NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2864 8.1593 117.3737 63.5348 69.8552 173.8217 2 S 4.4613 8.2587 120.2193 56.0385 66.4383 173.4212 3 K 4.0185 9.2069 124.1288 59.6234 32.3667 179.9577 4 K 3.8661 8.0448 118.1665 59.5795 31.8627 179.0285 5 K 4.0092 7.6093 117.8138 58.7899 32.1273 177.9029 6 R 4.3475 7.5390 116.0204 56.8507 30.7101 177.8968 7 Q 4.1296 8.0872 119.0473 57.2830 28.4044 176.1739 8 R 4.0130 7.5587 118.9298 58.4828 30.1892 176.2326 9 G 4.1265 9.0471 111.6715 45.6860 0.0000 174.4573 10 S 4.1357 8.0466 113.3825 58.9600 63.3229 174.2807 11 R 4.1842 7.9924 124.8151 57.1037 29.2367 176.6800 12 T 4.2520 7.6116 105.2723 61.5108 69.7025 174.2714 13 H 4.8071 8.5089 117.9201 56.0237 26.8616 175.6620 14 G 3.9080 8.5468 104.1144 46.0017 0.0000 175.0371 15 G 3.8379 8.1466 107.2187 45.2232 0.0000 176.2373 16 G 3.9276 7.8873 106.5542 44.8588 0.0000 173.8236 17 S 4.1895 8.5769 117.1445 58.6779 62.7677 174.8302 18 H 4.4722 8.8351 120.7002 56.9423 28.2885 175.9411 19 K 4.0758 7.8436 119.2345 57.3986 31.9126 177.4811 20 N 4.3325 7.4900 117.3756 55.9221 38.9687 176.9856 21 R 4.3186 7.4081 121.9239 56.4880 28.8145 177.7957 22 R 4.6122 7.3346 123.7899 56.2647 31.4709 179.6559 23 G 4.0325 8.4849 118.7001 45.3333 0.0000 172.9917 24 A 4.3554 8.6596 121.8594 54.0106 18.5006 179.9040 25 G 3.5744 8.0111 104.6030 47.8146 0.0000 175.0773 26 H 4.4791 8.0919 118.4510 57.8593 29.9779 176.3009 27 R 4.5093 7.7592 117.0644 55.1165 31.1213 175.7097 28 G 3.7646 8.2409 106.8731 46.6626 0.0000 174.7698 29 G 4.0562 8.3779 105.2328 44.7246 0.0000 174.5766 30 R 4.1882 8.4619 118.7083 56.5995 31.9448 177.1415 31 G 3.8996 8.1222 110.0100 47.5409 0.0000 173.7448 32 D 4.7674 8.5627 121.2144 53.9578 41.0248 175.7639 33 A 4.0177 7.4163 122.5593 53.6309 18.9188 178.9427 34 G 3.7640 8.9626 109.2693 45.8790 0.0000 175.5447 35 R 3.8174 7.5543 116.5541 57.7782 29.2335 177.3405 36 D 5.0714 7.9690 115.4635 52.7161 41.8768 175.5495 37 K 4.4609 8.6298 118.9910 56.8664 32.2677 178.6104 38 H 4.4049 9.8855 124.5779 58.6238 28.0921 175.9686 39 E 4.7194 7.6805 120.0246 55.5338 30.2261 178.0467 40 F 4.9826 7.8217 115.5601 59.3417 38.1894 175.6941 41 H 3.4906 5.8217 114.5292 57.5975 29.1582 174.9087 42 N 4.1544 8.7294 119.1797 53.8828 35.4615 172.7441 43 H 4.7319 7.6379 115.5407 54.1437 33.5834 172.7685 44 E 4.0777 8.8468 126.6337 55.6964 29.8222 175.3167 45 P 4.4662 0.0000 0.0000 62.3488 32.0160 176.2158 46 L 4.0579 8.2104 119.6341 55.3527 42.1488 175.9864 47 G 4.2605 8.1061 105.8790 43.4303 0.0000 173.3719 48 K 4.4720 7.8825 120.3082 55.1496 33.9982 176.4185 49 S 4.3407 8.6529 111.0732 58.6041 65.3435 176.5391 50 G 4.0304 8.9956 117.7125 45.8430 0.0000 171.4212 51 F 4.9498 8.2986 113.2495 55.7785 40.8712 173.2062 52 K 4.2933 8.3635 119.3134 54.4609 34.8801 176.6265 53 R 4.5032 8.1143 121.9870 54.2088 31.4888 174.6643 54 P 4.3558 0.0000 0.0000 62.9521 32.0306 177.3700 55 Q 3.9462 8.9196 121.0245 58.7647 28.7511 178.2719 56 K 4.4028 7.9770 114.0400 57.0343 33.0305 177.0178 57 V 4.2427 7.8367 118.2478 62.8170 32.4553 175.1953 58 Q 4.4332 7.4787 117.0963 55.6629 29.6716 174.8709 59 E 4.6775 8.5641 121.4180 54.8774 31.3986 175.3185 60 E 4.5375 8.7454 123.4007 54.2846 31.5280 174.6345 61 A 3.9999 8.3469 128.4136 51.1324 20.0325 176.4005 62 A 4.4785 8.6329 123.7470 50.7514 20.3085 176.5097 63 T 5.3671 8.0891 111.7219 60.6597 71.5547 174.0880 64 I 4.4514 7.7467 120.6597 60.2675 41.6809 173.2732 65 D 5.2062 8.6291 128.4443 53.3360 42.2981 177.8376 66 V 3.6749 8.3538 116.2371 64.7260 31.4846 178.9578 67 R 3.8895 7.8463 117.9361 59.5450 29.6370 178.2157 68 E 3.9403 8.0215 117.8558 59.1420 29.7896 178.6166 69 I 3.8050 7.6127 119.3640 64.4943 37.0464 177.7394 70 D 4.2407 8.4512 119.2306 57.4192 40.8736 178.0454 71 E 4.1198 8.1914 117.5407 58.0747 29.6421 177.2795 72 N 4.9566 7.5802 116.7935 52.8177 39.3756 177.1978 73 V 3.2047 7.1084 112.4368 64.7074 31.7218 178.0269 74 T 4.0315 7.5880 108.6513 64.7380 68.6692 175.5143 75 L 4.1148 7.7576 120.7273 57.1299 42.2945 176.9287 76 L 4.4115 7.6722 119.2037 54.6695 41.6339 178.4449 77 A 4.1423 7.9613 121.7758 54.5628 18.7316 178.8374 78 A 4.4036 7.9250 116.9116 52.4589 18.5948 176.7022 79 D 4.9531 7.4966 116.3525 52.9479 44.3099 175.0672 80 D 4.2387 7.7824 121.3174 53.0464 41.4261 176.3030 81 V 4.4018 8.0395 123.2664 60.7382 32.4279 176.1726 82 A 4.4393 7.9329 135.0000 51.3563 18.3902 178.4499 83 E 3.8898 8.7007 113.4907 59.2649 30.0036 177.1120 *89 F 4.6153 7.8066 118.7750 57.5389 40.7364 173.5011 90 R 5.2076 8.8061 124.7665 54.5822 31.7348 175.7131 91 V 4.4394 8.9010 125.8590 60.1354 35.1262 174.1768 92 D 4.7977 8.8114 125.2859 52.7086 40.7191 176.5067 93 V 3.6686 8.5173 128.5232 65.9814 31.6948 178.4684 94 R 3.9059 8.1752 117.6505 58.7275 29.8906 177.4509 95 D 4.6512 7.9747 116.1825 54.6408 41.2798 177.9914 96 V 3.9281 7.5697 119.1884 64.0021 32.5214 176.4114 97 V 3.6596 7.2102 117.0255 62.8088 32.3044 175.3031 98 E 4.2339 8.5353 125.8495 56.8135 30.1691 176.9323 99 E 3.8257 8.8577 117.5486 57.0013 27.1291 176.5425 100 A 3.7308 7.4353 122.2171 54.9565 18.7647 179.6527 101 D 4.4921 8.2009 115.5294 57.4989 40.9953 177.6775 102 D 4.8084 7.3193 116.1398 53.4182 40.0761 175.9807 103 A 4.8057 7.5918 120.5987 51.4101 22.1946 176.8621 104 D 4.7560 8.6380 121.2633 57.4182 41.6756 175.9665 105 Y 4.8950 7.5464 114.2352 56.2937 41.3505 173.2743 106 V 4.6842 8.9318 120.4452 61.0065 33.8985 174.1599 107 K 4.6868 8.8928 129.3275 54.5262 35.4192 174.5624 108 V 4.5880 8.1813 127.4133 61.7311 33.0771 174.9435 109 L 4.8549 9.2022 128.2230 52.7120 44.5731 176.6316 110 G 4.3316 7.8189 105.3666 45.8909 0.0000 173.9527 111 A 4.3691 8.0601 121.7835 52.1907 20.5464 179.5051 112 G 3.9844 8.9443 108.5974 44.2866 0.0000 172.2709 113 Q 4.6171 8.2528 117.1244 54.0218 31.7500 175.5708 114 V 4.3224 8.0432 118.5575 61.6613 32.2969 174.7140 115 R 4.4370 8.6210 124.5491 56.1296 29.9478 175.9204 116 H 4.9477 7.8226 114.5386 53.9929 32.8876 172.3318 117 E 4.7306 8.7221 118.6475 54.8207 30.2116 175.4296 118 L 5.0454 8.5391 124.5500 53.1492 45.2757 176.0071 119 T 4.9664 8.7662 119.9432 62.0785 70.1155 172.6918 120 L 5.1481 8.7155 127.0870 53.3058 44.1925 175.8477 121 I 5.5283 8.8260 123.6398 58.8982 40.1153 174.6284 122 A 4.7760 8.5193 127.0268 50.8610 22.7904 176.0965 123 D 4.5536 8.6671 118.2731 56.4119 41.9242 176.1370 124 D 4.7510 7.1445 115.6753 53.7316 44.4416 174.3570 125 F 5.4398 8.7720 120.7307 55.8064 43.3605 174.5161 126 S 4.5706 8.7878 116.3484 57.6535 64.7742 174.6587 127 E 4.0229 9.2411 122.0815 59.9415 29.2650 179.7142 128 G 3.6845 8.1998 104.4220 47.5282 0.0000 175.3340 129 A 4.0833 8.0441 123.1970 55.0731 18.3548 179.9707 130 R 3.7307 7.9164 116.0291 59.4578 30.3126 178.6176 131 E 3.9499 8.1638 118.3144 59.6869 29.6180 179.9358 132 K 3.9766 8.0578 118.0904 59.3892 32.2890 179.7065 133 V 3.6981 7.8388 118.4834 66.1684 31.4883 178.0166 134 E 4.7206 8.0924 120.2395 58.7749 29.0604 179.4762 135 G 3.7573 8.0764 104.7719 46.5250 0.0000 174.2706 136 A 4.8062 7.6878 121.9119 51.3096 20.8274 176.3920 137 G 3.5756 8.2334 106.1399 48.7239 0.0000 173.6763 138 G 4.4371 7.8956 104.9223 43.9390 0.0000 172.6150 139 S 5.0728 8.9058 113.1380 56.2632 66.7383 173.2672 140 V 4.4679 8.2003 120.6649 61.1121 33.7030 174.2705 141 E 4.6549 9.4949 128.4138 54.3521 31.7614 175.0555 142 L 4.8642 8.6018 127.6974 54.9835 42.9387 176.7498 143 T 4.2192 8.5995 122.9316 63.3085 69.8137 175.4314 144 D 4.6149 8.7358 123.4670 57.1259 40.5328 178.9272 145 L 4.0697 7.9008 119.5753 57.9806 42.3017 178.8079 146 G 4.1346 7.5793 104.5024 46.0366 0.0000 174.2232 147 E 4.4334 7.8484 122.7354 55.7120 27.7774 176.3294 148 E 4.3192 7.8019 118.5517 57.6176 32.6004 175.8397 149 R 3.9208 7.8966 118.9138 56.8581 29.4085 176.2409 150 Q 4.2815 8.1949 122.3027 56.7859 29.2161 173.4061 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 T 8.16 4.29 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 2 S 8.26 4.46 0.00 4.09 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 3 K 9.21 4.02 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.53 7.81 4 K 8.04 3.87 0.00 1.83 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.51 7.81 5 K 7.61 4.01 0.00 1.69 2.02 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.54 4.35 0.00 1.95 1.93 0.00 3.21 0.00 0.00 3.21 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 7 Q 8.09 4.13 0.00 1.89 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.94 0.00 0.00 0.00 0.00 0.00 2.59 2.41 0.00 8 R 7.56 4.01 0.00 1.79 1.91 0.00 3.35 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 9 G 9.05 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 10 S 8.05 4.14 0.00 3.98 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 11 R 7.99 4.18 0.00 1.98 2.10 0.00 3.20 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 12 T 7.61 4.25 4.32 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 1.31 0.00 0.00 13 H 8.51 4.81 0.00 3.30 3.41 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.55 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.15 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.89 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 17 S 8.58 4.19 0.00 3.88 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 18 H 8.84 4.47 0.00 3.31 3.37 0.00 5.57 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.84 4.08 0.00 1.73 1.83 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.36 7.81 20 N 7.49 4.33 0.00 2.75 2.59 0.00 0.00 6.98 7.15 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 21 R 7.41 4.32 0.00 1.76 1.89 0.00 3.16 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 22 R 7.33 4.61 0.00 1.73 1.08 0.00 3.16 0.00 0.00 3.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.75 0.00 23 G 8.48 4.03 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 0.00 0.00 0.00 24 A 8.66 4.36 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 25 G 8.01 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.09 4.48 0.00 3.19 3.46 0.00 5.92 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.76 4.51 0.00 2.04 1.92 0.00 3.34 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 28 G 8.24 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 29 G 8.38 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 30 R 8.46 4.19 0.00 1.90 1.86 0.00 3.29 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 31 G 8.12 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 32 D 8.56 4.77 0.00 2.82 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 33 A 7.42 4.02 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 34 G 8.96 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 35 R 7.55 3.82 0.00 1.57 2.08 0.00 2.73 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 36 D 7.97 5.07 0.00 2.74 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 37 K 8.63 4.46 0.00 1.81 1.33 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.51 7.81 38 H 9.89 4.40 0.00 3.31 3.46 0.00 5.47 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 39 E 7.68 4.72 0.00 1.92 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 2.26 2.10 0.00 40 F 7.82 4.98 0.00 3.10 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 41 H 5.82 3.49 0.00 2.90 3.05 0.00 5.80 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.73 4.15 0.00 2.78 2.79 0.00 0.00 6.76 8.16 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 43 H 7.64 4.73 0.00 3.29 3.15 0.00 5.93 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.85 4.08 0.00 2.03 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 2.33 2.31 0.00 45 P 0.00 4.47 0.00 2.19 2.09 0.00 3.80 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 2.01 2.01 0.00 46 L 8.21 4.06 0.00 1.66 1.65 0.91 0.93 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 47 G 8.11 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 48 K 7.88 4.47 0.00 1.77 1.77 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.42 7.81 49 S 8.65 4.34 0.00 3.78 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 50 G 9.00 4.03 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 0.00 0.00 0.00 51 F 8.30 4.95 0.00 3.14 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 52 K 8.36 4.29 0.00 1.70 1.65 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.22 1.35 7.81 53 R 8.11 4.50 0.00 1.77 1.89 0.00 3.30 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.49 0.00 54 P 0.00 4.36 0.00 2.23 2.21 0.00 3.79 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 2.11 2.03 0.00 55 Q 8.92 3.95 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.99 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 56 K 7.98 4.40 0.00 1.87 1.92 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.43 7.81 57 V 7.84 4.24 2.21 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 0.84 0.00 0.00 0.95 0.00 0.00 58 Q 7.48 4.43 0.00 2.29 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.41 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 59 E 8.56 4.68 0.00 2.06 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 2.31 2.32 0.00 60 E 8.75 4.54 0.00 1.97 1.78 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 2.11 2.17 0.00 61 A 8.35 4.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 4.48 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 63 T 8.09 5.37 4.18 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 1.10 0.00 0.00 64 I 7.75 4.45 1.83 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 1.33 1.21 0.92 0.00 0.00 65 D 8.63 5.21 0.00 2.74 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 66 V 8.35 3.67 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 0.86 0.00 0.00 0.99 0.00 0.00 67 R 7.85 3.89 0.00 1.96 1.99 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 68 E 8.02 3.94 0.00 2.00 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 2.30 2.33 0.00 69 I 7.61 3.81 2.01 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 1.52 0.70 0.89 0.00 0.00 70 D 8.45 4.24 0.00 2.83 2.66 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 71 E 8.19 4.12 0.00 2.01 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 2.34 2.53 0.00 72 N 7.58 4.96 0.00 2.60 2.71 0.00 0.00 6.82 7.58 0.00 0.00 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 V 7.11 3.20 0.67 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 0.19 0.00 0.00 0.45 0.00 0.00 74 T 7.59 4.03 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 1.24 0.00 0.00 75 L 7.76 4.11 0.00 1.75 1.75 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.67 4.41 0.00 1.82 1.64 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.96 4.14 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 78 A 7.92 4.40 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 79 D 7.50 4.95 0.00 2.85 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.78 4.24 0.00 3.02 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.04 4.40 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 0.41 0.00 0.00 1.00 0.00 0.00 82 A 7.93 4.44 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 83 E 8.70 3.89 0.00 2.05 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 2.25 2.32 0.00 *89 F 7.81 4.62 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 90 R 8.81 5.21 0.00 1.83 1.85 0.00 3.22 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 91 V 8.90 4.44 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 0.71 0.00 0.00 0.95 0.00 0.00 92 D 8.81 4.80 0.00 2.81 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 93 V 8.52 3.67 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 0.95 0.00 0.00 0.98 0.00 0.00 94 R 8.18 3.91 0.00 2.03 1.99 0.00 3.26 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 95 D 7.97 4.65 0.00 2.66 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 96 V 7.57 3.93 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 0.79 0.00 0.00 0.93 0.00 0.00 97 V 7.21 3.66 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 0.80 0.00 0.00 0.96 0.00 0.00 98 E 8.54 4.23 0.00 2.05 1.82 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 2.36 2.30 0.00 99 E 8.86 3.83 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 2.26 2.26 0.00 100 A 7.44 3.73 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 0.00 101 D 8.20 4.49 0.00 2.67 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 0.00 102 D 7.32 4.81 0.00 2.67 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 0.00 103 A 7.59 4.81 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 0.00 104 D 8.64 4.76 0.00 2.79 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 0.00 105 Y 7.55 4.89 0.00 3.12 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.93 4.68 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 0.83 0.00 0.00 0.90 0.00 0.00 107 K 8.89 4.69 0.00 1.77 1.46 0.00 1.87 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.34 7.81 108 V 8.18 4.59 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 1.05 0.00 0.00 0.81 0.00 0.00 109 L 9.20 4.85 0.00 1.77 1.56 0.91 0.81 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 0.00 110 G 7.82 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 0.00 0.00 0.00 0.00 111 A 8.06 4.37 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 0.00 112 G 8.94 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 0.00 0.00 0.00 0.00 113 Q 8.25 4.62 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 114 V 8.04 4.32 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 0.94 0.00 0.00 0.95 0.00 0.00 115 R 8.62 4.44 0.00 1.76 1.84 0.00 3.15 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 116 H 7.82 4.95 0.00 3.12 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.72 4.73 0.00 2.06 2.26 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 2.29 2.24 0.00 118 L 8.54 5.05 0.00 1.64 1.63 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.77 4.97 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 1.23 0.00 0.00 120 L 8.72 5.15 0.00 1.80 1.87 1.09 0.60 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 0.00 121 I 8.83 5.53 2.06 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 1.19 1.66 1.07 0.00 0.00 122 A 8.52 4.78 0.72 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 0.00 0.00 123 D 8.67 4.55 0.00 2.92 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 0.00 124 D 7.14 4.75 0.00 2.77 2.55 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 0.00 0.00 0.00 0.00 125 F 8.77 5.44 0.00 2.89 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 0.00 126 S 8.79 4.57 0.00 3.97 4.03 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 0.00 127 E 9.24 4.02 0.00 2.08 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 2.51 2.42 0.00 128 G 8.20 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.04 4.08 1.54 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 0.00 0.00 130 R 7.92 3.73 0.00 2.03 1.93 0.00 3.14 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 131 E 8.16 3.95 0.00 2.17 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 2.55 0.00 132 K 8.06 3.98 0.00 1.91 1.86 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.57 7.81 133 V 7.84 3.70 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 1.04 0.00 0.00 1.05 0.00 0.00 134 E 8.09 4.72 0.00 2.06 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 2.40 2.21 0.00 135 G 8.08 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 0.00 136 A 7.69 4.81 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 0.00 137 G 8.23 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.90 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 0.00 139 S 8.91 5.07 0.00 3.81 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 0.00 140 V 8.20 4.47 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 -0.31 0.00 0.00 0.13 0.00 0.00 141 E 9.49 4.65 0.00 1.96 1.88 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 2.23 2.21 0.00 142 L 8.60 4.86 0.00 1.74 1.64 1.21 1.13 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 0.00 143 T 8.60 4.22 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 0.00 144 D 8.74 4.61 0.00 2.69 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 0.00 145 L 7.90 4.07 0.00 1.64 1.85 0.95 1.00 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 0.00 146 G 7.58 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 0.00 147 E 7.85 4.43 0.00 2.29 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 148 E 7.80 4.32 0.00 1.81 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 2.13 2.50 0.00 149 R 7.90 3.92 0.00 1.80 1.95 0.00 3.31 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 150 Q 8.19 4.28 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.65 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 * Residues marked with a * may have inaccurate shift predictions.