NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.7863 8.3027 117.7788 55.7257 30.3913 170.3406 3 K 4.3872 8.7320 125.4747 53.6518 33.7810 172.8815 4 L 4.9836 9.4182 131.9891 53.5504 43.9994 174.8789 5 I 4.5363 8.8499 127.4913 59.6259 39.7556 174.4879 6 I 4.8245 8.6529 127.8552 59.2815 39.8752 174.4393 7 K 4.9986 8.9811 128.3586 54.7970 35.4546 174.4045 8 Y 4.9434 9.2984 127.3891 57.1323 42.5641 173.9922 9 N 3.9577 9.3243 127.2924 54.6718 37.8561 174.5276 10 K 4.1520 7.9969 111.3882 56.6509 30.4948 176.1755 11 Q 4.6275 8.1693 119.2621 54.6674 29.9637 174.5844 12 L 5.0493 8.3202 121.9598 53.2957 45.3544 175.7131 13 K 4.3388 8.5162 124.2646 55.0744 36.7136 174.4654 *15 L 4.0451 8.3771 118.8706 55.4908 43.3769 176.0990 16 N 4.8214 8.3873 120.8449 51.6063 39.1143 174.7047 17 L 3.5006 8.1610 125.5767 54.2062 42.2349 177.2402 18 R 4.7335 9.0253 123.1185 53.7601 32.4703 175.0193 19 D 4.7417 8.9763 120.5910 56.4428 41.2583 177.1735 20 G 3.9134 9.6577 114.7286 45.4709 0.0000 173.2345 21 K 4.5029 8.0554 118.8467 55.0748 33.9675 175.5999 22 T 5.1290 7.6877 109.5163 60.4582 71.8390 172.5572 23 Y 5.1316 9.0530 119.2827 56.9378 43.3919 174.1678 24 T 5.1437 9.4141 116.9985 61.9664 72.9641 173.0932 25 I 4.9527 8.5560 126.8371 59.9350 39.9570 175.1082 26 S 4.5522 8.3804 120.9504 58.3034 66.1435 175.1946 27 E 4.4658 8.8387 117.1692 57.0444 29.9520 176.6944 28 D 4.4694 7.9620 120.5956 53.9095 41.6686 176.9102 29 E 4.1782 8.6720 124.9596 58.2530 29.6785 177.8579 30 R 4.2209 9.0128 116.9098 56.4121 30.6868 176.6249 31 A 4.2665 7.4435 121.0780 51.8389 19.0060 177.2602 32 D 4.6338 8.6988 119.4169 56.9487 41.8136 177.4657 33 I 4.5713 7.9819 118.7027 59.7288 41.1395 174.6995 34 T 5.1077 8.5660 123.4642 61.7577 71.0652 173.2788 35 L 4.8626 8.7647 126.3528 52.3927 45.1004 176.6017 36 K 4.1023 8.9618 123.6207 58.0026 33.3315 176.5839 37 S 3.7949 8.6554 115.2899 59.6893 60.8907 174.0455 38 L 3.4931 8.1219 122.7736 57.2784 42.1298 178.3510 39 G 3.9251 9.2420 103.6584 46.2195 0.0000 172.4464 40 E 4.6818 7.5575 116.7274 54.5507 33.6780 174.3701 41 V 4.5135 8.1140 119.4254 61.2062 34.4010 174.5547 42 I 4.6321 8.8085 128.4946 59.8930 40.1958 174.0143 43 H 5.2644 9.6766 125.2449 54.4023 30.8979 174.0562 44 L 5.4180 9.0223 123.9397 53.2094 43.8550 175.4335 45 E 5.2342 9.0712 120.3442 55.7631 33.3013 174.4007 46 Q 4.4898 8.0301 119.5912 54.8998 30.3883 176.2013 47 N 4.6577 8.4339 120.2424 51.7595 39.1520 175.3109 48 N 4.3926 8.5781 114.4630 55.1976 37.3469 175.3982 49 Q 4.3082 8.2355 116.7528 55.5423 29.0793 176.2213 50 G 3.6829 8.1263 105.9354 45.5273 0.0000 173.8476 51 T 4.1517 8.0078 117.7026 62.4698 69.8844 174.3118 52 W 4.4934 8.7352 126.5661 56.9228 30.0246 175.2285 53 Q 5.1969 9.5098 122.5078 54.0385 33.1857 174.1037 54 A 4.9355 8.9276 123.7474 50.3152 21.2362 176.7215 55 N 4.1112 9.6004 122.7246 55.2448 36.7518 174.9347 56 H 4.4286 8.1000 108.2397 56.4444 26.7874 174.9541 57 T 4.5787 7.6077 117.2163 61.3229 70.1753 174.1499 58 S 4.6186 8.6786 122.9621 59.0333 63.5110 174.6357 59 I 3.9396 8.5513 126.5997 63.3737 38.1922 177.7477 60 N 4.0263 7.6790 115.3185 54.8488 37.4724 175.5124 61 K 4.1264 8.7582 125.2955 59.8596 32.7980 175.6788 62 V 4.8954 7.4482 116.9441 61.2266 34.8540 173.4382 63 L 4.8602 9.0924 128.4039 53.2579 45.6132 175.0213 64 V 4.9764 8.4748 124.6914 61.1020 34.4232 174.4279 65 R 4.6781 8.8524 127.1171 54.1551 33.3107 174.3985 66 K 4.3851 9.0075 126.0493 56.7658 32.8617 176.5375 67 G 4.3805 8.5815 113.6556 43.6566 0.0000 172.2166 68 D 4.5478 8.8970 118.0625 57.0522 40.7126 178.3817 69 L 4.5722 8.0894 115.3569 54.0970 42.9534 175.0666 70 D 4.3426 7.3719 117.1352 53.6329 43.7826 174.1534 71 D 4.9639 8.6825 120.6912 54.2144 42.0821 176.2363 72 I 4.7605 8.8470 122.4970 60.1632 39.5154 174.7004 73 T 5.0146 8.9880 124.4970 61.6835 71.1889 173.2805 74 L 5.0592 8.9999 126.7817 52.9335 44.4679 175.1176 75 Q 4.7849 9.0945 125.7634 54.0621 31.7318 173.5811 76 L 4.9859 8.4241 129.1178 53.6241 43.6896 174.9578 77 Y 5.0091 9.0244 124.5860 56.5766 41.0583 174.8543 78 T 5.0718 8.9676 112.1408 59.4039 72.6753 174.4399 79 E 4.0156 8.8475 118.0080 58.9921 29.4790 179.0247 80 A 4.0804 7.7028 121.5994 54.6146 18.6266 177.6978 81 D 4.8475 8.5101 114.9243 54.5968 41.4625 175.1582 82 Y 4.9770 7.7186 121.5146 56.9459 39.8181 174.3826 83 A 4.5489 8.0821 126.1228 50.8081 23.5696 175.0315 84 S 4.8056 7.8891 114.3267 56.6051 67.0517 173.2240 85 F 5.2776 9.0166 122.2565 55.4421 42.4518 174.3650 86 A 4.4684 8.9026 125.7014 51.5295 19.0661 177.1293 87 Y 4.0942 7.7942 118.9797 57.1722 38.6919 174.9552 88 P 4.3741 0.0000 0.0000 62.9153 32.1673 176.8237 89 S 4.3715 8.9081 116.9418 60.6507 62.6068 174.9421 90 I 4.4765 7.6226 110.6165 61.1681 39.4393 175.9475 91 Q 4.1514 8.0840 117.5997 56.2378 29.1584 174.9959 92 D 4.0884 8.5081 118.0767 53.8413 41.3767 175.4979 93 T 5.3302 7.5908 106.5933 58.8694 71.7820 172.4921 *95 T 4.3932 8.0586 109.5214 62.0213 70.6737 172.8696 96 I 4.5377 8.0045 123.2617 60.0685 40.6962 175.1725 97 G 4.2015 7.9899 112.7668 45.8096 0.0000 171.3895 98 P 4.7244 0.0000 0.0000 63.0630 32.2048 175.8853 99 N 4.2795 8.0017 117.7426 52.2896 39.1292 176.1642 100 A 3.9245 8.1688 124.3038 54.8559 18.5741 178.0440 101 Y 4.5455 6.7829 111.3950 57.1647 38.8443 175.6965 102 D 4.9604 7.3121 120.5212 54.0334 41.2776 176.4013 103 D 4.4205 8.2740 118.7657 55.5907 41.6478 175.7580 *105 V 4.1476 7.7327 119.1226 62.8990 33.2710 174.2135 106 I 4.6821 8.5741 128.7377 59.4590 39.5117 176.5060 107 Q 4.0096 9.0250 127.5864 58.7745 28.7359 178.5665 108 S 4.2606 7.9135 110.6920 60.0388 63.5581 174.4197 109 L 4.1702 7.2325 120.5914 54.0954 42.8491 175.6046 *111 N 4.4389 8.3137 115.0869 53.7511 39.5000 173.9785 112 A 4.7259 8.2405 122.8561 51.1442 20.7870 176.4219 113 I 4.8537 8.4198 112.7442 59.1627 41.6244 174.2470 114 I 4.8935 8.6012 123.3330 59.5920 39.8549 174.7003 115 I 5.1192 8.3958 126.5041 59.4621 40.0925 174.7525 116 K 4.5818 8.9313 125.5138 55.8002 36.6351 176.2962 117 D 4.4838 8.1500 116.2215 54.9933 38.7045 176.2999 118 F 4.1224 6.6827 115.4753 58.6865 38.2453 177.4367 119 Q 3.9753 7.2250 120.4383 58.1052 28.7192 177.2021 120 S 4.8529 7.2595 109.6576 57.0966 63.4514 175.8665 121 I 3.4766 7.5174 124.1158 64.7465 37.2797 177.7392 122 Q 4.1367 8.0549 117.7767 58.6004 28.4472 178.0221 123 E 4.2774 7.9387 118.8891 58.7257 29.9739 178.5710 124 S 4.1235 7.8491 112.8454 59.0895 63.4639 175.2844 125 Q 3.9112 8.9930 119.9520 55.9884 26.6420 171.7283 126 Y 5.2110 7.0744 114.5752 55.8255 41.5995 173.9492 127 V 4.5680 8.9178 112.4935 59.6622 36.4250 174.7547 128 R 5.1243 8.8546 120.1778 54.5195 33.2431 174.9791 129 I 4.9269 8.8941 123.4684 59.1869 40.7868 174.1393 130 V 4.9726 8.9847 129.4945 61.3956 33.9732 173.9530 131 H 5.4097 8.7632 122.4161 53.8855 32.3522 172.5455 132 D 4.7200 8.5377 119.1096 51.8430 40.6886 177.3186 133 K 4.1337 8.4679 117.8222 59.0052 32.5739 177.2675 134 N 4.7555 8.4747 116.2896 53.1764 38.8113 174.4624 135 T 4.5298 7.6937 115.9659 61.6148 70.5153 173.4167 136 D 4.4823 8.6764 127.0019 53.5596 41.8354 175.8145 137 V 4.6186 7.9002 123.3708 61.1830 34.3334 173.4723 138 Y 5.1423 9.1914 124.9517 56.2264 41.4536 174.6473 139 I 4.6922 8.3450 123.6324 59.7548 40.4015 175.6955 140 N 4.1675 9.8096 126.4261 54.7746 36.5481 174.1051 141 Y 3.5665 7.4263 108.9542 58.7947 35.9271 169.3506 142 E 4.7578 7.8756 120.4989 53.7431 31.7499 175.0365 143 L 3.7848 8.6212 128.3266 55.0777 42.6849 176.0847 144 Q 4.3453 8.2982 125.6530 55.3536 29.8807 175.8004 145 E 4.1738 8.6992 122.0231 59.0712 30.1935 177.5327 146 Q 4.2299 7.6830 115.5951 55.6688 29.5737 176.4539 147 L 3.8739 8.3689 119.7953 56.9636 43.0304 176.8097 148 T 5.0306 7.7838 114.9454 61.6733 70.9967 173.4762 149 N 5.1068 9.1329 123.3299 51.2037 42.9191 173.8647 150 K 4.6205 8.5898 121.2586 55.9592 33.4832 176.3742 151 A 4.6454 9.0369 125.9055 50.3604 21.6835 175.4122 152 Y 4.8113 9.4142 120.2483 57.5928 39.8853 175.8159 153 I 3.9870 8.5423 122.8736 63.3193 37.5117 176.7920 154 G 4.0394 9.2711 114.2972 45.2568 0.0000 173.6987 155 D 4.6747 8.1692 119.6027 54.6268 42.4036 174.9917 156 H 5.0102 9.0835 118.2121 54.0656 31.5020 173.4820 157 I 4.8856 8.2953 123.6463 59.6469 40.5832 174.0156 158 Y 5.2582 8.8945 126.2659 55.8921 42.2541 174.5366 159 V 4.4916 8.2754 125.0724 61.2173 35.1773 174.1704 160 E 3.7178 9.8370 125.3294 57.3935 26.9418 175.8340 161 G 4.4760 7.9441 104.9137 45.9335 0.0000 173.1008 162 I 4.8044 7.3464 113.4962 58.6982 40.7837 174.2609 163 W 5.3382 8.7797 134.1190 55.8908 33.0815 174.6264 164 L 5.0645 8.4939 125.6907 52.7759 45.9101 175.0329 165 E 4.5476 8.3951 122.0557 54.1293 32.8498 174.7532 166 V 4.1808 8.2375 127.6120 62.9403 32.7919 174.8967 167 Q 4.9638 8.8235 125.2626 53.7764 33.0017 176.3110 168 A 4.0277 8.9121 122.9366 54.8190 18.6924 178.1850 169 D 4.8600 8.4614 113.1332 52.4363 41.1246 176.8452 170 G 2.6628 5.5259 106.3114 45.6053 0.0000 170.8026 171 L 5.1098 7.3997 119.8047 53.0127 45.4250 175.6888 172 N 5.1579 8.7422 119.5658 51.9587 41.1376 174.3235 173 V 5.1400 8.8134 121.2669 61.2632 35.9689 174.0444 174 L 5.3581 9.3176 125.9461 53.0980 44.6164 175.6084 175 S 5.0941 9.1465 118.9287 57.0787 65.0044 174.1045 176 Q 4.7451 9.2272 124.7506 56.6517 29.1079 175.4927 177 N 5.0864 7.4567 115.1996 50.8181 41.0762 174.7322 178 T 3.9502 8.3877 110.9248 62.2124 69.2326 173.3409 179 V 4.5622 8.3668 123.2884 61.1603 33.5237 174.1847 180 A 4.8528 8.5735 129.9790 50.3877 20.6769 175.7062 181 S 4.8261 8.6815 115.4351 57.3997 65.2923 174.1391 182 S 4.5125 8.6809 118.5334 58.7552 63.6963 174.2772 183 L 4.4412 7.6873 121.5751 54.2935 42.6919 176.7447 184 I 3.9770 8.2615 122.0254 61.5114 38.4254 175.3803 185 R 4.3454 8.5285 126.2295 55.2299 30.7456 176.5029 186 L 4.2050 8.3435 124.1847 54.8457 41.3509 177.0405 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 2 H 8.30 4.79 0.00 3.16 3.09 0.00 5.76 0.00 0.00 0.00 0.00 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.73 4.39 0.00 1.60 1.50 0.00 0.88 0.00 0.00 1.38 0.00 0.00 2.36 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.40 7.81 4 L 9.42 4.98 0.00 1.34 1.26 0.84 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.85 4.54 1.97 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 1.47 1.07 0.51 0.00 0.00 6 I 8.65 4.82 1.77 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 1.02 0.73 0.86 0.00 0.00 7 K 8.98 5.00 0.00 1.70 1.63 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.44 7.81 8 Y 9.30 4.94 0.00 2.96 2.79 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 9 N 9.32 3.96 0.00 1.74 2.39 0.00 0.00 7.32 6.29 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 10 K 8.00 4.15 0.00 1.99 2.02 0.00 1.85 0.00 0.00 2.38 0.00 0.00 3.04 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.43 7.81 11 Q 8.17 4.63 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.77 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 12 L 8.32 5.05 0.00 0.81 1.36 0.35 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.52 4.34 0.00 1.52 1.53 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.50 7.81 *15 L 8.38 4.05 0.00 1.24 1.07 0.52 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.39 4.82 0.00 2.50 2.68 0.00 0.00 7.07 7.85 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 17 L 8.16 3.50 0.00 0.42 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 18 R 9.03 4.73 0.00 2.02 1.92 0.00 3.24 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 1.59 1.79 0.00 19 D 8.98 4.74 0.00 2.73 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 20 G 9.66 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 21 K 8.06 4.50 0.00 1.98 1.39 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.55 7.81 22 T 7.69 5.13 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 1.21 0.00 0.00 23 Y 9.05 5.13 0.00 2.92 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 24 T 9.41 5.14 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 1.16 0.00 0.00 25 I 8.56 4.95 1.80 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 1.22 0.70 0.82 0.00 0.00 26 S 8.38 4.55 0.00 3.82 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 27 E 8.84 4.47 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 2.47 2.21 0.00 28 D 7.96 4.47 0.00 2.72 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 29 E 8.67 4.18 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 2.24 0.00 30 R 9.01 4.22 0.00 1.85 1.97 0.00 3.17 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 31 A 7.44 4.27 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 32 D 8.70 4.63 0.00 2.83 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 33 I 7.98 4.57 1.82 0.00 0.00 0.75 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 0.88 0.85 0.00 0.00 34 T 8.57 5.11 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 1.33 0.00 0.00 35 L 8.76 4.86 0.00 1.46 1.58 0.86 0.62 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 36 K 8.96 4.10 0.00 1.90 1.85 0.00 1.87 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.45 7.81 37 S 8.66 3.79 0.00 4.14 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 38 L 8.12 3.49 0.00 1.65 1.50 -0.08 0.91 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 39 G 9.24 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 40 E 7.56 4.68 0.00 1.79 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 2.14 2.16 0.00 41 V 8.11 4.51 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 0.65 0.00 0.00 0.89 0.00 0.00 42 I 8.81 4.63 1.81 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 1.18 0.49 0.89 0.00 0.00 43 H 9.68 5.26 0.00 3.02 3.21 0.00 5.58 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 44 L 9.02 5.42 0.00 1.79 1.77 0.79 0.74 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 45 E 9.07 5.23 0.00 2.03 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 2.19 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0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.60 4.11 0.00 2.82 2.86 0.00 0.00 7.13 9.02 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 56 H 8.10 4.43 0.00 3.34 3.42 0.00 5.70 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.61 4.58 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 1.22 0.00 0.00 58 S 8.68 4.62 0.00 3.87 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 59 I 8.55 3.94 1.92 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 1.32 0.53 0.89 0.00 0.00 60 N 7.68 4.03 0.00 2.86 2.10 0.00 0.00 6.93 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 61 K 8.76 4.13 0.00 1.67 1.91 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.40 7.81 62 V 7.45 4.90 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 71 D 8.68 4.96 0.00 2.66 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 72 I 8.85 4.76 1.93 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.80 0.84 0.00 0.00 73 T 8.99 5.01 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 74 L 9.00 5.06 0.00 1.70 1.51 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 9.09 4.78 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 1.55 2.09 0.00 76 L 8.42 4.99 0.00 1.56 1.64 0.78 0.89 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 77 Y 9.02 5.01 0.00 2.82 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 78 T 8.97 5.07 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 1.12 0.00 0.00 79 E 8.85 4.02 0.00 2.07 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 2.34 2.23 0.00 80 A 7.70 4.08 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 81 D 8.51 4.85 0.00 2.95 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 82 Y 7.72 4.98 0.00 2.91 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 83 A 8.08 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.89 4.81 0.00 3.67 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 85 F 9.02 5.28 0.00 2.80 2.80 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 86 A 8.90 4.47 1.18 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 87 Y 7.79 4.09 0.00 2.84 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 124 S 7.85 4.12 0.00 3.16 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.99 3.91 0.00 2.50 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 126 Y 7.07 5.21 0.00 2.42 1.80 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 0.00 127 V 8.92 4.57 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 0.67 0.00 0.00 0.99 0.00 0.00 128 R 8.85 5.12 0.00 1.74 1.79 0.00 3.28 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 129 I 8.89 4.93 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 1.15 1.92 1.01 0.00 0.00 130 V 8.98 4.97 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 0.98 0.00 0.00 0.92 0.00 0.00 131 H 8.76 5.41 0.00 3.09 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.54 4.72 0.00 2.93 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 0.00 133 K 8.47 4.13 0.00 1.88 1.98 0.00 1.55 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.46 7.81 134 N 8.47 4.76 0.00 2.86 2.89 0.00 0.00 6.76 8.00 0.00 0.00 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 T 7.69 4.53 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 1.20 0.00 0.00 136 D 8.68 4.48 0.00 2.78 2.52 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 0.00 137 V 7.90 4.62 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 1.06 0.00 0.00 0.73 0.00 0.00 138 Y 9.19 5.14 0.00 2.96 2.80 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 0.00 139 I 8.34 4.69 1.87 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 1.20 1.24 0.92 0.00 0.00 140 N 9.81 4.17 0.00 2.83 2.98 0.00 0.00 7.11 7.64 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 0.00 141 Y 7.43 3.57 0.00 3.25 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 0.00 142 E 7.88 4.76 0.00 2.08 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 2.20 2.25 0.00 143 L 8.62 3.78 0.00 1.36 1.46 0.23 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 144 Q 8.30 4.35 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 145 E 8.70 4.17 0.00 1.93 1.97 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 2.26 2.25 0.00 146 Q 7.68 4.23 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.12 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 147 L 8.37 3.87 0.00 1.51 1.71 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 148 T 7.78 5.03 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 1.19 0.00 0.00 149 N 9.13 5.11 0.00 2.57 2.75 0.00 0.00 6.59 8.50 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 0.00 150 K 8.59 4.62 0.00 1.45 1.09 0.00 1.31 0.00 0.00 0.61 0.00 0.00 2.34 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.94 1.19 7.81 151 A 9.04 4.65 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 0.00 152 Y 9.41 4.81 0.00 3.11 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 0.00 153 I 8.54 3.99 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 1.32 0.72 0.97 0.00 0.00 154 G 9.27 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 0.00 155 D 8.17 4.67 0.00 2.82 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 0.00 156 H 9.08 5.01 0.00 3.04 2.88 0.00 5.76 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 0.00 157 I 8.30 4.89 1.72 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 1.04 0.67 0.86 0.00 0.00 158 Y 8.89 5.26 0.00 2.94 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.28 4.49 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 0.46 0.00 0.00 0.91 0.00 0.00 160 E 9.84 3.72 0.00 2.00 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 2.24 2.26 0.00 161 G 7.94 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 0.00 162 I 7.35 4.80 1.89 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 1.19 0.76 0.93 0.00 0.00 163 W 8.78 5.34 0.00 3.24 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 0.00 164 L 8.49 5.06 0.00 1.33 1.29 0.85 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.40 4.55 0.00 1.16 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 2.12 2.03 0.00 166 V 8.24 4.18 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 0.81 0.00 0.00 0.91 0.00 0.00 167 Q 8.82 4.96 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.57 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 168 A 8.91 4.03 1.34 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 0.00 169 D 8.46 4.86 0.00 2.79 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 0.00 170 G 5.53 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 0.00 0.00 0.00 171 L 7.40 5.11 0.00 1.51 1.45 0.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 172 N 8.74 5.16 0.00 2.78 2.78 0.00 0.00 6.35 7.26 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 0.00 173 V 8.81 5.14 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 1.10 0.00 0.00 1.05 0.00 0.00 174 L 9.32 5.36 0.00 1.38 1.22 -0.41 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 175 S 9.15 5.09 0.00 3.90 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 0.00 176 Q 9.23 4.75 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.56 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 177 N 7.46 5.09 0.00 2.71 2.72 0.00 0.00 6.95 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 0.00 178 T 8.39 3.95 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 1.23 0.00 0.00 179 V 8.37 4.56 2.24 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 0.63 0.00 0.00 0.99 0.00 0.00 180 A 8.57 4.85 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 0.00 181 S 8.68 4.83 0.00 3.41 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 0.00 182 S 8.68 4.51 0.00 4.02 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 0.00 183 L 7.69 4.44 0.00 1.60 1.71 0.80 0.87 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 0.00 184 I 8.26 3.98 1.88 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 1.36 0.74 0.90 0.00 0.00 185 R 8.53 4.35 0.00 1.61 1.67 0.00 3.12 0.00 0.00 2.93 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.70 0.00 186 L 8.34 4.21 0.00 1.37 1.50 0.85 0.71 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 * Residues marked with a * may have inaccurate shift predictions.