NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 4.7933 8.1827 115.7671 56.3435 39.7622 176.8217 13 V 3.4385 7.9914 122.8523 66.8077 31.2064 174.9784 14 A 3.9857 8.6956 120.3804 55.2703 18.9809 178.4652 15 E 4.0940 8.2413 116.6556 59.6846 29.4955 179.5382 16 L 4.0613 8.3171 119.1304 57.6413 41.4984 178.9361 17 N 4.3500 8.3130 116.1750 56.0725 38.9184 175.6404 18 N 4.7585 7.6341 115.6007 53.5268 39.0137 175.2042 19 L 4.6197 7.7895 120.6417 53.9950 42.3252 175.8055 20 L 4.1625 7.7999 121.2527 56.9208 42.0890 177.4861 21 G 3.9825 9.2066 114.7437 45.3004 0.0000 173.2530 22 R 4.6080 7.9658 119.1205 54.5969 32.7959 175.0049 23 E 4.7647 8.5967 122.3381 56.0125 30.5716 175.8622 24 V 4.7442 9.0126 119.3854 59.5909 36.6781 173.9207 25 Q 5.0981 8.9386 122.6897 54.3691 32.0059 174.1846 26 V 4.7049 9.0407 126.2540 61.1587 34.5418 174.0370 27 V 4.6904 8.5474 128.4792 61.6440 33.1144 174.7671 28 L 5.3524 8.9364 128.4101 53.1823 43.8052 177.8785 29 S 4.3852 9.2090 116.3440 60.2215 63.2590 174.5458 30 N 4.6877 8.2511 118.2490 52.8044 37.1419 176.1073 31 G 4.0123 8.1502 108.3353 45.7428 0.0000 174.3018 32 E 4.2678 8.5415 119.6641 56.2655 31.2802 176.2410 33 V 4.8109 7.9602 120.7508 61.6350 34.9398 173.3955 34 Y 4.9637 8.9020 125.9156 56.1385 40.4949 174.8689 35 K 5.0110 8.9544 123.7340 54.5828 35.3662 175.8395 36 G 4.1331 8.2547 110.5067 45.7999 0.0000 172.0349 37 V 4.3302 7.7850 120.3807 62.2710 32.7149 174.9884 38 L 4.2403 9.0798 131.1512 55.9522 42.1625 176.3424 39 H 4.6389 8.9788 126.9600 57.6073 31.3815 174.9211 40 A 4.6007 7.4788 116.5383 50.9314 22.2785 175.4811 41 V 4.9788 8.4636 120.5191 61.2009 35.0566 174.0479 42 D 5.0863 8.3677 125.5118 50.9383 42.1899 176.4568 43 N 4.2005 8.7052 115.7391 56.3226 38.3854 176.2612 44 Q 3.9153 8.0297 114.0883 55.4754 29.1396 175.7291 45 L 3.8445 8.1086 117.3134 55.5498 39.3755 174.4655 46 N 4.9261 8.5084 115.8269 53.6763 40.0458 174.2930 47 I 4.9322 8.6791 121.0715 59.6933 41.7780 174.3777 48 V 4.6871 8.8872 126.3102 61.0926 33.8136 174.3227 49 L 5.2321 8.7282 127.0881 52.8766 45.3227 175.0843 50 A 4.8432 8.7469 123.5202 50.6411 21.6807 176.1994 51 N 4.2032 8.6837 117.8264 54.3955 36.8264 173.6176 52 A 5.2443 8.3492 120.5421 50.5701 22.7430 177.5272 53 S 5.7945 9.5442 113.4873 55.8232 67.3235 172.8612 54 N 5.3935 8.2514 117.7954 50.0213 39.8631 175.4893 55 K 3.7714 8.5132 117.1954 59.6278 32.0332 178.2636 56 A 4.0616 7.8848 118.6680 52.7603 18.3421 178.1096 57 G 3.9440 8.3250 105.0028 44.9016 0.0000 174.0654 58 E 4.0520 8.0614 119.7278 56.1956 30.5659 176.0768 59 K 5.0024 8.0251 121.9614 54.6561 35.3038 175.5975 60 F 4.8098 9.3517 121.5987 55.7602 42.9282 175.1546 61 N 4.5470 9.2350 122.1606 56.5617 39.7866 174.6698 62 R 5.0013 7.8249 114.4876 54.3579 34.5855 174.9063 63 V 4.0576 8.3696 121.9272 61.0955 34.6577 174.1039 64 F 4.9179 8.8657 126.9882 56.5429 39.9223 174.9532 65 I 4.4533 8.5781 130.4760 60.3924 39.9516 176.2367 *67 Y 4.7464 8.4836 119.0447 58.0670 39.7972 177.4598 68 R 3.5517 6.9944 118.1461 58.6939 30.2162 176.6977 69 Y 4.3670 7.7213 112.9513 57.7102 38.3958 174.3464 70 I 4.5651 7.5129 122.1763 60.8418 37.5093 175.9059 71 V 4.0997 9.0570 128.7585 65.3783 32.0354 175.4747 72 H 4.9508 7.7310 113.3074 54.7577 31.7263 171.8661 73 I 5.0003 8.2672 119.5770 59.6774 39.7082 174.8132 74 D 5.1858 9.4122 126.4894 52.0885 44.4430 176.1024 75 S 4.5346 8.6853 116.0082 58.6081 63.7857 174.1016 76 T 4.4857 8.3322 110.0761 61.4397 70.2721 173.9771 77 E 4.5415 7.9017 121.2114 55.1107 31.1483 175.7727 78 R 4.3934 8.1257 119.9344 55.2424 31.3906 177.0546 79 R 4.1838 8.2022 119.5389 55.8344 30.8220 176.8692 80 I 3.8891 7.7938 113.6748 60.3927 38.5025 175.4270 81 D 4.4642 8.1858 121.6020 54.1043 42.4078 176.7194 *83 R 3.8116 8.3710 117.5177 56.0453 32.0593 177.9335 84 E 3.9411 8.4925 118.0942 59.0519 29.5002 178.5247 85 F 3.5694 8.2757 120.7496 61.0365 39.2882 176.8229 86 A 4.0707 8.1401 119.8033 55.1785 18.2329 179.1475 87 K 3.8034 8.1860 118.1202 60.0520 32.3814 178.9928 88 Q 4.0921 8.1590 117.8715 58.6736 28.5738 178.4203 89 A 4.0767 8.2013 122.4826 54.8894 18.3172 179.0903 90 E 3.9133 8.4811 118.2339 59.6443 29.4468 179.3171 91 K 4.0522 7.4846 115.8140 59.3661 32.1148 178.8858 92 I 3.8056 6.9882 118.0901 62.2399 38.5641 176.3533 93 F 4.9674 8.4110 116.6781 54.3896 38.9836 173.0105 94 P 4.3508 0.0000 0.0000 63.4719 32.4320 176.9761 95 G 3.5551 9.0198 112.3810 46.2185 0.0000 173.7727 *97 V 4.2210 7.3380 115.9084 62.6598 33.3478 175.4590 98 K 4.6792 8.9102 125.8585 54.9034 35.8947 174.4282 99 Y 4.8997 8.7805 126.3304 56.5088 40.8630 173.9334 100 I 3.9638 8.2165 128.1132 59.2751 38.5619 176.0927 101 E 3.6627 8.5225 129.4608 58.8440 29.9136 178.2810 102 E 3.8964 8.2125 118.8011 58.9578 29.4703 177.3112 103 T 4.4340 7.2273 103.6814 60.1138 70.0559 172.7900 104 N 4.1006 7.5498 117.9921 54.4944 37.7976 173.4494 105 V 4.6588 7.3309 116.4747 60.9812 35.9776 174.5700 106 V 4.8602 8.7046 124.9357 61.1565 34.3367 174.0668 107 L 5.0605 9.1709 128.2402 53.3305 43.9798 175.6029 108 I 4.3991 8.4376 124.1283 60.2412 39.8436 176.4093 109 G 4.0181 8.5128 118.9337 45.5043 0.0000 172.0103 110 D 4.7136 8.6111 118.4614 53.3519 40.0505 176.6891 111 K 4.5094 7.9093 117.1356 55.9097 33.8995 175.5591 112 V 4.6371 7.5112 118.5823 60.9128 34.6376 174.1861 113 R 4.9561 8.8686 127.0910 54.4910 33.5944 173.7525 114 V 4.7698 9.0333 126.2053 61.1695 34.7381 174.5282 115 S 5.1488 8.7772 122.7643 56.0784 66.3080 174.2980 116 E 4.2848 8.9408 115.9313 57.8910 29.4211 177.1225 117 I 4.2478 9.2438 119.6818 60.9716 38.1460 175.8119 118 G 3.3063 6.4259 107.7663 43.5994 0.0000 171.6195 119 V 4.5464 7.3532 119.6606 60.9223 33.2667 174.8398 120 E 4.5098 10.4289 127.1545 54.6515 31.2616 174.8587 121 G 4.5197 7.6857 107.5769 43.2488 0.0000 172.8114 122 V 4.3155 7.9660 119.1301 61.7314 34.7617 173.7900 123 G 3.8182 8.8105 109.7821 43.6830 0.0000 172.9993 124 P 4.2602 0.0000 0.0000 65.5587 31.1288 179.2870 125 V 3.7581 7.8090 116.3313 65.9541 31.5832 177.7091 126 A 4.0085 7.9700 120.0471 55.3463 18.2589 179.3419 127 E 4.0057 8.5582 117.3232 59.4539 29.5040 179.5925 128 R 4.0069 8.3922 118.6877 59.4393 30.1737 178.4529 129 A 4.4266 8.5335 120.6845 55.1975 18.2803 179.8143 130 K 4.1015 8.3031 117.2337 59.6419 32.2371 179.7415 131 R 4.0200 8.2295 118.5104 59.1844 29.9171 178.9213 132 L 4.1159 8.2589 120.1782 58.1470 42.2459 178.6158 133 F 4.2872 9.1175 121.1369 61.7032 39.2567 177.0115 134 E 4.2439 8.9218 118.3175 59.2812 28.9902 178.8228 135 E 3.9553 8.0249 118.5021 59.3057 29.8288 178.6616 136 F 4.0212 8.2951 117.3908 60.6071 38.8018 177.6100 137 L 4.0990 7.8108 117.0391 57.8939 41.4738 179.5676 138 K 4.1802 8.3400 117.9206 59.0403 32.0355 177.8673 139 R 4.1981 7.6101 122.1624 56.4227 30.1193 176.2476 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 8.18 4.79 0.00 3.25 3.41 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 13 V 7.99 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 1.09 0.00 0.00 0.89 0.00 0.00 14 A 8.70 3.99 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 8.24 4.09 0.00 2.13 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 2.43 2.45 0.00 16 L 8.32 4.06 0.00 1.92 1.77 1.09 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.31 4.35 0.00 2.76 3.07 0.00 0.00 7.25 7.63 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 18 N 7.63 4.76 0.00 2.88 2.84 0.00 0.00 6.84 8.81 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 19 L 7.79 4.62 0.00 1.84 1.64 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.80 4.16 0.00 1.70 1.60 0.97 1.20 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 21 G 9.21 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 22 R 7.97 4.61 0.00 1.84 1.86 0.00 3.31 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 23 E 8.60 4.76 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 24 V 9.01 4.74 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 0.65 0.00 0.00 1.01 0.00 0.00 25 Q 8.94 5.10 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 26 V 9.04 4.70 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 0.94 0.00 0.00 0.97 0.00 0.00 27 V 8.55 4.69 1.74 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 0.90 0.00 0.00 0.85 0.00 0.00 28 L 8.94 5.35 0.00 1.94 1.65 1.02 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 29 S 9.21 4.39 0.00 4.04 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 30 N 8.25 4.69 0.00 2.85 2.93 0.00 0.00 6.21 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 8.15 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 32 E 8.54 4.27 0.00 2.17 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 2.35 2.44 0.00 33 V 7.96 4.81 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 8.90 4.96 0.00 3.00 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 5.01 0.00 1.59 1.70 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.50 7.81 36 G 8.25 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 37 V 7.78 4.33 2.22 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 0.99 0.00 0.00 0.95 0.00 0.00 38 L 9.08 4.24 0.00 1.81 1.72 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 39 H 8.98 4.64 0.00 3.13 3.41 0.00 6.04 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 7.48 4.60 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 8.46 4.98 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 0.94 0.00 0.00 0.97 0.00 0.00 42 D 8.37 5.09 0.00 2.89 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 43 N 8.71 4.20 0.00 2.68 2.87 0.00 0.00 6.85 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 8.03 3.92 0.00 1.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.54 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 45 L 8.11 3.84 0.00 1.77 1.92 0.64 1.27 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 46 N 8.51 4.93 0.00 2.95 2.86 0.00 0.00 6.80 6.85 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 47 I 8.68 4.93 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 1.18 0.91 0.93 0.00 0.00 48 V 8.89 4.69 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 0.62 0.00 0.00 1.08 0.00 0.00 49 L 8.73 5.23 0.00 1.53 1.51 0.98 0.71 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 50 A 8.75 4.84 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 8.68 4.20 0.00 2.80 2.85 0.00 0.00 6.83 7.99 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 52 A 8.35 5.24 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 9.54 5.79 0.00 3.88 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 54 N 8.25 5.39 0.00 2.35 1.86 0.00 0.00 6.74 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.51 3.77 0.00 1.70 1.88 0.00 1.73 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 1.37 1.35 7.81 56 A 7.88 4.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.33 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 8.06 4.05 0.00 1.98 1.57 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 2.30 2.44 0.00 59 K 8.03 5.00 0.00 1.43 1.60 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.48 7.81 60 F 9.35 4.81 0.00 2.93 2.89 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 61 N 9.23 4.55 0.00 2.79 2.85 0.00 0.00 6.96 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 7.82 5.00 0.00 1.47 1.00 0.00 3.18 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.44 0.00 63 V 8.37 4.06 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 0.38 0.00 0.00 0.71 0.00 0.00 64 F 8.87 4.92 0.00 2.85 2.94 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 65 I 8.58 4.45 1.96 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 0.67 0.94 0.00 0.00 *67 Y 8.48 4.75 0.00 3.26 3.40 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 68 R 6.99 3.55 0.00 1.21 1.29 0.00 2.96 0.00 0.00 3.06 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.12 0.00 69 Y 7.72 4.37 0.00 3.11 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 70 I 7.51 4.57 2.10 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 1.20 0.60 1.04 0.00 0.00 71 V 9.06 4.10 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 0.87 0.00 0.00 1.02 0.00 0.00 72 H 7.73 4.95 0.00 3.26 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.27 5.00 1.76 0.00 0.00 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 1.38 0.72 0.89 0.00 0.00 74 D 9.41 5.19 0.00 2.53 2.53 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 0.00 0.00 0.00 0.00 75 S 8.69 4.53 0.00 3.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.33 4.49 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 77 E 7.90 4.54 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 78 R 8.13 4.39 0.00 1.81 1.86 0.00 3.22 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 79 R 8.20 4.18 0.00 1.80 1.86 0.00 3.58 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 80 I 7.79 3.89 1.60 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.12 0.66 0.00 0.00 81 D 8.19 4.46 0.00 2.72 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 *83 R 8.37 3.81 0.00 1.86 1.72 0.00 3.01 0.00 0.00 3.03 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 84 E 8.49 3.94 0.00 2.16 2.22 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 2.53 2.77 0.00 85 F 8.28 3.57 0.00 2.55 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 86 A 8.14 4.07 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 87 K 8.19 3.80 0.00 1.82 2.02 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 88 Q 8.16 4.09 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.94 0.00 89 A 8.20 4.08 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.48 3.91 0.00 2.20 2.20 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 2.33 2.43 0.00 91 K 7.48 4.05 0.00 1.85 1.81 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.66 7.81 92 I 6.99 3.81 1.46 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 1.28 0.30 -0.31 0.00 0.00 93 F 8.41 4.97 0.00 2.90 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 94 P 0.00 4.35 0.00 2.06 2.05 0.00 3.85 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.30 0.00 95 G 9.02 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.34 4.22 2.36 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 0.92 0.00 0.00 1.05 0.00 0.00 98 K 8.91 4.68 0.00 1.71 1.66 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.37 7.81 99 Y 8.78 4.90 0.00 3.14 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 0.00 100 I 8.22 3.96 1.64 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 1.00 0.85 0.78 0.00 0.00 101 E 8.52 3.66 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 102 E 8.21 3.90 0.00 1.90 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 2.27 2.30 0.00 103 T 7.23 4.43 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 7.55 4.10 0.00 2.82 2.90 0.00 0.00 6.85 8.25 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 0.00 105 V 7.33 4.66 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 0.85 0.00 0.00 0.90 0.00 0.00 106 V 8.70 4.86 2.23 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 1.25 0.00 0.00 1.25 0.00 0.00 107 L 9.17 5.06 0.00 1.58 1.54 0.89 0.60 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 8.44 4.40 1.63 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.32 0.17 0.00 0.00 109 G 8.51 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.61 4.71 0.00 2.75 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 0.00 111 K 7.91 4.51 0.00 1.69 1.80 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.36 7.81 112 V 7.51 4.64 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.86 0.00 0.00 113 R 8.87 4.96 0.00 1.85 1.65 0.00 3.04 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 114 V 9.03 4.77 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 0.59 0.00 0.00 0.99 0.00 0.00 115 S 8.78 5.15 0.00 3.85 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 0.00 116 E 8.94 4.28 0.00 2.11 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 0.00 2.28 2.35 0.00 117 I 9.24 4.25 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.51 0.86 0.00 0.00 118 G 6.43 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.35 4.55 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 0.84 0.00 0.00 0.78 0.00 0.00 120 E 10.43 4.51 0.00 2.06 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 2.18 2.16 0.00 121 G 7.69 4.52 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 0.00 0.00 0.00 122 V 7.97 4.32 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 0.85 0.00 0.00 0.92 0.00 0.00 123 G 8.81 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 0.00 0.00 0.00 124 P 0.00 4.26 0.00 2.23 2.16 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 125 V 7.81 3.76 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 0.58 0.00 0.00 0.96 0.00 0.00 126 A 7.97 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.56 4.01 0.00 2.17 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 2.59 2.49 0.00 128 R 8.39 4.01 0.00 2.36 2.47 0.00 3.34 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 129 A 8.53 4.43 1.58 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 0.00 130 K 8.30 4.10 0.00 2.06 2.08 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.70 7.81 131 R 8.23 4.02 0.00 2.24 2.07 0.00 3.18 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 132 L 8.26 4.12 0.00 2.11 2.13 0.36 1.13 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 0.00 133 F 9.12 4.29 0.00 3.50 3.25 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 0.00 134 E 8.92 4.24 0.00 2.35 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 0.00 2.45 2.54 0.00 135 E 8.02 3.96 0.00 2.27 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 2.28 2.29 0.00 136 F 8.30 4.02 0.00 3.20 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 0.00 137 L 7.81 4.10 0.00 1.92 1.84 1.23 1.01 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 0.00 138 K 8.34 4.18 0.00 1.71 1.88 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.85 7.81 139 R 7.61 4.20 0.00 1.79 1.79 0.00 2.90 0.00 0.00 3.05 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 * Residues marked with a * may have inaccurate shift predictions.