NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 5.0260 8.1300 115.1856 56.5766 39.8306 176.9246 13 V 3.4411 7.9335 123.0827 66.6924 31.2183 175.0701 14 A 4.0216 8.6906 120.5599 55.1780 18.7815 178.5010 15 E 4.1035 8.2249 116.6458 59.6804 29.6245 179.4823 16 L 4.0464 8.3417 119.1219 57.8597 41.5773 179.2885 17 N 4.3836 8.3991 116.4409 56.1815 38.2025 176.6852 18 N 4.5109 7.9520 117.1695 55.4919 39.2481 175.8042 19 L 4.4867 7.7462 119.1346 53.4427 42.1335 176.1437 20 L 4.2543 7.0941 119.9690 56.4515 41.9319 177.9731 21 G 3.9871 9.4214 111.2981 45.4444 0.0000 173.2796 22 R 4.7370 7.8728 118.8432 54.0242 33.3389 175.0805 23 E 4.6753 8.6192 122.3705 56.5684 30.7587 175.9296 24 V 4.7147 9.0942 118.7821 60.0668 37.3304 173.4081 25 Q 5.0441 8.9012 121.7699 54.4609 32.1165 174.1614 26 V 4.7865 9.0569 126.0069 61.1500 34.6285 174.0641 27 V 4.4321 8.4722 128.5099 61.6947 32.9522 174.8115 28 L 5.3608 8.8762 128.5015 53.1878 43.8035 177.9307 29 S 4.3709 9.1523 116.2443 60.2600 63.2726 174.7104 30 N 4.6273 8.1910 117.7026 53.0666 37.3542 175.6358 31 G 4.0346 8.0855 108.7130 45.4583 0.0000 174.2410 32 E 4.2317 8.4092 119.2429 56.3049 31.2697 176.3729 33 V 4.7781 7.9901 121.0997 61.6379 34.8301 173.4651 34 Y 4.8677 9.0185 126.1213 56.1261 40.5225 174.7082 35 K 4.9737 8.9541 124.9826 54.9936 35.4103 175.3599 36 G 4.1398 8.3647 112.9759 45.8548 0.0000 171.7566 37 V 4.4119 8.0772 120.2773 62.1226 32.9740 175.4087 38 L 4.2428 9.3248 130.8418 55.8856 42.1745 176.3157 39 H 4.6694 9.1889 127.3443 57.9748 31.0957 175.1201 40 A 4.8686 7.6691 117.6866 50.7078 22.5840 175.6448 41 V 4.9995 8.3114 119.8244 60.2443 34.7036 174.1710 42 D 5.0097 8.4797 123.0619 50.9501 41.9902 176.5894 43 N 4.2878 8.6860 115.8451 56.3214 38.3899 176.1722 44 Q 3.9892 7.9994 114.1708 55.0405 28.9358 175.2761 45 L 3.7223 7.9710 117.2084 55.8621 39.5794 174.5787 46 N 4.9287 8.7569 115.5807 53.4440 40.0744 174.5885 47 I 5.0105 8.6303 121.4244 59.6142 41.6661 174.4591 48 V 4.7684 8.9062 125.7561 61.0703 34.3281 174.2185 49 L 5.2738 8.6906 126.7757 52.8781 45.2760 175.0945 50 A 4.9881 8.8021 123.8800 50.5994 21.7131 176.3917 51 N 4.2969 8.2021 117.5367 54.3282 36.8979 173.4863 52 A 5.0932 8.0781 119.8928 51.0622 22.4771 177.5007 53 S 5.8220 9.4721 112.7082 57.4470 67.0721 173.6498 54 N 5.2139 8.3377 118.8168 50.3318 39.7238 175.5727 55 K 3.9537 8.4197 116.8623 58.8750 32.1494 177.9304 56 A 4.2392 8.1540 120.6655 51.8885 18.4105 178.4333 57 G 3.9418 7.9659 105.2339 45.5474 0.0000 174.2089 58 E 4.0160 8.0497 120.4114 56.2967 30.5399 175.8132 59 K 5.0267 8.2217 123.6496 54.8799 34.2534 175.8866 60 F 4.7477 9.1910 122.4893 55.6566 42.8185 175.3886 61 N 4.3822 9.1510 121.9830 56.4239 39.8725 174.7412 62 R 4.9908 7.8272 114.7180 54.2907 34.5267 175.0571 63 V 3.8622 8.1113 121.8826 61.1282 34.5192 174.4542 64 F 4.7683 8.6214 127.8456 56.7695 39.4280 175.1146 65 I 4.4629 8.4064 130.6402 60.2585 39.9069 176.1179 *67 Y 4.7438 8.4755 118.8655 58.1074 39.7096 177.4461 68 R 3.6646 7.0837 117.7467 58.2689 30.2701 176.6164 69 Y 4.3172 7.7713 113.8446 57.5541 38.4892 174.4178 70 I 4.4475 7.6299 122.4286 60.6678 37.4364 175.9745 71 V 4.0404 8.7734 128.5287 65.5242 31.9693 175.4797 72 H 4.9735 7.7245 113.3423 54.7913 31.8126 171.8200 73 I 5.1510 8.2061 118.9701 59.6902 40.4016 174.7799 74 D 5.0766 9.4185 125.7055 52.5625 44.8606 174.8169 75 S 5.0256 8.4502 115.1341 57.0416 65.1505 173.7331 76 T 4.3547 8.7786 115.3996 61.6391 69.5745 174.3024 77 E 4.4631 7.5991 122.6593 55.1143 30.8795 175.4996 78 R 4.4730 8.2926 118.6842 54.6605 30.9562 175.9520 79 R 4.5755 8.1955 120.7792 53.8827 33.3420 175.1093 80 I 3.8017 8.4845 123.9583 61.3798 37.7874 174.7823 81 D 4.9951 8.6542 124.1817 52.3520 44.3199 176.0551 *83 R 3.7673 8.2670 117.1789 56.0371 32.1877 177.9381 84 E 3.8999 8.2479 117.6406 59.3510 29.7682 178.2643 85 F 3.4911 7.9004 120.1259 61.1185 39.2349 176.8423 86 A 3.8397 7.8666 119.6530 55.0569 17.9918 179.4733 87 K 3.8467 7.7560 115.8171 59.8070 32.4391 179.2917 88 Q 4.0336 8.0473 117.9225 58.8795 28.6187 178.6340 89 A 3.9053 8.0188 122.0316 55.0015 18.1092 179.2907 90 E 4.0361 8.2167 117.9059 59.2303 29.4268 179.0867 91 K 3.9897 7.7512 117.8514 58.6469 32.1909 178.5681 92 I 3.9021 7.3612 118.3933 61.6106 38.9193 175.8713 93 F 4.9264 8.3184 117.0036 54.4356 39.1412 173.3251 94 P 4.5080 0.0000 0.0000 63.8614 31.7732 177.0293 95 G 3.5671 8.8912 110.6873 46.4230 0.0000 173.4925 *97 V 4.1596 7.5125 116.9762 62.4893 32.9915 174.6413 98 K 4.6439 8.7634 127.2649 55.2728 35.6657 173.8202 99 Y 4.9425 8.7932 128.4601 56.7309 40.8163 173.8316 100 I 4.3134 8.1250 128.2567 59.2654 38.3851 176.4787 101 E 3.6598 8.4780 126.4741 58.8782 29.9411 178.2919 102 E 4.0457 8.1384 118.5935 58.6772 29.5416 177.5028 103 T 4.3200 7.4671 104.6842 60.2146 70.0913 172.8769 104 N 4.2203 8.0782 119.1911 54.1769 37.8136 173.2802 105 V 4.7494 6.9202 116.4330 59.9204 36.1313 175.6450 106 V 4.9109 8.7988 121.9159 61.3194 34.0696 174.1215 107 L 4.9764 9.2932 128.4626 53.3538 44.1174 175.6453 108 I 4.3467 8.4164 124.2331 60.2773 39.7615 176.7382 109 G 3.8762 8.5820 118.7644 45.0791 0.0000 172.8851 110 D 4.9192 8.5857 121.6144 53.0418 39.5414 176.5059 111 K 4.5457 7.9478 114.8185 56.1378 34.3931 175.8433 112 V 4.5977 7.5216 118.6149 60.9129 34.6132 174.2100 113 R 4.9184 8.7936 127.1568 54.4865 33.4948 173.7186 114 V 4.6122 8.8734 126.3116 61.1606 34.5562 174.5730 115 S 4.9344 8.0807 122.6381 56.3314 65.8823 174.5048 116 E 4.2459 9.0307 118.2084 59.0142 29.2040 177.9379 117 I 4.1730 8.8116 110.3887 60.5197 38.6006 175.3185 118 G 3.3824 6.3442 107.9594 42.7378 0.0000 172.3858 119 V 4.0843 7.3558 120.3312 61.9434 32.3101 174.6556 120 E 4.4880 10.1343 127.9218 53.2342 31.6958 175.5900 121 G 4.4394 7.5796 112.1635 43.8411 0.0000 171.7854 122 V 4.3586 7.5143 112.3324 60.2068 35.7501 175.6964 123 G 3.9126 8.7122 107.3906 44.2077 0.0000 172.4435 124 P 4.2491 0.0000 0.0000 65.7805 31.1314 178.7876 125 V 3.7094 7.9478 115.9764 66.2903 31.2821 177.7422 126 A 4.0154 7.9658 119.7143 55.1741 18.2594 179.3329 127 E 3.9513 8.2857 117.2009 59.6144 29.5532 179.5772 128 R 4.0421 8.5324 118.8119 59.2543 30.0928 178.4621 129 A 4.4022 8.4198 120.9563 54.9503 18.3108 179.7774 130 K 4.0407 8.4713 117.2674 59.7417 32.2146 179.6823 131 R 4.0026 8.1256 118.2862 59.2335 30.0407 178.8351 132 L 4.0934 8.2793 120.0263 58.2463 42.1755 178.6918 133 F 4.3399 9.2381 120.9605 61.3163 39.0723 176.5115 134 E 3.8991 8.5364 118.1358 59.4090 29.5332 178.1013 135 E 4.0714 8.1202 117.7759 59.1965 29.7730 177.9530 136 F 4.4237 8.4777 120.0162 61.4844 39.5128 175.3581 137 L 3.8183 7.5058 121.3340 54.8156 41.5468 176.7116 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 12 F 8.13 5.03 0.00 3.22 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.93 3.44 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 1.07 0.00 0.00 0.90 0.00 0.00 14 A 8.69 4.02 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 15 E 8.22 4.10 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 2.44 2.51 0.00 16 L 8.34 4.05 0.00 1.79 1.78 1.15 0.76 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 17 N 8.40 4.38 0.00 3.07 2.90 0.00 0.00 6.61 6.24 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 18 N 7.95 4.51 0.00 2.87 3.04 0.00 0.00 7.16 7.61 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 19 L 7.75 4.49 0.00 1.87 1.66 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.09 4.25 0.00 1.68 1.63 0.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.42 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 22 R 7.87 4.74 0.00 1.82 1.99 0.00 3.30 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 23 E 8.62 4.68 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 24 V 9.09 4.71 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 0.71 0.00 0.00 0.95 0.00 0.00 25 Q 8.90 5.04 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 26 V 9.06 4.79 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.97 0.00 0.00 27 V 8.47 4.43 1.69 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 0.88 0.00 0.00 0.85 0.00 0.00 28 L 8.88 5.36 0.00 1.95 1.65 0.99 0.65 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 29 S 9.15 4.37 0.00 4.04 4.05 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 0.00 0.00 0.00 30 N 8.19 4.63 0.00 2.85 2.95 0.00 0.00 6.33 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.09 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 32 E 8.41 4.23 0.00 2.21 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 2.35 2.40 0.00 33 V 7.99 4.78 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 1.00 0.00 0.00 0.92 0.00 0.00 34 Y 9.02 4.87 0.00 2.97 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 35 K 8.95 4.97 0.00 1.74 1.63 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.53 7.81 36 G 8.36 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 0.00 0.00 0.00 37 V 8.08 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 0.98 0.00 0.00 0.94 0.00 0.00 38 L 9.32 4.24 0.00 1.91 1.65 0.91 0.89 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 39 H 9.19 4.67 0.00 3.12 3.36 0.00 6.02 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 40 A 7.67 4.87 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 41 V 8.31 5.00 2.14 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 0.83 0.00 0.00 1.00 0.00 0.00 42 D 8.48 5.01 0.00 2.84 2.84 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 43 N 8.69 4.29 0.00 2.68 2.87 0.00 0.00 6.84 7.69 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 44 Q 8.00 3.99 0.00 1.80 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 45 L 7.97 3.72 0.00 1.72 1.86 0.53 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.76 4.93 0.00 3.02 2.85 0.00 0.00 6.82 7.00 0.00 0.00 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 I 8.63 5.01 1.92 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 1.38 1.21 0.94 0.00 0.00 48 V 8.91 4.77 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 0.86 0.00 0.00 1.16 0.00 0.00 49 L 8.69 5.27 0.00 1.52 1.50 0.98 0.85 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 50 A 8.80 4.99 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 51 N 8.20 4.30 0.00 2.86 2.85 0.00 0.00 6.87 6.65 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 52 A 8.08 5.09 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 53 S 9.47 5.82 0.00 3.88 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 54 N 8.34 5.21 0.00 2.28 1.77 0.00 0.00 6.75 6.53 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 55 K 8.42 3.95 0.00 1.69 1.86 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.33 7.81 56 A 8.15 4.24 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 57 G 7.97 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 58 E 8.05 4.02 0.00 2.08 1.73 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 2.36 2.35 0.00 59 K 8.22 5.03 0.00 1.47 1.62 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.37 7.81 60 F 9.19 4.75 0.00 2.96 3.01 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 61 N 9.15 4.38 0.00 2.79 2.85 0.00 0.00 6.94 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 62 R 7.83 4.99 0.00 1.44 0.81 0.00 3.05 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 63 V 8.11 3.86 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 0.42 0.00 0.00 0.66 0.00 0.00 64 F 8.62 4.77 0.00 2.92 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 65 I 8.41 4.46 1.97 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 1.07 0.74 0.93 0.00 0.00 *67 Y 8.48 4.74 0.00 3.29 3.49 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 68 R 7.08 3.66 0.00 1.25 1.43 0.00 2.88 0.00 0.00 2.95 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 69 Y 7.77 4.32 0.00 3.10 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 70 I 7.63 4.45 2.09 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.61 1.01 0.00 0.00 71 V 8.77 4.04 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 0.86 0.00 0.00 0.96 0.00 0.00 72 H 7.72 4.97 0.00 3.17 3.36 0.00 5.45 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.21 5.15 1.76 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.96 0.00 0.00 74 D 9.42 5.08 0.00 2.50 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.45 5.03 0.00 3.78 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 76 T 8.78 4.35 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 77 E 7.60 4.46 0.00 1.93 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 0.00 2.28 2.22 0.00 78 R 8.29 4.47 0.00 1.82 1.87 0.00 2.92 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 79 R 8.20 4.58 0.00 1.76 1.84 0.00 3.35 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 1.51 1.60 0.00 80 I 8.48 3.80 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.45 1.20 0.00 0.00 81 D 8.65 5.00 0.00 2.89 2.65 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 0.00 0.00 0.00 0.00 *83 R 8.27 3.77 0.00 1.84 1.74 0.00 3.04 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.74 0.00 84 E 8.25 3.90 0.00 2.19 2.46 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 2.75 2.59 0.00 85 F 7.90 3.49 0.00 1.66 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 86 A 7.87 3.84 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 87 K 7.76 3.85 0.00 1.89 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.61 7.81 88 Q 8.05 4.03 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 89 A 8.02 3.91 0.95 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 0.00 0.00 90 E 8.22 4.04 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 91 K 7.75 3.99 0.00 1.91 1.79 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.44 7.81 92 I 7.36 3.90 1.39 0.00 0.00 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 1.65 0.62 -0.00 0.00 0.00 93 F 8.32 4.93 0.00 2.98 2.92 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 94 P 0.00 4.51 0.00 2.18 2.09 0.00 3.49 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 95 G 8.89 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 *97 V 7.51 4.16 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 0.78 0.00 0.00 1.04 0.00 0.00 98 K 8.76 4.64 0.00 1.85 1.57 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.41 7.81 99 Y 8.79 4.94 0.00 3.11 2.85 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 0.00 100 I 8.12 4.31 1.65 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 1.17 0.68 0.86 0.00 0.00 101 E 8.48 3.66 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 102 E 8.14 4.05 0.00 1.89 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 2.28 2.33 0.00 103 T 7.47 4.32 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 1.17 0.00 0.00 104 N 8.08 4.22 0.00 2.93 2.92 0.00 0.00 6.92 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 0.00 105 V 6.92 4.75 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 0.71 0.00 0.00 0.93 0.00 0.00 106 V 8.80 4.91 2.38 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 1.23 0.00 0.00 1.30 0.00 0.00 107 L 9.29 4.98 0.00 1.57 1.52 0.88 0.79 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 0.00 108 I 8.42 4.35 1.57 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.24 -0.09 0.00 0.00 109 G 8.58 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 0.00 110 D 8.59 4.92 0.00 2.72 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 0.00 111 K 7.95 4.55 0.00 1.67 1.77 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.36 7.81 112 V 7.52 4.60 2.14 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 0.97 0.00 0.00 0.85 0.00 0.00 113 R 8.79 4.92 0.00 1.84 1.64 0.00 3.03 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 114 V 8.87 4.61 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 0.25 0.00 0.00 0.96 0.00 0.00 115 S 8.08 4.93 0.00 3.87 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 0.00 116 E 9.03 4.25 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 117 I 8.81 4.17 1.88 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 1.18 0.51 0.93 0.00 0.00 118 G 6.34 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 0.00 0.00 0.00 119 V 7.36 4.08 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 0.80 0.00 0.00 0.84 0.00 0.00 120 E 10.13 4.49 0.00 1.90 1.66 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 2.14 2.16 0.00 121 G 7.58 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 0.00 122 V 7.51 4.36 2.08 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 0.74 0.00 0.00 0.92 0.00 0.00 123 G 8.71 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 0.00 124 P 0.00 4.25 0.00 2.22 2.17 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 125 V 7.95 3.71 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 0.77 0.00 0.00 0.96 0.00 0.00 126 A 7.97 4.02 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 0.00 127 E 8.29 3.95 0.00 2.26 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 2.36 2.39 0.00 128 R 8.53 4.04 0.00 2.04 2.40 0.00 3.17 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 129 A 8.42 4.40 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 0.00 130 K 8.47 4.04 0.00 2.06 1.96 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.69 7.81 131 R 8.13 4.00 0.00 2.10 2.05 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 132 L 8.28 4.09 0.00 2.08 2.21 0.95 0.71 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 0.00 133 F 9.24 4.34 0.00 3.16 3.24 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 0.00 134 E 8.54 3.90 0.00 2.17 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 2.35 2.36 0.00 135 E 8.12 4.07 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 136 F 8.48 4.42 0.00 3.17 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 7.51 3.82 0.00 1.43 1.34 0.62 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.