NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6175 8.3649 119.5485 53.2753 42.6179 175.6514 4 D 4.4908 7.5959 120.2802 53.4528 41.7612 175.4469 5 I 3.6494 8.9279 123.4942 63.3114 38.3396 176.2745 6 F 4.9954 7.6612 118.5985 55.7297 42.4265 175.2004 7 E 4.2724 8.6443 118.5010 55.5394 30.3133 178.2190 8 R 4.2832 8.2469 118.5946 56.7066 31.6504 177.9899 9 G 4.2313 8.2588 113.8631 46.1973 0.0000 174.2475 10 S 5.0883 8.9933 120.7196 56.0154 66.2669 173.2428 11 K 3.5399 8.4860 123.7202 56.2614 32.3670 176.8613 12 G 3.5138 8.2102 115.3236 45.4224 0.0000 173.5290 13 S 4.2435 8.8053 117.4418 57.6812 62.9688 175.4763 14 S 4.3975 8.3437 121.2116 60.3432 62.8467 175.2564 15 D 4.0900 7.3023 120.2734 56.1323 40.5550 176.6951 16 F 4.1233 7.3134 115.3882 56.4428 41.3594 175.0953 17 F 5.3348 7.5292 116.6040 55.8936 43.5655 173.4978 18 T 4.3809 9.4364 119.1536 63.1771 70.5274 176.1233 19 G 3.7252 8.7134 114.8940 44.4909 0.0000 171.3391 20 N 4.3515 8.3332 116.0054 52.3476 39.8301 174.8827 21 V 4.5720 7.4844 123.0964 60.5750 35.3689 173.8155 22 W 4.8881 9.0209 127.0843 54.7374 32.0293 174.5826 23 V 4.6403 8.7996 124.8889 61.0769 33.5943 173.7478 24 K 4.7356 8.9912 130.9406 55.7820 35.1809 176.3630 *26 L 4.0478 8.6700 115.2420 54.1375 43.5948 176.9147 27 V 4.2540 7.9704 119.7906 61.1432 32.8299 175.7246 28 T 4.0084 8.6461 118.0537 62.0471 69.9471 174.0438 29 D 4.4846 8.2393 121.4503 55.0447 39.5816 174.3367 30 E 3.9777 8.2820 119.5251 59.1061 28.8883 176.6300 31 N 4.5855 8.2665 113.9342 52.6822 39.0100 176.2236 32 G 3.7181 8.2137 106.4626 45.8076 0.0000 175.1240 33 V 3.4928 7.2655 120.3250 65.4246 31.4404 177.2019 34 F 4.4533 8.7694 116.6175 57.2047 39.5894 175.2070 35 N 4.2856 8.3300 118.4065 54.0034 37.8459 173.0844 36 T 5.2031 8.1062 109.9943 62.0601 72.7637 173.4845 37 Q 5.0005 8.9744 124.2997 54.2111 32.7189 174.7640 38 V 4.8946 8.7306 120.8471 61.4767 35.1454 173.8125 39 Y 5.2847 8.6285 124.9779 55.2337 42.1756 173.3892 40 D 5.4477 9.2941 120.0169 52.4042 44.4395 175.0240 41 V 4.9060 8.9872 124.5152 59.8713 35.1294 174.3528 42 V 4.8505 8.7342 123.8553 61.2773 34.1507 173.9571 43 F 5.0594 9.3074 127.8084 55.9777 40.6135 175.8685 44 E 4.6762 8.9966 123.4430 55.1102 31.0113 174.8331 45 P 4.5482 0.0000 0.0000 64.8532 31.6722 177.1086 46 G 3.9400 9.2047 111.6325 44.5023 0.0000 173.5054 47 A 4.6859 8.1230 122.2080 51.9671 20.2062 176.5974 48 R 5.0383 8.9177 115.5975 55.2894 33.1972 174.5095 49 T 4.7042 8.9734 111.1671 61.9873 69.7052 173.7554 50 H 4.6788 8.9830 120.5094 55.1125 30.1432 175.4931 51 W 4.7990 8.9268 120.4724 57.8170 30.1098 175.4746 52 H 5.0970 9.0613 118.7288 55.0868 31.9108 172.0609 53 S 4.9391 8.6573 112.2158 57.1503 67.0654 172.5329 54 H 5.0370 8.5228 116.6412 53.3839 31.3248 173.1384 55 P 4.8008 0.0000 0.0000 64.7416 31.4783 176.9864 56 G 4.3807 7.2555 103.2421 44.0978 0.0000 174.2086 57 G 3.9533 8.6053 108.3876 46.2179 0.0000 172.4800 58 Q 5.3447 8.9293 121.5597 53.9130 32.1942 174.6699 59 I 4.5736 8.6443 122.6599 59.5426 40.6479 174.3866 60 L 5.0660 8.8226 127.1607 52.9246 44.6029 175.6551 61 I 4.7415 8.6685 123.8407 59.4073 40.2477 174.8483 62 V 4.3887 8.7935 129.2680 62.8703 31.8450 176.4061 63 T 4.5848 8.8514 118.1571 62.5575 70.7386 174.6101 64 R 4.4123 8.0760 120.4032 56.4497 33.2718 175.1639 65 G 4.1769 9.8118 110.0229 44.2669 0.0000 171.6481 66 K 4.8152 8.6538 120.6455 55.4359 36.3137 177.2069 67 G 4.4819 8.2627 111.5282 46.1498 0.0000 171.4783 68 F 5.2831 9.1189 117.3595 55.9704 43.9488 173.3840 69 Y 4.8460 8.8433 122.9679 55.7492 42.0146 173.9982 70 Q 4.2260 7.4050 126.4938 54.2711 32.8844 173.3765 71 E 4.9686 8.2834 125.1497 54.6907 31.8518 175.7282 72 R 4.1553 8.8560 124.4265 57.7748 30.4935 177.3059 73 G 3.9936 9.0219 112.6171 45.3678 0.0000 173.0172 74 K 4.7213 7.7033 117.9208 53.3972 35.2083 174.3656 75 P 4.3794 0.0000 0.0000 62.3586 31.8952 176.5481 76 A 4.2789 8.4244 123.2144 52.1897 19.4383 176.5560 77 R 4.6178 9.1211 120.7968 54.5882 32.5321 175.2653 78 I 3.9508 8.2985 126.8944 60.7296 38.3641 175.0347 79 L 5.0338 8.3570 126.6625 52.8199 44.6154 175.6858 80 K 5.0871 9.1131 121.2267 53.1949 36.9494 175.3484 81 K 3.9945 8.6546 120.7829 58.5858 32.1650 176.0001 82 G 4.0582 9.1134 114.7981 45.3341 0.0000 173.7052 83 D 4.5017 8.0897 119.8966 54.3190 42.0753 175.6675 84 V 4.6810 8.2400 121.7476 61.0592 34.0905 174.5158 85 V 4.0751 8.4930 128.0837 61.0997 33.6550 174.0314 86 E 4.7215 8.6046 128.0424 55.1561 30.5775 175.9119 87 I 4.2268 8.8122 128.0449 58.9349 38.5499 174.1546 88 P 4.6582 0.0000 0.0000 61.2918 32.7523 174.5467 89 P 4.3929 0.0000 0.0000 64.7696 31.9010 176.8213 90 N 4.4091 9.6943 118.7487 53.3058 37.3743 174.1192 91 V 4.0902 7.4102 119.0622 62.7196 32.2995 175.5518 92 V 4.4291 8.5030 128.3416 62.8425 32.9656 174.2932 93 H 5.6550 9.1365 122.2756 54.7183 32.5299 171.9862 94 W 5.6554 8.5028 115.4470 55.1695 31.9138 173.5530 95 H 5.1665 9.0810 114.6420 54.0800 32.2294 172.7782 96 G 3.3378 7.8997 106.7901 45.2883 0.0000 172.3237 97 A 4.7354 8.4387 122.6890 51.2524 19.2452 177.3300 98 A 4.8377 8.5524 122.7546 51.4540 19.0488 177.5072 99 P 4.5980 0.0000 0.0000 64.8217 31.4511 177.3148 100 D 4.9774 7.8916 114.4583 52.7457 40.6696 175.2034 101 E 4.9155 7.6903 119.4117 55.0497 33.0863 174.3239 102 E 4.7586 8.9174 124.2235 56.4797 31.5967 175.0594 103 L 5.3011 9.0883 122.3719 53.3906 45.4321 175.1060 104 V 5.2073 9.1113 126.5411 61.4492 34.2414 173.8996 105 H 5.4386 9.1102 121.9148 54.3188 32.4945 172.5679 106 I 4.4351 8.9558 121.2979 60.9080 38.6740 175.2088 107 G 3.6447 8.4995 112.5517 44.0598 0.0000 171.6972 108 I 4.8379 8.5967 124.5862 59.4001 40.4114 174.7524 109 S 5.0820 9.3469 124.8496 56.9191 64.2493 174.0075 110 T 4.6397 8.6746 115.4950 59.8209 71.7301 174.2053 111 Q 3.9080 8.4519 118.3314 57.0548 26.4701 175.8695 112 V 3.6931 8.0229 119.5382 66.1890 32.1597 177.4451 113 H 4.2368 9.1078 114.8256 58.1845 28.2511 176.5620 114 L 3.8418 7.6103 119.5739 56.0567 41.5265 176.1843 115 G 4.2292 7.3891 103.7762 42.0547 0.0000 171.3454 116 P 4.5474 0.0000 0.0000 61.3642 32.3901 175.7676 117 A 3.9498 8.2891 120.3576 52.2743 19.0746 176.5178 118 E 4.4467 8.8110 122.6512 54.4070 31.4189 174.6768 119 W 4.9509 8.8212 127.0772 54.3301 30.9097 174.8654 120 L 4.8546 9.3772 122.5266 55.1494 43.6852 180.1395 121 G 4.0278 9.0192 117.4876 46.5034 0.0000 171.5972 122 S 4.3949 8.4355 116.0847 58.2894 63.8117 174.5941 123 V 3.9904 7.9198 122.3950 62.1784 31.6981 176.8445 124 T 4.1862 8.6953 118.5533 61.1777 70.8609 175.2429 125 E 3.9632 8.6118 121.0304 59.5249 29.3967 179.2376 126 E 3.8912 8.1243 118.6357 59.3879 29.8411 178.4541 127 E 4.0170 8.3052 118.5669 59.7079 29.3182 178.8897 128 Y 3.8234 8.5842 122.1617 61.1167 38.8274 178.7410 129 R 3.8885 8.6221 124.3335 62.0745 29.3443 181.4456 130 K 4.2287 8.1721 123.6990 59.4795 31.7228 180.5864 131 A 4.3289 7.9564 120.9970 54.2865 18.4643 178.2475 132 T 3.5353 7.1337 108.3206 61.8931 70.6497 174.7763 133 E 3.9841 8.4663 119.6969 56.9382 29.7590 181.8181 134 G 4.0581 8.9176 111.9321 45.3436 0.0000 173.5161 135 K 4.2510 7.8923 124.4660 56.2018 32.4698 176.1268 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 3 D 8.36 4.62 0.00 2.71 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 4 D 7.60 4.49 0.00 2.71 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 5 I 8.93 3.65 1.37 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 1.19 0.31 -0.17 0.00 0.00 6 F 7.66 5.00 0.00 3.01 2.87 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 7 E 8.64 4.27 0.00 1.99 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 0.00 2.23 1.90 0.00 8 R 8.25 4.28 0.00 1.49 1.60 0.00 2.94 0.00 0.00 3.04 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.41 0.00 9 G 8.26 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 0.00 0.00 0.00 0.00 10 S 8.99 5.09 0.00 3.76 3.77 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 11 K 8.49 3.54 0.00 1.45 1.47 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.38 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.07 0.98 7.81 12 G 8.21 3.51 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 0.00 0.00 0.00 13 S 8.81 4.24 0.00 3.82 3.66 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 14 S 8.34 4.40 0.00 3.91 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 15 D 7.30 4.09 0.00 1.58 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 0.00 0.00 0.00 16 F 7.31 4.12 0.00 1.77 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.53 5.33 0.00 2.79 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 18 T 9.44 4.38 4.15 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 1.10 0.00 0.00 19 G 8.71 3.73 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 0.00 0.00 0.00 20 N 8.33 4.35 0.00 2.80 2.51 0.00 0.00 6.23 7.68 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 21 V 7.48 4.57 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 0.00 0.00 -0.12 0.00 0.00 0.86 0.00 0.00 22 W 9.02 4.89 0.00 3.26 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 23 V 8.80 4.64 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 0.97 0.00 0.00 0.64 0.00 0.00 24 K 8.99 4.74 0.00 1.78 1.49 0.00 1.87 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.19 1.35 7.81 *26 L 8.67 4.05 0.00 1.69 1.61 0.39 0.09 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 27 V 7.97 4.25 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 0.98 0.00 0.00 0.79 0.00 0.00 28 T 8.65 4.01 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 1.24 0.00 0.00 29 D 8.24 4.48 0.00 3.17 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 30 E 8.28 3.98 0.00 2.00 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 2.32 2.37 0.00 31 N 8.27 4.59 0.00 2.79 2.80 0.00 0.00 7.11 8.58 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 32 G 8.21 3.72 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 0.00 33 V 7.27 3.49 1.61 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 -0.06 0.00 0.00 0.78 0.00 0.00 34 F 8.77 4.45 0.00 3.21 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 35 N 8.33 4.29 0.00 2.92 2.80 0.00 0.00 6.79 7.23 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 36 T 8.11 5.20 4.31 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 1.27 0.00 0.00 37 Q 8.97 5.00 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 38 V 8.73 4.89 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 1.01 0.00 0.00 0.84 0.00 0.00 39 Y 8.63 5.28 0.00 3.12 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 40 D 9.29 5.45 0.00 2.23 2.30 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 41 V 8.99 4.91 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 0.75 0.00 0.00 0.32 0.00 0.00 42 V 8.73 4.85 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 1.15 0.00 0.00 0.98 0.00 0.00 43 F 9.31 5.06 0.00 3.20 3.08 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 44 E 9.00 4.68 0.00 2.12 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 2.55 2.81 0.00 45 P 0.00 4.55 0.00 2.12 2.30 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 46 G 9.20 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 47 A 8.12 4.69 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.92 5.04 0.00 2.16 2.04 0.00 2.27 0.00 0.00 2.93 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.11 0.00 49 T 8.97 4.70 4.51 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 1.62 0.00 0.00 50 H 8.98 4.68 0.00 3.48 3.73 0.00 5.68 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 W 8.93 4.80 0.00 3.48 3.14 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 52 H 9.06 5.10 0.00 2.19 2.49 0.00 5.22 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.66 4.94 0.00 3.75 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 54 H 8.52 5.04 0.00 3.14 3.26 0.00 5.64 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 55 P 0.00 4.80 0.00 2.04 2.12 0.00 3.87 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 56 G 7.26 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 0.00 0.00 0.00 0.00 57 G 8.61 3.95 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 0.00 58 Q 8.93 5.34 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 59 I 8.64 4.57 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.76 0.83 0.00 0.00 60 L 8.82 5.07 0.00 1.32 1.27 0.57 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.67 4.74 1.86 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 1.07 0.79 0.90 0.00 0.00 62 V 8.79 4.39 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 1.10 0.00 0.00 0.95 0.00 0.00 63 T 8.85 4.58 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 1.34 0.00 0.00 64 R 8.08 4.41 0.00 1.90 1.80 0.00 3.19 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 65 G 9.81 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 0.00 0.00 0.00 0.00 66 K 8.65 4.82 0.00 1.79 1.61 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.15 1.25 7.81 67 G 8.26 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.12 5.28 0.00 2.93 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 69 Y 8.84 4.85 0.00 2.86 2.63 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 70 Q 7.41 4.23 0.00 1.60 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.62 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 71 E 8.28 4.97 0.00 1.92 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 1.94 0.00 72 R 8.86 4.16 0.00 1.56 1.66 0.00 2.93 0.00 0.00 2.63 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 73 G 9.02 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 74 K 7.70 4.72 0.00 1.81 1.70 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.52 7.81 75 P 0.00 4.38 0.00 2.06 2.01 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 76 A 8.42 4.28 1.27 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 0.00 0.00 0.00 77 R 9.12 4.62 0.00 1.91 2.02 0.00 3.13 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 78 I 8.30 3.95 1.74 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 0.88 0.64 0.63 0.00 0.00 79 L 8.36 5.03 0.00 1.45 1.46 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 80 K 9.11 5.09 0.00 1.72 1.81 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.17 7.81 81 K 8.65 3.99 0.00 1.74 1.79 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.62 7.81 82 G 9.11 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 83 D 8.09 4.50 0.00 2.65 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 84 V 8.24 4.68 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 0.71 0.00 0.00 0.94 0.00 0.00 85 V 8.49 4.08 1.70 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 -0.07 0.00 0.00 0.67 0.00 0.00 86 E 8.60 4.72 0.00 1.80 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 2.24 0.00 87 I 8.81 4.23 1.85 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 0.66 0.35 0.79 0.00 0.00 88 P 0.00 4.66 0.00 2.09 1.97 0.00 3.68 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 89 P 0.00 4.39 0.00 2.04 2.28 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.23 0.00 90 N 9.69 4.41 0.00 2.89 2.98 0.00 0.00 6.34 7.89 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 91 V 7.41 4.09 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 0.83 0.00 0.00 0.97 0.00 0.00 92 V 8.50 4.43 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 1.15 0.00 0.00 0.93 0.00 0.00 93 H 9.14 5.66 0.00 3.14 3.37 0.00 5.26 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 W 8.50 5.66 0.00 3.22 2.57 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 95 H 9.08 5.17 0.00 3.32 3.51 0.00 5.56 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.90 3.34 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 0.00 97 A 8.44 4.74 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 98 A 8.55 4.84 1.55 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 0.00 0.00 99 P 0.00 4.60 0.00 2.17 2.30 0.00 3.84 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 100 D 7.89 4.98 0.00 2.81 2.81 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 0.00 0.00 0.00 0.00 101 E 7.69 4.92 0.00 2.09 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 2.33 2.33 0.00 102 E 8.92 4.76 0.00 2.34 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 2.43 2.39 0.00 103 L 9.09 5.30 0.00 2.13 1.81 1.01 0.91 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 0.00 104 V 9.11 5.21 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 1.13 0.00 0.00 1.02 0.00 0.00 105 H 9.11 5.44 0.00 3.38 3.44 0.00 5.50 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.96 4.44 1.85 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 1.21 0.85 0.82 0.00 0.00 107 G 8.50 3.64 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 0.00 0.00 0.00 108 I 8.60 4.84 1.80 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 1.12 0.71 0.87 0.00 0.00 109 S 9.35 5.08 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 0.00 110 T 8.67 4.64 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 0.00 111 Q 8.45 3.91 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 112 V 8.02 3.69 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 1.11 0.00 0.00 1.07 0.00 0.00 113 H 9.11 4.24 0.00 3.27 3.53 0.00 5.62 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 0.00 114 L 7.61 3.84 0.00 1.78 1.73 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.39 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 0.00 0.00 0.00 0.00 116 P 0.00 4.55 0.00 2.22 2.11 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 117 A 8.29 3.95 0.66 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 0.00 0.00 118 E 8.81 4.45 0.00 2.05 1.72 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 2.22 2.13 0.00 119 W 8.82 4.95 0.00 3.40 3.37 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 0.00 120 L 9.38 4.85 0.00 1.75 0.85 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 121 G 9.02 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 0.00 122 S 8.44 4.39 0.00 3.68 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 0.00 123 V 7.92 3.99 1.39 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 -0.19 0.00 0.00 -0.46 0.00 0.00 124 T 8.70 4.19 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 1.30 0.00 0.00 125 E 8.61 3.96 0.00 1.99 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 2.30 0.00 126 E 8.12 3.89 0.00 2.13 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 2.38 1.97 0.00 127 E 8.31 4.02 0.00 2.30 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 0.00 2.52 2.43 0.00 128 Y 8.58 3.82 0.00 2.67 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 0.00 129 R 8.62 3.89 0.00 1.80 1.92 0.00 3.33 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 130 K 8.17 4.23 0.00 1.82 1.76 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.33 7.81 131 A 7.96 4.33 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 T 7.13 3.54 3.54 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 -0.39 0.00 0.00 133 E 8.47 3.98 0.00 1.96 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 0.00 2.26 2.13 0.00 134 G 8.92 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 0.00 135 K 7.89 4.25 0.00 2.03 1.90 0.00 1.62 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.52 7.81 * Residues marked with a * may have inaccurate shift predictions.