NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3880 8.3293 119.6862 56.1377 29.0893 174.6738 2 R 4.2990 7.9216 119.8341 53.8199 29.5432 171.2473 3 A 4.2024 8.3235 127.1782 51.9275 20.1255 179.5298 4 G 4.9890 7.8953 124.1798 45.9674 0.0000 170.2047 5 P 4.3576 0.0000 0.0000 64.7465 31.8074 176.9277 6 N 4.4129 7.0229 117.0529 52.4239 45.7800 176.3419 7 C 4.5481 7.5828 116.8244 55.0167 42.2990 172.4839 8 P 4.2605 0.0000 0.0000 63.5648 31.4617 176.1147 9 A 4.3027 8.0459 119.8679 51.6505 21.4083 175.1801 10 G 3.9620 9.0521 105.3976 46.1181 0.0000 173.2633 11 W 5.0677 7.9391 118.1872 55.6636 33.1711 175.0066 12 Q 4.5616 9.4163 116.6555 54.4260 29.8669 173.7183 13 P 5.4038 0.0000 0.0000 60.6386 30.7223 177.5216 14 L 3.8891 7.6052 119.6787 57.2193 43.2213 175.4475 15 G 3.8340 9.4218 120.1391 45.5478 0.0000 172.8171 16 D 4.8158 8.5668 115.9438 55.7178 45.2450 177.1273 17 R 4.2318 7.6071 117.6190 55.9744 31.5038 175.1820 18 C 5.5674 8.3116 115.0663 56.3406 44.2155 173.4328 19 I 5.2262 9.3692 122.9612 59.9485 41.1477 172.9888 20 Y 5.0108 9.6914 123.3314 56.8623 42.3874 173.6770 21 Y 4.8852 7.9196 119.0472 57.3095 41.8046 172.8033 22 E 4.8167 7.5578 123.6521 55.6829 32.7688 173.8822 23 T 4.5355 8.5116 105.2486 63.4289 71.8677 174.5564 24 T 3.7085 7.9848 115.4557 61.4280 67.6731 172.5696 25 A 4.1849 8.6055 130.3186 52.8933 18.9919 177.2102 26 M 4.6893 8.5244 120.7083 54.3652 33.3705 175.3320 27 T 4.6057 9.0042 121.2792 63.3967 70.4469 176.7263 28 W 4.0800 7.0742 130.7540 59.9840 31.2165 177.1826 29 A 4.0394 8.0431 120.4332 55.4003 17.8247 179.5170 30 L 3.9543 7.8461 116.5440 58.2940 41.7450 178.9058 31 A 3.9903 9.0846 122.3158 54.1552 18.1840 178.8102 32 E 3.7090 8.5627 116.5229 59.6763 29.9161 179.7799 33 T 3.9885 7.6144 115.2658 66.9860 68.4368 176.3351 34 N 4.3019 7.9444 117.8782 56.4305 38.5643 176.7690 35 C 4.1582 9.0400 121.1228 59.7314 43.4778 175.4760 36 M 4.0403 8.4692 120.1212 58.5464 31.6955 178.6494 37 K 4.0559 7.6892 116.7834 59.0962 32.1586 179.0680 38 L 3.9607 7.1181 120.2438 58.5858 43.2005 176.4627 39 G 4.0847 7.8920 108.4803 43.7141 0.0000 175.7146 40 G 4.1288 7.4574 119.0808 45.9483 0.0000 169.2736 41 H 4.3682 7.3672 120.6416 54.9625 32.8530 172.9322 42 L 4.3417 7.7517 116.7391 55.0699 41.5533 177.7594 43 A 4.1546 8.7888 126.7765 52.6394 19.4191 175.6924 44 S 4.7431 8.1024 113.2383 57.4259 66.7768 173.5003 45 I 4.9273 8.3931 112.4544 60.4161 40.2298 173.6508 46 H 4.8552 8.7105 118.5719 58.0929 34.7700 175.1816 47 S 3.9370 8.1121 110.5725 58.9767 62.7813 173.8071 48 Q 4.2947 7.9461 123.2053 57.7452 27.5004 175.3159 49 E 4.2872 8.0201 116.9676 59.5514 29.4753 178.7087 50 E 4.0619 8.2916 118.2342 59.4093 29.4975 178.4317 51 H 4.3805 8.9516 118.9794 59.4873 29.9997 177.1275 52 S 4.2813 8.1436 115.0448 61.4116 61.9950 175.5839 53 F 4.0440 8.3812 123.7013 61.6072 38.9820 177.1855 54 I 3.8867 8.0107 111.9128 64.2786 37.1449 177.9590 55 Q 4.0314 7.7180 118.5643 58.8689 28.5862 178.3085 56 T 4.0195 8.0320 116.6685 66.0506 68.4560 176.7674 57 L 3.9664 7.3233 120.1567 56.1861 41.7927 174.2778 58 N 4.0632 7.6495 122.9033 53.6399 37.5058 174.4899 59 A 4.4423 8.2742 125.5415 52.0321 20.5529 174.0295 60 G 4.0126 8.3322 105.7543 45.8177 0.0000 173.9314 61 V 4.0038 7.8439 122.0515 61.3975 33.1461 176.4288 62 V 4.1157 7.2307 121.6964 60.7174 34.0629 174.8038 63 W 4.8448 8.8197 128.5655 56.1692 28.1655 174.9111 64 I 4.7235 8.0752 123.7251 60.2951 40.0371 175.6514 65 G 4.8307 9.8773 126.8216 47.4214 0.0000 169.5365 66 G 4.8654 7.7045 106.7062 44.3543 0.0000 174.1283 67 S 4.7751 8.6431 117.0771 57.9293 64.4046 175.4822 68 A 3.7217 7.7318 128.1208 52.0798 20.4615 176.8257 69 C 4.5328 8.1369 122.6987 56.2859 44.0933 174.4452 70 L 4.4098 7.6192 117.6008 53.5158 41.8858 174.1427 71 Q 4.3734 7.7287 114.7771 54.8861 32.5102 174.5247 72 A 4.4027 8.1515 121.6320 51.0940 18.7658 174.6412 73 G 3.6288 8.7253 111.0815 45.5673 0.0000 171.7079 74 A 4.3816 7.3111 120.2514 51.0498 20.4107 174.9979 75 W 4.8277 8.5666 120.8157 55.9913 31.6069 175.5728 76 T 4.7150 8.3249 113.1593 60.0932 72.5118 172.6136 77 W 5.2974 8.6041 121.5487 56.4257 29.4898 176.3991 78 S 4.6805 9.5131 115.7228 62.7280 62.2596 176.0910 79 D 4.8623 7.9200 118.1395 52.7808 42.0709 174.9084 80 G 4.1906 7.9271 114.4383 44.9834 0.0000 175.6299 81 T 4.5705 8.7424 119.0480 58.5968 70.9203 171.4767 82 P 4.5114 0.0000 0.0000 62.3406 32.9163 174.0467 83 M 5.0532 7.6089 117.6822 54.5375 34.0910 172.1635 84 N 4.6836 8.4294 113.2774 52.9789 39.9577 169.6751 85 F 3.7450 8.8497 127.0786 58.9714 38.5433 175.0717 86 R 4.4686 7.2012 122.7198 56.1536 29.4038 174.0296 87 S 4.5986 7.1579 124.9386 58.4183 64.0590 176.5108 88 W 3.9610 7.7708 120.9200 59.2021 28.9229 175.1970 89 C 4.6568 7.4399 108.5991 54.0824 43.6566 172.5036 90 S 4.2332 8.3958 114.8645 58.1962 62.3210 173.7096 91 T 4.0686 8.0892 112.5968 60.8298 68.9798 174.3251 92 K 4.0860 8.2890 122.3103 56.3308 33.1817 174.7670 93 P 4.3795 0.0000 0.0000 63.2704 32.3033 176.4496 94 D 4.4384 8.5019 122.6807 54.2214 40.0356 172.2525 95 D 4.7172 7.9791 113.6519 54.3558 42.7443 175.6237 96 V 4.4131 7.2479 113.0566 59.3206 34.1882 176.5429 97 L 4.0090 8.5267 119.0934 57.9454 41.4625 178.4678 98 A 4.0744 8.1904 120.4157 54.4049 18.3397 177.3746 99 A 4.8718 8.1182 117.6663 50.8777 22.1247 174.7018 100 C 5.1076 8.9396 118.7365 56.6313 40.2068 174.2139 101 C 5.2411 8.0643 117.7372 55.0422 41.1507 173.9845 102 M 4.5633 9.2196 121.9158 56.3400 31.6202 175.4050 103 Q 4.2717 7.8196 119.1536 55.6655 31.9155 172.7956 104 M 4.8152 7.5938 126.0861 52.5454 33.1359 175.1577 105 T 3.9467 8.3537 113.4112 60.9330 69.7016 173.5438 106 A 4.6960 7.8038 121.1089 51.2399 18.8571 176.2105 107 A 4.3297 7.9466 122.5892 51.8247 20.7127 177.0236 108 A 4.1320 8.5084 116.7671 51.6768 16.8734 178.4232 109 D 4.8569 7.4651 110.8154 53.9904 42.6838 176.8473 110 Q 3.8455 8.1183 120.6025 57.6124 29.2645 176.6924 111 C 3.4858 7.9335 117.7794 54.6083 43.9137 171.9938 112 W 4.8540 7.7231 121.4791 57.4570 29.4342 175.8982 113 D 4.3310 9.0396 117.6257 53.5675 45.4019 175.7444 114 D 4.8230 9.0379 124.0383 55.1378 41.8693 175.4922 115 L 5.0915 8.7747 118.7157 52.7955 46.5966 175.5823 116 P 4.5380 0.0000 0.0000 63.5005 31.9761 175.8941 117 C 3.9894 8.8528 120.0560 56.5637 41.6933 171.2319 118 P 4.5145 0.0000 0.0000 62.9408 30.6113 175.5547 119 A 4.4981 8.3877 122.6605 50.7465 20.2259 173.4865 120 S 4.4328 7.6533 116.3927 58.2915 63.5983 172.8906 121 H 5.2087 8.9270 121.9923 52.8668 32.3664 173.6716 122 K 4.3992 7.8560 120.5440 57.6038 32.8385 175.6947 123 S 4.7626 8.3567 114.2656 56.5350 66.0857 173.2921 124 V 4.2560 8.2372 121.7644 61.4641 33.7609 174.3475 125 C 5.8818 8.9310 124.5375 54.2356 42.3054 173.1347 126 A 5.1730 7.9673 122.2423 50.7727 23.2346 173.9029 127 M 4.2366 8.5365 114.9931 55.8725 34.8373 173.6774 128 T 4.5343 7.9233 117.1586 62.9007 73.2853 175.0762 *129 F 4.5091 7.3481 119.4464 57.3768 39.1300 171.5197 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 Q 8.33 4.39 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.17 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 2 R 7.92 4.30 0.00 1.92 1.87 0.00 3.18 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 3 A 8.32 4.20 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 4 G 7.90 4.99 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 5 P 0.00 4.36 0.00 2.16 2.14 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 6 N 7.02 4.41 0.00 2.69 2.92 0.00 0.00 6.90 7.82 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 7 C 7.58 4.55 0.00 3.02 3.11 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 0.00 0.00 0.00 0.00 8 P 0.00 4.26 0.00 2.21 2.14 0.00 3.86 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 2.08 1.97 0.00 9 A 8.05 4.30 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 10 G 9.05 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 0.00 0.00 0.00 11 W 7.94 5.07 0.00 3.31 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 12 Q 9.42 4.56 0.00 2.48 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.27 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 13 P 0.00 5.40 0.00 2.24 2.24 0.00 3.49 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 14 L 7.61 3.89 0.00 1.66 1.66 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.42 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 16 D 8.57 4.82 0.00 2.62 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 17 R 7.61 4.23 0.00 1.80 1.76 0.00 2.95 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 18 C 8.31 5.57 0.00 2.60 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 19 I 9.37 5.23 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.14 1.00 0.00 0.00 20 Y 9.69 5.01 0.00 3.19 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 21 Y 7.92 4.89 0.00 3.03 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 22 E 7.56 4.82 0.00 1.92 1.71 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 2.21 2.25 0.00 23 T 8.51 4.54 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 1.31 0.00 0.00 24 T 7.98 3.71 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 25 A 8.61 4.18 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 26 M 8.52 4.69 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 27 T 9.00 4.61 4.38 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 1.13 0.00 0.00 28 W 7.07 4.08 0.00 2.41 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.04 4.04 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.85 3.95 0.00 1.83 1.73 0.94 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 31 A 9.08 3.99 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 32 E 8.56 3.71 0.00 1.57 2.16 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 2.62 2.44 0.00 33 T 7.61 3.99 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 1.21 0.00 0.00 34 N 7.94 4.30 0.00 2.91 2.80 0.00 0.00 6.73 8.99 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 35 C 9.04 4.16 0.00 2.89 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 36 M 8.47 4.04 0.00 2.00 2.37 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.62 0.00 37 K 7.69 4.06 0.00 1.81 1.82 0.00 1.70 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 38 L 7.12 3.96 0.00 1.27 1.28 0.31 -1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.89 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 40 G 7.46 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 41 H 7.37 4.37 0.00 3.21 3.42 0.00 5.47 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.75 4.34 0.00 1.58 1.82 -0.01 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.79 4.15 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 44 S 8.10 4.74 0.00 3.57 3.63 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 0.00 45 I 8.39 4.93 2.13 0.00 0.00 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 1.52 0.96 1.20 0.00 0.00 46 H 8.71 4.86 0.00 3.20 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.11 3.94 0.00 3.89 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 48 Q 7.95 4.29 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.52 0.00 0.00 0.00 0.00 0.00 1.16 1.97 0.00 49 E 8.02 4.29 0.00 2.11 2.01 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 2.44 2.58 0.00 50 E 8.29 4.06 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 51 H 8.95 4.38 0.00 3.54 3.85 0.00 5.79 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 52 S 8.14 4.28 0.00 4.09 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 53 F 8.38 4.04 0.00 3.26 3.23 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 54 I 8.01 3.89 2.01 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 1.82 0.79 1.21 0.00 0.00 55 Q 7.72 4.03 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.05 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 56 T 8.03 4.02 4.11 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 0.00 0.00 0.00 1.10 0.00 0.00 57 L 7.32 3.97 0.00 1.57 1.45 -0.53 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.65 4.06 0.00 2.80 2.84 0.00 0.00 6.99 7.78 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 59 A 8.27 4.44 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 60 G 8.33 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 61 V 7.84 4.00 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 0.37 0.00 0.00 0.22 0.00 0.00 62 V 7.23 4.12 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.83 0.00 0.00 63 W 8.82 4.84 0.00 3.05 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 64 I 8.08 4.72 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.52 1.29 0.00 0.00 65 G 9.88 4.83 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 66 G 7.70 4.87 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 0.00 0.00 0.00 67 S 8.64 4.78 0.00 3.65 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.73 3.72 -1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 8.14 4.53 0.00 2.75 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 70 L 7.62 4.41 0.00 1.48 1.45 0.85 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 7.73 4.37 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 72 A 8.15 4.40 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 73 G 8.73 3.63 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 0.00 0.00 0.00 0.00 74 A 7.31 4.38 1.16 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 0.00 0.00 75 W 8.57 4.83 0.00 3.16 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.32 4.72 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 1.26 0.00 0.00 77 W 8.60 5.30 0.00 3.42 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 78 S 9.51 4.68 0.00 3.96 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 0.00 79 D 7.92 4.86 0.00 2.66 2.62 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 80 G 7.93 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 0.00 0.00 0.00 81 T 8.74 4.57 4.36 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 1.28 0.00 0.00 82 P 0.00 4.51 0.00 2.15 2.30 0.00 3.77 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 2.01 1.98 0.00 83 M 7.61 5.05 0.00 1.87 1.45 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.14 2.74 0.00 84 N 8.43 4.68 0.00 2.91 2.83 0.00 0.00 5.96 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 85 F 8.85 3.75 0.00 3.11 3.22 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 0.00 86 R 7.20 4.47 0.00 2.15 2.02 0.00 3.05 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.46 0.00 87 S 7.16 4.60 0.00 3.52 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 88 W 7.77 3.96 0.00 2.59 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 89 C 7.44 4.66 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 90 S 8.40 4.23 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 91 T 8.09 4.07 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 92 K 8.29 4.09 0.00 1.83 1.79 0.00 1.39 0.00 0.00 1.49 0.00 0.00 2.57 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.35 7.81 93 P 0.00 4.38 0.00 2.21 2.09 0.00 3.94 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 1.98 1.98 0.00 94 D 8.50 4.44 0.00 2.86 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 95 D 7.98 4.72 0.00 2.68 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 96 V 7.25 4.41 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 0.98 0.00 0.00 97 L 8.53 4.01 0.00 1.63 1.74 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.19 4.07 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 99 A 8.12 4.87 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 0.00 100 C 8.94 5.11 0.00 2.78 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 0.00 101 C 8.06 5.24 0.00 2.84 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 0.00 102 M 9.22 4.56 0.00 1.73 1.96 0.00 0.00 0.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.12 2.87 0.00 103 Q 7.82 4.27 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 104 M 7.59 4.82 0.00 0.51 1.17 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.63 0.00 105 T 8.35 3.95 4.34 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 1.23 0.00 0.00 106 A 7.80 4.70 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 0.00 107 A 7.95 4.33 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 4.13 1.44 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 0.00 109 D 7.47 4.86 0.00 2.61 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.12 3.85 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.09 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 111 C 7.93 3.49 0.00 2.98 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 0.00 112 W 7.72 4.85 0.00 3.08 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 0.00 113 D 9.04 4.33 0.00 2.53 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 9.04 4.82 0.00 2.56 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 0.00 115 L 8.77 5.09 0.00 1.82 1.94 1.02 1.15 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 0.00 116 P 0.00 4.54 0.00 2.23 2.38 0.00 3.92 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 2.07 2.02 0.00 117 C 8.85 3.99 0.00 2.88 3.43 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 0.00 118 P 0.00 4.51 0.00 2.27 2.11 0.00 3.89 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 119 A 8.39 4.50 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 S 7.65 4.43 0.00 3.95 3.87 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 0.00 121 H 8.93 5.21 0.00 3.12 3.21 0.00 5.70 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 7.86 4.40 0.00 1.54 1.99 0.00 1.57 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.42 1.50 7.81 123 S 8.36 4.76 0.00 3.83 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 0.00 124 V 8.24 4.26 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 1.02 0.00 0.00 0.73 0.00 0.00 125 C 8.93 5.88 0.00 2.99 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.97 5.17 1.16 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 0.00 0.00 127 M 8.54 4.24 0.00 1.39 1.51 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.13 0.00 128 T 7.92 4.53 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 *129 F 7.35 4.51 0.00 2.75 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 * Residues marked with a * may have inaccurate shift predictions.