NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4528 8.3349 116.7998 58.3975 64.2664 172.7323 10 I 4.3442 8.1436 122.0152 59.2793 39.4260 173.6449 11 I 4.4265 8.7367 127.9784 60.1555 39.7828 175.5162 12 R 4.6759 8.5045 123.2477 54.3575 31.2351 173.1595 13 F 5.1237 7.8649 116.0806 54.4273 41.1957 173.8767 14 S 4.5772 8.6593 117.4439 57.0599 64.1758 173.9456 15 V 4.3807 8.1565 123.8580 61.1481 32.9666 174.8445 16 S 4.6672 8.5209 123.7050 57.3008 64.0281 173.2297 17 L 4.3451 7.9893 125.6208 54.6203 42.9200 175.3138 18 Q 4.3753 8.2265 119.8822 56.3721 30.2772 173.5413 19 Q 4.1724 8.6026 122.4188 59.4575 28.6515 178.6177 20 N 4.2859 8.1080 117.6032 56.0105 37.3662 176.8647 21 L 3.9790 7.7993 122.2571 57.6092 42.2775 178.2814 22 L 3.9536 8.0670 120.3813 58.4050 41.8147 178.7775 23 D 4.3685 8.3660 118.9221 57.2578 40.4858 178.5920 24 E 3.9621 7.6375 117.1873 59.2086 29.7539 178.7785 25 L 4.0655 7.8001 120.0958 58.4078 41.9720 178.8096 26 D 4.3862 8.3550 117.7949 57.1418 40.7121 178.2026 27 N 4.5336 7.3342 116.8803 54.9421 38.6832 175.1731 28 R 4.3760 7.4269 122.6663 55.0247 31.3181 176.4918 *31 K 4.3741 8.6182 124.6079 54.1845 33.9068 172.7839 32 N 4.9116 7.9542 114.9725 51.8671 40.0988 176.0462 33 G 3.8750 8.2257 110.2103 44.1353 0.0000 171.2362 34 Y 4.4214 7.6609 122.9854 55.5878 41.7420 175.2716 35 S 4.2748 8.9593 121.9655 61.2692 62.9145 174.2934 36 S 4.6716 7.8087 111.4515 55.6741 66.3698 174.6611 37 R 3.8096 8.4904 124.1860 59.6426 29.9276 179.3262 38 S 3.8543 8.0154 112.6369 61.3473 62.3032 176.1301 39 E 4.0245 8.0482 120.9865 59.1051 29.3243 178.7849 40 L 3.2029 7.7620 120.4195 57.7883 42.0967 179.1226 41 V 3.4871 8.3675 118.8627 65.9165 31.3938 177.9649 42 R 3.9307 7.9082 118.4222 59.6849 30.0770 178.3206 43 D 4.4283 8.2926 118.5889 57.2753 40.7768 178.7519 44 M 4.0501 8.1780 119.7329 58.4052 31.9302 178.7129 45 I 3.7248 8.2252 120.2984 64.3412 37.3100 178.3151 46 R 4.0106 8.1996 119.5609 59.5101 29.8263 178.0850 47 E 3.9313 8.0940 118.5803 59.3189 29.6544 178.9252 48 K 4.1286 8.1119 118.4293 59.5419 32.0732 179.3695 49 L 4.0328 8.2210 119.4014 57.7405 41.4424 179.8051 50 V 3.9160 8.1999 118.2250 66.0784 31.5480 177.8573 51 E 3.9299 8.4519 118.5379 59.6597 29.1196 179.1045 52 D 4.4243 8.3563 117.9098 57.3221 41.0249 178.0842 53 N 4.5573 8.5783 117.5998 56.7717 38.6430 177.0819 54 W 4.0285 8.8668 120.0801 59.4559 28.8401 178.2994 55 A 4.3395 8.0685 120.2321 53.7824 17.8102 177.8431 56 E 4.6195 7.5127 113.9216 55.8965 29.9461 175.6262 57 D 4.3640 7.7503 118.9624 54.3392 41.8929 175.6882 58 N 4.3804 8.7551 124.9884 53.0829 39.3744 173.7611 59 P 4.3489 0.0000 0.0000 65.0380 31.4520 176.5167 60 N 4.6343 8.1076 115.1557 53.1802 39.3186 174.3154 61 D 4.5580 8.0453 120.3116 53.7656 41.7235 176.1575 62 E 4.4339 8.5923 125.2460 56.3578 30.2666 177.2063 63 S 4.3166 9.8098 118.4534 60.7694 63.5274 175.4583 64 K 3.9312 7.4933 120.0315 56.9433 32.6585 176.1853 65 I 5.1577 8.4730 124.0588 59.9195 40.0622 174.3811 66 A 4.8029 8.7450 125.9698 51.0981 23.6060 175.0297 67 V 4.6930 8.7095 119.0141 61.0514 34.6683 174.0671 68 L 4.9381 9.0379 130.8826 53.7056 43.6483 175.0614 69 V 4.7339 8.7835 128.0388 61.7911 33.1147 174.7061 70 V 5.1304 9.2001 128.1660 61.2042 34.8647 173.9800 71 I 5.2194 9.1886 128.5431 59.7733 39.9475 174.2995 72 Y 5.3023 8.3911 123.9291 55.6451 42.5114 174.1159 73 D 5.1270 8.8008 119.2577 52.7394 39.8985 176.8824 74 G 3.7000 8.4174 116.1965 47.7011 0.0000 172.6479 75 G 3.7873 8.1507 107.4029 45.5368 0.0000 173.6453 76 Q 4.2702 8.0627 122.8624 54.1376 28.4063 174.8364 77 R 3.9832 8.2713 126.1880 57.8706 30.7878 176.2963 78 E 4.0563 9.0650 124.6347 56.3840 29.1725 175.8478 79 L 3.9615 7.7835 119.2215 58.5891 42.0776 177.9493 80 N 4.1545 8.1260 116.6170 56.9459 38.9990 176.4814 81 Q 3.9353 8.0036 120.2783 59.0021 29.1974 177.8921 82 R 3.8659 7.8763 119.6746 59.7542 30.1089 178.4957 83 M 4.0224 8.0558 118.4102 58.3241 31.8459 178.8688 84 I 3.6672 7.7309 120.0256 64.3372 37.3649 178.1428 85 D 4.3115 8.5631 120.0690 57.4365 40.4241 178.9889 86 I 3.7112 7.4172 119.0194 64.4108 37.4012 177.9994 87 Q 4.1174 8.1983 120.3927 59.5742 28.6901 177.9249 88 H 4.2261 8.5620 116.4222 58.2322 28.7912 176.6042 89 A 4.5074 7.5243 119.5481 52.3262 19.0610 178.4930 90 S 4.3254 7.9021 114.1709 59.1729 63.5962 175.6162 91 G 3.9930 8.3358 109.9331 45.2422 0.0000 173.5212 92 T 4.2162 7.3071 108.7258 61.8183 69.6703 173.1974 93 H 4.8780 9.3345 119.4640 53.9378 31.5633 173.5180 94 V 4.2100 8.4462 123.9970 62.6604 31.3976 175.5346 95 L 4.3545 8.9977 129.2952 57.4908 42.6521 177.1533 96 C 4.7316 7.5963 115.4365 58.6923 34.9258 172.7693 97 T 5.1885 8.6632 121.6627 62.0842 71.2305 173.2913 98 T 4.7432 8.8776 122.3273 61.9539 71.8693 172.5921 99 H 5.3904 8.8849 124.8655 54.3547 32.7233 172.3367 100 I 4.7313 8.5673 118.5058 59.2681 41.1904 173.9100 101 H 4.6578 8.8193 124.0147 55.8968 30.5721 174.1866 102 M 4.2124 8.2260 126.8570 56.5514 33.2642 175.7878 103 D 4.4552 7.9776 118.2741 53.0514 42.2565 175.5079 104 E 3.9378 8.9501 114.1767 59.4974 29.5704 173.5164 105 H 5.2595 8.3800 114.4349 55.0693 29.4853 173.0278 106 N 5.4187 8.0267 117.4302 51.9080 42.9612 173.3635 107 C 4.9090 8.8764 117.6345 56.3076 33.7085 172.5291 108 L 5.2556 8.5156 122.3394 53.3937 44.8620 174.6820 109 E 5.2187 9.4588 125.7433 54.6849 33.5204 173.9277 110 T 4.9906 9.0214 117.4771 60.2473 71.2040 173.3603 111 I 4.7495 8.8330 129.0336 59.4329 39.2560 175.1207 112 I 4.5577 8.8829 130.2012 60.8188 38.1391 175.4958 113 L 5.3415 9.4482 127.2963 53.0261 45.6291 175.4143 114 Q 5.4538 8.8876 121.6116 52.9701 32.6066 175.1513 115 G 3.7994 7.9985 111.7202 45.2059 0.0000 170.7364 116 N 5.0247 8.2227 119.2533 52.7598 40.8478 176.8860 117 S 3.5045 8.5095 122.1476 61.5962 62.8912 176.8469 118 F 4.2727 9.0296 121.1220 59.4603 38.8248 177.9358 119 E 4.0375 8.4210 118.2366 59.4307 29.4526 179.1481 120 I 3.7906 8.0508 119.9871 64.5140 37.2485 178.2958 121 Q 4.0015 8.2641 120.4508 59.0572 28.7395 178.2699 122 R 3.9097 8.0751 119.8233 59.3098 30.0902 178.0877 123 L 3.9311 8.0006 120.1191 58.2583 42.0452 178.6989 124 Q 3.9168 7.9969 119.0886 59.3019 28.7856 178.3880 125 L 3.9949 7.7244 118.5775 57.7002 41.7946 179.1286 126 E 4.1062 8.5000 118.8232 59.5215 29.6006 179.3513 127 I 3.7637 7.9910 120.0975 64.4878 36.9822 178.8185 128 G 3.7644 8.1297 105.1111 46.9701 0.0000 174.9835 129 G 3.8813 7.5363 105.5934 44.1416 0.0000 173.9638 130 L 4.2403 7.3107 121.9570 53.7899 42.4713 176.5341 131 R 4.1156 8.3408 123.1324 57.8776 30.6123 176.7238 132 G 4.2012 9.1170 112.8019 46.2348 0.0000 172.7473 133 V 4.3753 7.2857 119.3869 61.9645 31.6151 175.4939 134 K 4.4596 8.8795 127.5584 57.9184 33.2419 177.1749 135 F 4.7474 8.0677 120.6898 57.1132 42.9523 173.0937 136 A 4.7690 7.7852 128.1726 51.0913 20.8205 175.0236 137 K 4.3788 8.8074 121.2002 55.2239 35.7510 175.7937 138 L 4.7431 8.3972 124.3154 54.2082 43.1875 176.1755 139 T 4.3726 8.9796 120.9393 62.0252 70.0208 173.9483 140 K 4.4910 8.3110 125.8945 55.0031 33.6470 176.1902 141 A 5.1111 8.7422 124.0605 50.4316 22.2205 175.8015 142 S 4.8847 9.3569 116.9377 56.2167 66.3423 175.8443 143 S 2.8215 8.4512 117.9572 60.8123 62.7449 176.4681 144 F 4.3027 7.7877 114.6093 58.9321 37.8102 176.0440 145 E 4.0603 7.2440 121.3979 58.2195 28.1076 177.0392 146 Y 4.8274 6.7676 113.6031 56.7558 39.7898 177.0952 147 N 4.5728 8.2423 120.3181 55.7873 38.8810 175.4248 148 E 4.3364 7.4894 117.1917 55.8166 30.3577 180.0040 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 9 S 8.33 4.45 0.00 3.90 3.89 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 10 I 8.14 4.34 1.89 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 1.45 0.75 0.94 0.00 0.00 11 I 8.74 4.43 1.96 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 1.31 0.46 1.01 0.00 0.00 12 R 8.50 4.68 0.00 1.81 1.69 0.00 3.21 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 13 F 7.86 5.12 0.00 3.06 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 14 S 8.66 4.58 0.00 3.92 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 15 V 8.16 4.38 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 0.86 0.00 0.00 1.00 0.00 0.00 16 S 8.52 4.67 0.00 3.91 3.78 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 17 L 7.99 4.35 0.00 1.70 1.63 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.23 4.38 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.92 0.00 0.00 0.00 0.00 0.00 2.34 1.97 0.00 19 Q 8.60 4.17 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 20 N 8.11 4.29 0.00 2.95 3.06 0.00 0.00 5.90 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 21 L 7.80 3.98 0.00 1.77 1.82 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.07 3.95 0.00 1.88 1.80 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.37 4.37 0.00 2.94 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 24 E 7.64 3.96 0.00 2.13 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 2.34 2.46 0.00 25 L 7.80 4.07 0.00 1.76 1.83 0.85 1.14 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 26 D 8.35 4.39 0.00 2.85 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 27 N 7.33 4.53 0.00 2.83 2.92 0.00 0.00 6.88 7.53 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 28 R 7.43 4.38 0.00 1.75 1.93 0.00 3.24 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 *31 K 8.62 4.37 0.00 1.80 1.76 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 32 N 7.95 4.91 0.00 2.79 2.88 0.00 0.00 6.83 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 33 G 8.23 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.66 4.42 0.00 2.95 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 35 S 8.96 4.27 0.00 3.88 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 36 S 7.81 4.67 0.00 3.90 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 37 R 8.49 3.81 0.00 1.86 1.91 0.00 3.14 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 1.79 0.00 38 S 8.02 3.85 0.00 3.85 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 39 E 8.05 4.02 0.00 2.32 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 0.00 2.46 2.41 0.00 40 L 7.76 3.20 0.00 0.99 1.53 0.24 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.37 3.49 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 0.83 0.00 0.00 0.92 0.00 0.00 42 R 7.91 3.93 0.00 2.04 2.12 0.00 3.20 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 43 D 8.29 4.43 0.00 2.77 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 44 M 8.18 4.05 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.53 0.00 45 I 8.23 3.72 2.09 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 0.97 0.00 0.00 46 R 8.20 4.01 0.00 1.96 2.15 0.00 3.14 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 47 E 8.09 3.93 0.00 2.12 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 0.00 2.30 2.32 0.00 48 K 8.11 4.13 0.00 1.84 1.86 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.64 7.81 49 L 8.22 4.03 0.00 2.01 1.59 0.82 0.70 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 50 V 8.20 3.92 2.31 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 0.99 0.00 0.00 1.10 0.00 0.00 51 E 8.45 3.93 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 52 D 8.36 4.42 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 53 N 8.58 4.56 0.00 3.08 3.36 0.00 0.00 7.25 7.62 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 54 W 8.87 4.03 0.00 3.46 3.21 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 55 A 8.07 4.34 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.51 4.62 0.00 2.07 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 0.00 2.58 2.25 0.00 57 D 7.75 4.36 0.00 2.75 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 58 N 8.76 4.38 0.00 2.75 2.66 0.00 0.00 6.96 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 59 P 0.00 4.35 0.00 2.19 2.12 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 60 N 8.11 4.63 0.00 2.83 2.88 0.00 0.00 6.90 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.05 4.56 0.00 2.72 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 62 E 8.59 4.43 0.00 1.90 1.83 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 2.17 2.19 0.00 63 S 9.81 4.32 0.00 4.20 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 64 K 7.49 3.93 0.00 1.50 1.14 0.00 0.73 0.00 0.00 1.31 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 0.50 7.81 65 I 8.47 5.16 1.92 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 1.46 1.01 0.89 0.00 0.00 66 A 8.75 4.80 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 67 V 8.71 4.69 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 0.85 0.00 0.00 0.94 0.00 0.00 68 L 9.04 4.94 0.00 1.77 1.55 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.78 4.73 2.29 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 1.14 0.00 0.00 1.00 0.00 0.00 70 V 9.20 5.13 2.27 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 1.15 0.00 0.00 0.98 0.00 0.00 71 I 9.19 5.22 2.01 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.70 0.93 0.00 0.00 72 Y 8.39 5.30 0.00 3.23 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 73 D 8.80 5.13 0.00 2.77 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 74 G 8.42 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 75 G 8.15 3.79 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 0.00 76 Q 8.06 4.27 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 77 R 8.27 3.98 0.00 1.83 1.85 0.00 3.32 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 78 E 9.06 4.06 0.00 2.24 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 0.00 2.23 2.32 0.00 79 L 7.78 3.96 0.00 1.84 1.82 0.85 0.88 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 80 N 8.13 4.15 0.00 2.93 2.82 0.00 0.00 6.84 7.09 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 81 Q 8.00 3.94 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 82 R 7.88 3.87 0.00 2.14 2.03 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 83 M 8.06 4.02 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.40 0.00 84 I 7.73 3.67 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.77 0.65 0.00 0.00 85 D 8.56 4.31 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.42 3.71 1.99 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 1.40 0.60 0.94 0.00 0.00 87 Q 8.20 4.12 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 88 H 8.56 4.23 0.00 3.31 3.34 0.00 5.71 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.52 4.51 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 90 S 7.90 4.33 0.00 4.09 4.19 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 91 G 8.34 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 92 T 7.31 4.22 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 1.26 0.00 0.00 93 H 9.33 4.88 0.00 3.12 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.45 4.21 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 0.80 0.00 0.00 1.01 0.00 0.00 95 L 9.00 4.35 0.00 1.55 1.71 0.92 0.78 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 96 C 7.60 4.73 0.00 2.96 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 97 T 8.66 5.19 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 1.28 0.00 0.00 98 T 8.88 4.74 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 99 H 8.88 5.39 0.00 3.14 3.15 0.00 5.86 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.57 4.73 1.86 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 1.05 0.77 0.90 0.00 0.00 101 H 8.82 4.66 0.00 3.10 3.23 0.00 5.91 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 M 8.23 4.21 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 103 D 7.98 4.46 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.95 3.94 0.00 2.01 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 2.24 1.93 0.00 105 H 8.38 5.26 0.00 3.17 3.26 0.00 5.55 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.03 5.42 0.00 2.67 2.54 0.00 0.00 6.51 6.97 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 0.00 107 C 8.88 4.91 0.00 2.72 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 0.00 108 L 8.52 5.26 0.00 1.62 1.44 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 109 E 9.46 5.22 0.00 2.23 1.91 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 2.30 2.53 0.00 110 T 9.02 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 1.24 0.00 0.00 111 I 8.83 4.75 1.91 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 1.27 0.64 0.94 0.00 0.00 112 I 8.88 4.56 1.97 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 1.24 0.68 0.92 0.00 0.00 113 L 9.45 5.34 0.00 1.70 1.59 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.89 5.45 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 115 G 8.00 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 0.00 116 N 8.22 5.02 0.00 2.89 2.84 0.00 0.00 6.89 7.75 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 0.00 117 S 8.51 3.50 0.00 3.87 3.38 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 0.00 118 F 9.03 4.27 0.00 3.26 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.42 4.04 0.00 2.22 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 2.45 2.46 0.00 120 I 8.05 3.79 2.27 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.26 1.14 0.00 0.00 121 Q 8.26 4.00 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 122 R 8.08 3.91 0.00 2.14 2.19 0.00 3.21 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 1.80 1.68 0.00 123 L 8.00 3.93 0.00 1.84 1.89 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.00 3.92 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 125 L 7.72 3.99 0.00 1.83 1.72 0.95 0.82 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 0.00 126 E 8.50 4.11 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 127 I 7.99 3.76 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.34 0.86 0.00 0.00 128 G 8.13 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 0.00 0.00 0.00 129 G 7.54 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.31 4.24 0.00 1.81 1.57 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.34 4.12 0.00 1.78 1.85 0.00 3.21 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 132 G 9.12 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 7.29 4.38 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 0.88 0.00 0.00 0.94 0.00 0.00 134 K 8.88 4.46 0.00 1.75 1.93 0.00 1.96 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.47 7.81 135 F 8.07 4.75 0.00 3.13 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 0.00 136 A 7.79 4.77 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.81 4.38 0.00 1.47 1.56 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.88 0.26 7.81 138 L 8.40 4.74 0.00 1.37 1.38 0.84 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 139 T 8.98 4.37 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 140 K 8.31 4.49 0.00 1.01 0.74 0.00 1.01 0.00 0.00 0.61 0.00 0.00 2.34 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.30 0.73 7.81 141 A 8.74 5.11 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 0.00 142 S 9.36 4.88 0.00 3.23 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 0.00 143 S 8.45 2.82 0.00 3.75 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 0.00 144 F 7.79 4.30 0.00 3.08 3.20 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 0.00 145 E 7.24 4.06 0.00 1.89 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 1.97 1.47 0.00 146 Y 6.77 4.83 0.00 3.09 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 0.00 147 N 8.24 4.57 0.00 2.72 2.91 0.00 0.00 6.69 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 0.00 148 E 7.49 4.34 0.00 1.96 1.67 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 2.15 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.