5799 120.6095 59.3017 40.6304 174.9178 161 V 4.7241 8.6366 126.7506 60.8797 34.6607 173.8632 162 E 4.8394 9.3130 130.1153 55.7688 30.6305 175.2362 163 I 5.0626 8.4134 119.8775 58.8591 41.1021 174.8284 164 D 4.5338 9.1628 124.2961 54.2371 41.1226 177.2190 165 V 3.9678 8.1582 116.3188 61.4804 32.4768 175.5851 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 T 8.03 4.38 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 1.19 0.00 0.00 3 E 7.87 3.92 0.00 2.18 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 2.40 2.41 0.00 4 N 8.45 4.75 0.00 2.82 2.96 0.00 0.00 6.81 6.74 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 5 L 7.86 4.00 0.00 1.79 1.86 0.97 0.86 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 6 Y 7.80 3.96 0.00 2.81 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 7 F 7.81 4.31 0.00 3.20 3.28 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 8 Q 8.52 4.31 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 9 G 8.21 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *11 S 8.01 4.41 0.00 4.10 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 12 D 8.22 4.37 0.00 2.87 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 13 V 7.89 3.55 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 1.07 0.00 0.00 0.89 0.00 0.00 14 I 7.62 3.81 2.00 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 1.80 0.91 0.90 0.00 0.00 15 E 8.46 4.13 0.00 2.00 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 2.33 2.45 0.00 16 G 8.40 3.62 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 0.00 0.00 0.00 17 R 8.30 4.00 0.00 2.03 2.00 0.00 3.28 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 18 L 7.93 4.05 0.00 1.82 1.89 0.92 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.08 4.34 0.00 2.02 1.85 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.54 7.81 20 E 8.03 4.06 0.00 2.16 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 0.00 2.35 2.59 0.00 21 L 7.51 4.37 0.00 2.00 1.97 0.99 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.85 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 23 F 8.35 4.91 0.00 3.08 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 24 T 8.26 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 25 L 8.31 4.30 0.00 1.67 1.66 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.53 0.00 2.18 1.49 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 *34 N 9.22 4.70 0.00 2.83 3.01 0.00 0.00 6.61 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.54 4.91 0.00 3.06 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 36 V 7.90 4.39 1.81 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 0.75 0.00 0.00 0.90 0.00 0.00 37 P 0.00 4.72 0.00 2.42 2.38 0.00 3.41 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 38 F 6.87 5.59 0.00 3.07 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 9.24 4.98 4.29 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 1.22 0.00 0.00 40 I 8.48 5.14 1.97 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 1.30 0.86 1.00 0.00 0.00 41 S 9.00 4.55 0.00 3.81 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 42 G 8.51 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 43 N 8.89 4.94 0.00 3.08 3.01 0.00 0.00 5.80 6.67 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 44 L 8.06 5.06 0.00 1.88 1.61 0.98 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.92 5.02 0.00 1.67 1.62 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 9.19 4.74 0.00 3.03 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 47 V 8.73 4.87 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.93 0.00 0.00 48 S 9.16 4.48 0.00 3.98 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 49 G 8.74 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 50 Q 9.29 4.86 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.60 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 51 L 8.39 5.19 0.00 1.53 1.64 1.07 1.15 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 52 P 0.00 4.45 0.00 2.13 2.38 0.00 3.76 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 *54 E 8.57 4.23 0.00 2.10 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 2.30 2.41 0.00 55 S 9.63 3.67 0.00 4.04 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 56 G 8.53 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 57 K 7.72 4.55 0.00 1.85 1.66 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.36 7.81 58 I 8.22 3.92 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.77 0.98 0.00 0.00 59 A 8.95 4.12 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.63 4.36 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 1.05 0.00 0.00 0.95 0.00 0.00 61 T 8.59 4.95 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 1.28 0.00 0.00 62 G 9.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.71 4.54 0.00 1.68 1.56 0.92 1.29 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 64 V 8.52 3.74 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 -0.03 0.00 0.00 0.79 0.00 0.00 65 G 9.09 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 66 R 7.30 4.40 0.00 1.71 1.83 0.00 3.23 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 67 D 8.51 4.64 0.00 2.71 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 68 V 7.28 4.35 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 1.00 0.00 0.00 0.94 0.00 0.00 69 D 8.23 5.00 0.00 2.98 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.17 3.56 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 1.21 0.00 0.00 71 A 7.91 4.27 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 72 S 8.79 4.12 0.00 3.87 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 73 A 8.22 4.02 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 74 Q 8.67 4.11 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 75 R 8.23 4.49 0.00 2.02 2.14 0.00 3.49 0.00 0.00 3.79 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 76 A 8.17 3.98 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 77 A 8.17 3.91 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 78 E 8.48 3.73 0.00 2.19 1.63 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 2.40 2.54 0.00 79 L 8.06 3.83 0.00 1.84 1.72 0.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 80 C 8.26 4.09 0.00 3.10 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 81 A 8.11 3.88 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.90 3.40 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 1.01 0.00 0.00 0.42 0.00 0.00 83 N 8.36 4.37 0.00 2.91 3.06 0.00 0.00 7.03 7.20 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 84 I 7.95 3.67 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.84 0.87 0.00 0.00 85 L 8.08 3.91 0.00 1.80 1.68 0.86 0.82 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 86 A 8.09 3.98 1.45 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 0.00 0.00 87 Q 8.08 4.01 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 88 V 8.01 3.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.89 0.00 0.00 89 K 8.33 3.79 0.00 1.80 1.93 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.33 7.81 90 A 7.89 3.96 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.56 3.47 0.35 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 92 L 7.52 4.44 0.00 1.61 1.62 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 93 N 9.07 4.43 0.00 2.84 2.88 0.00 0.00 7.12 7.84 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 94 G 8.64 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 95 D 7.58 5.01 0.00 2.78 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.10 4.14 0.00 1.73 1.68 0.90 0.71 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 97 S 7.93 4.34 0.00 4.15 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 98 K 8.10 4.07 0.00 1.91 1.76 0.00 1.54 0.00 0.00 1.50 0.00 0.00 2.75 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.12 1.37 7.81 99 I 7.37 4.10 1.93 0.00 0.00 0.82 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 8.93 5.39 0.00 3.12 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 0.00 109 V 8.84 4.77 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.02 0.00 0.00 110 A 9.09 4.48 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 0.00 111 S 8.51 5.11 0.00 3.83 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 0.00 112 V 8.42 4.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.98 0.00 0.00 113 P 0.00 4.36 0.00 2.06 2.14 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 114 E 8.10 4.19 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 115 F 8.13 4.59 0.00 3.04 3.17 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 0.00 116 V 7.42 4.52 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 0.88 0.00 0.00 0.81 0.00 0.00 117 E 5.90 4.55 0.00 1.63 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 2.17 2.02 0.00 118 Q 8.08 4.25 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.70 2.74 0.00 119 H 8.28 4.31 0.00 3.35 3.53 0.00 5.46 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.32 3.94 0.00 1.74 1.75 0.94 0.82 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 0.00 121 V 7.82 3.79 2.35 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 1.09 0.00 0.00 1.14 0.00 0.00 122 I 8.08 3.87 1.88 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 1.78 0.76 0.88 0.00 0.00 123 N 8.27 4.37 0.00 2.99 2.89 0.00 0.00 6.68 7.70 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 0.00 124 G 8.05 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.85 3.95 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 0.00 126 S 8.29 4.15 0.00 3.90 3.97 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 0.00 127 N 8.64 4.35 0.00 2.77 2.88 0.00 0.00 6.68 6.55 0.00 0.00 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 L 7.62 3.92 0.00 1.74 1.75 0.54 0.83 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 0.00 129 I 7.94 3.63 1.85 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 1.56 0.92 0.93 0.00 0.00 130 A 8.18 4.06 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 0.00 131 T 7.95 3.82 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 1.23 0.00 0.00 132 V 7.88 3.85 2.08 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 8.36 5.65 0.00 1.81 1.74 0.00 3.02 0.00 0.00 3.93 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 142 A 8.48 4.90 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 0.00 143 A 8.47 5.02 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.90 4.55 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 0.76 0.00 0.00 1.21 0.00 0.00 145 G 8.67 4.61 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 0.00 0.00 0.00 *147 A 8.50 4.46 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 0.00 148 S 7.22 4.61 0.00 3.91 3.81 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 0.00 149 L 7.47 4.81 0.00 1.89 1.57 1.09 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.17 0.00 2.36 1.95 0.00 3.88 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 151 F 8.82 3.53 0.00 3.24 3.17 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 0.00 152 N 8.24 4.21 0.00 3.04 2.90 0.00 0.00 7.09 7.37 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 0.00 153 A 7.91 4.49 1.43 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 0.00 154 S 8.65 4.56 0.00 3.83 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 0.00 155 V 7.60 5.03 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 0.83 0.00 0.00 0.95 0.00 0.00 156 E 9.53 5.09 0.00 2.13 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 2.42 2.49 0.00 157 I 8.94 4.99 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.53 0.88 0.00 0.00 158 D 8.73 5.36 0.00 3.14 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 0.00 159 A 8.45 5.07 1.13 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 0.00 160 I 8.58 4.60 1.65 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.68 0.47 0.00 0.00 161 V 8.64 4.72 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 0.89 0.00 0.00 0.85 0.00 0.00 162 E 9.31 4.84 0.00 2.02 1.87 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 2.28 2.24 0.00 163 I 8.41 5.06 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.82 0.85 0.00 0.00 164 D 9.16 4.53 0.00 2.41 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 V 8.16 3.97 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 0.69 0.00 0.00 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.