NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.4562 8.2649 123.6045 52.3186 19.9786 175.0042 4 I 4.0151 8.4685 121.8237 62.1955 39.4320 174.9953 5 F 4.9611 7.6046 117.9741 56.6278 40.9594 175.7213 6 T 4.4553 8.8819 115.7288 60.7657 69.8520 175.1504 7 H 4.3364 8.8360 116.2458 57.6575 28.4012 175.7126 8 E 4.3167 7.9571 118.4865 55.9900 29.7807 176.8284 9 G 3.9330 8.5608 108.1241 45.1015 0.0000 173.6844 10 K 4.7467 7.7051 119.2896 55.3043 34.9969 175.4097 11 V 4.8719 8.6599 120.4519 61.4850 33.8954 174.2092 12 E 5.2637 10.0190 126.1651 53.9848 33.8481 175.6344 13 G 3.9955 7.6399 109.2976 45.1323 0.0000 171.3299 14 V 4.3018 7.5228 119.2116 60.7118 32.1383 173.4599 15 P 4.2622 0.0000 0.0000 64.4965 31.4621 175.6720 16 G 4.0394 9.1735 111.5479 45.0855 0.0000 173.2561 17 N 4.9669 8.2898 117.2808 50.9432 40.5397 173.7073 18 Y 4.2504 8.7017 122.7096 57.9184 39.0785 174.4594 19 P 3.0056 0.0000 0.0000 62.8725 32.0808 176.1830 20 L 4.5215 7.9737 121.0241 55.0702 41.9530 176.4430 21 T 4.7942 7.4261 108.5876 60.4523 71.9360 174.3370 22 A 3.8321 8.7051 123.7985 55.6506 18.5009 179.9530 23 E 3.9941 8.2391 116.4737 59.6873 29.5209 179.0493 24 N 4.4305 8.2538 116.7851 56.5202 38.9514 177.0671 25 L 3.9955 8.1913 120.7181 57.3951 41.6059 179.1186 26 F 4.3892 8.5120 120.9905 61.5886 39.3903 177.4616 27 R 3.6537 7.9695 117.5311 59.1393 29.7538 179.0387 28 I 3.7719 8.1622 120.1764 64.3597 37.1669 178.6498 29 G 3.6796 8.2290 106.5228 47.8270 0.0000 175.6707 30 L 3.8955 7.7862 121.3519 57.3729 41.5720 179.5305 31 A 3.9849 8.4126 120.9983 54.9958 18.4095 179.6217 32 L 4.0371 8.1904 117.7727 58.1928 41.7839 179.2862 33 C 3.7293 7.8939 118.3190 62.7230 31.3123 175.6622 34 T 3.8280 7.9053 117.2467 66.4429 67.9535 176.2688 35 L 3.9322 8.1720 122.1893 58.1526 42.1304 179.1779 36 W 3.7645 8.4597 118.6157 59.5439 28.7948 178.7619 37 I 4.5161 7.9274 121.1338 64.0447 36.4202 178.4317 38 L 4.0313 8.0594 118.6035 57.1217 41.7458 177.7392 39 D 4.4476 8.3113 117.2275 56.2268 41.6295 177.5514 40 K 3.8809 7.6702 116.2350 56.7314 32.4620 176.4017 41 E 3.9418 7.9169 115.9399 57.2259 26.6032 174.6244 42 I 4.4056 7.7863 120.9444 59.2940 38.0666 176.8340 43 E 4.0584 8.8885 124.9108 58.6270 29.8851 177.0924 44 E 4.7103 7.6802 117.5119 53.2433 29.2316 174.0818 45 P 4.9116 0.0000 0.0000 62.7618 33.7607 175.4015 46 T 5.2096 9.0596 111.4788 59.9411 71.9205 172.2901 47 L 4.5349 9.0104 127.7661 53.0375 44.5305 174.6638 48 S 5.0647 8.5369 121.7340 56.6576 64.0309 172.7050 49 I 4.5293 8.1098 121.7814 58.8291 39.2268 175.1664 50 P 4.3330 0.0000 0.0000 65.6486 32.0521 175.3692 51 E 4.5411 7.8067 115.8322 55.7894 31.8969 173.9968 52 T 4.5120 8.3611 109.5403 60.1281 69.6294 173.5923 53 N 5.0266 8.8351 123.8715 50.2116 41.9939 174.4845 54 F 4.1087 9.0075 121.0171 61.7477 39.1184 177.1479 55 V 3.3565 8.0335 117.1468 66.2952 31.4684 178.0224 56 T 3.9678 8.4041 109.5382 64.7011 68.5952 176.5270 57 L 3.9709 8.2181 121.7693 57.2521 41.3176 179.1845 58 A 3.8779 7.6924 120.8801 54.7870 18.2205 179.4363 59 L 4.1590 7.6918 118.4806 58.5188 42.1446 179.3534 60 S 4.2340 8.2778 115.3193 61.7093 62.8153 176.8103 61 V 3.7955 8.1796 121.1223 66.0391 30.8416 178.3983 62 G 3.3945 8.1033 105.2269 47.6267 0.0000 175.5171 63 F 4.1657 8.3229 123.2484 61.3549 39.4011 177.2135 64 M 4.4353 8.6874 118.8044 58.4101 31.7908 178.2525 65 N 4.5467 8.4998 116.9409 56.0682 38.9129 175.8264 66 A 4.3407 7.2611 119.4967 51.7424 19.1502 177.6620 67 G 4.0542 7.9761 104.9540 44.5869 0.0000 173.9440 68 G 3.8191 7.9237 107.3297 44.9629 0.0000 173.4011 69 S 5.4365 9.0979 117.8015 57.0473 65.2912 173.5660 70 V 4.9375 8.6434 122.6338 61.1851 34.8508 173.9940 71 N 4.9885 8.7767 122.8608 51.2431 41.4945 173.2909 72 V 4.3180 7.8586 119.8549 62.2167 32.2205 176.0048 73 G 3.8453 8.9083 116.5926 45.6352 0.0000 172.6322 74 K 4.5967 7.6895 119.7695 54.4572 34.4937 176.2692 75 G 3.7718 8.4916 108.3996 46.3878 0.0000 172.8899 76 G 3.9390 7.6829 106.0614 44.5993 0.0000 173.6171 77 D 4.6244 8.7871 121.0185 56.4700 41.5675 177.2606 78 I 4.6879 7.6288 118.0967 59.1304 41.3123 174.8496 79 K 4.6817 9.2480 125.2816 54.3660 35.1190 174.6742 80 L 4.6183 8.3310 127.2906 53.3792 43.5375 175.3910 81 F 4.7655 8.9141 125.0479 55.4642 41.8648 174.1621 82 L 5.1017 8.4813 124.3249 53.2938 45.0199 175.1553 83 Q 4.5386 8.7707 124.9160 54.2522 31.0455 175.8376 84 K 4.0125 9.4823 123.8769 54.7955 34.4672 176.1872 85 G 3.8800 8.5584 106.4897 44.8677 0.0000 171.9598 86 E 4.0692 8.6504 120.2288 58.4004 29.7925 177.7908 87 I 4.7559 7.6241 118.6130 59.6064 39.5571 175.3051 88 Y 4.8041 9.2904 125.3815 57.5197 39.9436 174.9710 89 V 4.3967 8.7741 122.1752 61.3421 34.6899 173.9830 90 L 5.0189 9.0036 129.1666 53.0823 43.9364 175.3687 91 E 4.9820 9.0681 124.5298 54.3791 32.6806 174.2858 92 F 5.4079 8.9651 124.7784 56.1174 41.7333 175.1699 93 Q 4.8476 9.0069 120.7101 53.8367 33.0873 172.2763 94 P 4.9865 0.0000 0.0000 62.1586 33.0925 176.3602 95 L 4.6358 8.3800 124.4586 53.2227 43.0167 175.5506 96 S 4.5325 8.9806 121.9020 56.9386 65.6128 174.7104 97 E 3.9684 8.5869 119.6576 59.6999 29.2106 179.3115 98 T 3.8048 7.7797 116.2937 66.5835 68.5299 175.9947 99 D 4.2791 7.6066 119.3939 57.4657 40.7594 178.8955 100 I 3.2921 7.4588 119.7755 64.3907 37.0678 178.6833 101 K 3.9811 7.8324 118.7084 59.3337 31.9363 179.6317 102 K 4.0430 7.8629 118.5166 59.1662 31.9289 179.4790 103 L 4.0607 8.1775 119.8429 57.8430 41.5861 179.3424 104 E 4.1498 8.5656 118.8561 59.4729 29.1788 179.2416 105 S 4.1788 7.8856 112.2488 61.4657 62.4583 176.1659 106 I 3.9047 7.3854 121.0960 64.2601 36.9906 178.2070 107 L 4.2632 8.3091 121.3210 58.2832 41.7921 180.2113 *108 F 4.3257 8.2918 115.9907 56.8554 37.8882 177.3345 *113 I 3.9505 7.7037 122.3324 60.9398 37.9432 174.3835 114 P 4.3883 0.0000 0.0000 63.0939 31.7991 175.7000 115 K 4.7342 8.1673 119.2370 54.6614 35.9485 176.1868 116 K 4.6016 8.9824 123.4960 56.1223 34.0217 175.6995 117 T 4.5101 7.9723 110.0470 60.8451 72.3992 174.5467 118 G 3.7921 8.6872 109.2769 47.0262 0.0000 175.0489 119 E 4.4663 8.8387 125.1202 57.0203 29.3774 176.8920 120 D 4.6518 7.9614 118.7908 54.8558 41.4726 176.2275 121 I 4.2016 7.3506 120.8665 60.4697 37.8255 176.3902 122 G 4.5064 9.2174 114.2134 46.1382 0.0000 172.7625 123 S 4.9909 8.5470 115.1371 56.7372 66.2395 172.4459 124 F 5.2643 8.6216 121.3223 56.3418 42.3292 173.6561 125 K 4.5261 8.0744 125.2837 54.4341 34.6775 176.3470 126 C 4.3191 8.7512 121.8679 60.0724 28.1338 173.5967 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 A 8.26 4.46 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 4 I 8.47 4.02 1.40 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.85 0.09 0.00 0.00 5 F 7.60 4.96 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.88 4.46 4.29 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 1.34 0.00 0.00 7 H 8.84 4.34 0.00 3.33 3.51 0.00 5.50 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.96 4.32 0.00 1.95 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 2.16 1.74 0.00 9 G 8.56 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 10 K 7.71 4.75 0.00 1.79 1.95 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.48 7.81 11 V 8.66 4.87 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 0.97 0.00 0.00 1.01 0.00 0.00 12 E 10.02 5.26 0.00 1.88 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 2.24 2.32 0.00 13 G 7.64 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 0.00 0.00 0.00 14 V 7.52 4.30 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 1.00 0.00 0.00 0.93 0.00 0.00 15 P 0.00 4.26 0.00 1.78 1.76 0.00 3.40 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.70 0.00 16 G 9.17 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.29 4.97 0.00 2.85 2.76 0.00 0.00 6.45 7.03 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 18 Y 8.70 4.25 0.00 2.95 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 19 P 0.00 3.01 0.00 1.78 1.62 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.86 0.00 20 L 7.97 4.52 0.00 1.93 1.71 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.43 4.79 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 1.42 0.00 0.00 22 A 8.71 3.83 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 0.00 0.00 23 E 8.24 3.99 0.00 2.08 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 2.44 2.35 0.00 24 N 8.25 4.43 0.00 2.90 2.77 0.00 0.00 7.23 6.17 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 25 L 8.19 4.00 0.00 1.87 1.65 0.82 0.88 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 26 F 8.51 4.39 0.00 3.14 3.27 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 27 R 7.97 3.65 0.00 2.05 1.94 0.00 3.30 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.12 0.00 28 I 8.16 3.77 2.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 0.90 0.00 0.00 29 G 8.23 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 30 L 7.79 3.90 0.00 1.64 1.52 0.35 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.41 3.98 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 32 L 8.19 4.04 0.00 1.96 1.82 0.13 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.89 3.73 0.00 1.69 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 34 T 7.91 3.83 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 1.19 0.00 0.00 35 L 8.17 3.93 0.00 1.93 2.12 0.83 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.46 3.76 0.00 3.53 3.17 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 37 I 7.93 4.52 1.99 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 1.81 0.58 0.90 0.00 0.00 38 L 8.06 4.03 0.00 1.62 1.69 0.90 0.90 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 39 D 8.31 4.45 0.00 2.46 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 40 K 7.67 3.88 0.00 1.46 1.58 0.00 1.31 0.00 0.00 0.75 0.00 0.00 2.13 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.30 0.96 7.81 41 E 7.92 3.94 0.00 2.09 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 2.17 2.22 0.00 42 I 7.79 4.41 2.10 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 1.45 1.18 1.10 0.00 0.00 43 E 8.89 4.06 0.00 2.07 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 0.00 2.29 2.35 0.00 44 E 7.68 4.71 0.00 1.84 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 2.20 2.31 0.00 45 P 0.00 4.91 0.00 2.17 2.11 0.00 3.44 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.42 0.00 46 T 9.06 5.21 4.20 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 1.24 0.00 0.00 47 L 9.01 4.53 0.00 0.27 0.44 0.61 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.54 5.06 0.00 3.79 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 49 I 8.11 4.53 1.81 0.00 0.00 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 1.36 0.43 0.83 0.00 0.00 50 P 0.00 4.33 0.00 2.02 2.08 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.83 0.00 51 E 7.81 4.54 0.00 2.05 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 2.13 2.27 0.00 52 T 8.36 4.51 4.30 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 1.40 0.00 0.00 53 N 8.84 5.03 0.00 3.13 3.04 0.00 0.00 6.19 7.57 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 54 F 9.01 4.11 0.00 3.13 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 55 V 8.03 3.36 2.47 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 1.13 0.00 0.00 1.01 0.00 0.00 56 T 8.40 3.97 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 57 L 8.22 3.97 0.00 1.69 1.64 0.86 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.69 3.88 1.01 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 59 L 7.69 4.16 0.00 1.88 1.92 1.10 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.28 4.23 0.00 4.14 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 0.00 61 V 8.18 3.80 2.34 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 1.11 0.00 0.00 0.94 0.00 0.00 62 G 8.10 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 0.00 0.00 0.00 63 F 8.32 4.17 0.00 3.26 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 64 M 8.69 4.44 0.00 2.34 2.21 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 2.99 2.72 0.00 65 N 8.50 4.55 0.00 3.19 2.96 0.00 0.00 7.06 7.55 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 66 A 7.26 4.34 1.14 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 67 G 7.98 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 0.00 0.00 0.00 68 G 7.92 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 69 S 9.10 5.44 0.00 3.82 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.64 4.94 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 1.00 0.00 0.00 1.04 0.00 0.00 71 N 8.78 4.99 0.00 2.61 2.65 0.00 0.00 6.42 7.45 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 72 V 7.86 4.32 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 0.73 0.00 0.00 0.84 0.00 0.00 73 G 8.91 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 0.00 0.00 0.00 74 K 7.69 4.60 0.00 1.82 1.72 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.28 7.81 75 G 8.49 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 0.00 0.00 0.00 76 G 7.68 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 77 D 8.79 4.62 0.00 2.51 2.86 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 78 I 7.63 4.69 1.32 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.72 0.00 0.00 79 K 9.25 4.68 0.00 1.45 1.00 0.00 1.49 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.18 1.29 7.81 80 L 8.33 4.62 0.00 1.37 1.43 0.27 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.91 4.77 0.00 2.87 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 82 L 8.48 5.10 0.00 1.44 1.36 0.77 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.77 4.54 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.43 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 84 K 9.48 4.01 0.00 1.45 1.54 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.97 7.81 85 G 8.56 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 86 E 8.65 4.07 0.00 1.97 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 2.31 2.35 0.00 87 I 7.62 4.76 1.93 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 1.38 0.82 0.97 0.00 0.00 88 Y 9.29 4.80 0.00 2.95 2.86 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 89 V 8.77 4.40 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 1.08 0.00 0.00 0.96 0.00 0.00 90 L 9.00 5.02 0.00 1.68 1.17 1.08 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 91 E 9.07 4.98 0.00 1.98 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 2.30 2.31 0.00 92 F 8.97 5.41 0.00 3.05 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 93 Q 9.01 4.85 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 94 P 0.00 4.99 0.00 2.21 2.17 0.00 4.16 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.18 0.00 95 L 8.38 4.64 0.00 1.76 1.70 1.01 0.93 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 96 S 8.98 4.53 0.00 4.09 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 97 E 8.59 3.97 0.00 2.20 2.25 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 2.35 2.39 0.00 98 T 7.78 3.80 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 1.15 0.00 0.00 99 D 7.61 4.28 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 0.00 100 I 7.46 3.29 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.38 0.69 0.00 0.00 101 K 7.83 3.98 0.00 1.91 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.58 7.81 102 K 7.86 4.04 0.00 1.97 1.81 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.54 7.81 103 L 8.18 4.06 0.00 1.85 1.89 0.78 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.57 4.15 0.00 2.08 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 2.61 2.72 0.00 105 S 7.89 4.18 0.00 3.89 4.09 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 0.00 106 I 7.39 3.90 2.06 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 1.52 0.84 0.91 0.00 0.00 107 L 8.31 4.26 0.00 1.64 1.77 1.06 0.86 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 *108 F 8.29 4.33 0.00 2.25 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 0.00 0.00 0.00 *113 I 7.70 3.95 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.94 0.84 0.00 0.00 114 P 0.00 4.39 0.00 2.01 1.99 0.00 3.59 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 115 K 8.17 4.73 0.00 1.61 1.88 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.37 1.65 7.81 116 K 8.98 4.60 0.00 1.67 1.78 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.64 7.81 117 T 7.97 4.51 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 1.23 0.00 0.00 118 G 8.69 3.79 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 0.00 0.00 0.00 119 E 8.84 4.47 0.00 1.98 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 0.00 2.32 2.28 0.00 120 D 7.96 4.65 0.00 2.92 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 0.00 121 I 7.35 4.20 2.02 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 1.19 0.56 0.99 0.00 0.00 122 G 9.22 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 0.00 0.00 0.00 0.00 123 S 8.55 4.99 0.00 3.96 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 0.00 124 F 8.62 5.26 0.00 3.03 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 0.00 125 K 8.07 4.53 0.00 1.46 1.56 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.46 7.81 126 C 8.75 4.32 0.00 3.03 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 * Residues marked with a * may have inaccurate shift predictions.