NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3411 8.1733 120.0775 56.1535 35.1015 175.0037 3 T 4.8370 8.7935 116.9188 61.2038 71.0090 171.8502 4 I 4.8075 8.5818 126.3349 59.5229 41.7000 173.6895 5 C 4.8295 8.8697 128.3245 58.7996 32.3676 172.4151 6 V 5.1138 8.2724 126.2066 60.4895 34.0265 174.6296 7 F 5.0871 7.7606 117.8358 56.2192 40.4103 172.8154 8 A 4.7639 8.5534 122.2280 50.4704 22.8443 175.6346 9 G 3.6650 8.5217 106.3651 45.5759 0.0000 175.2286 10 S 4.3273 8.5343 115.2243 59.5114 63.5593 173.8333 11 N 5.0159 7.6076 118.1187 50.6996 40.8661 172.9808 12 P 4.2692 0.0000 0.0000 64.7716 31.7860 177.7094 13 G 4.0963 8.2192 105.2227 44.7740 0.0000 174.3442 14 G 3.5698 8.5905 108.7689 46.4448 0.0000 173.0199 15 N 4.8764 7.5908 119.2306 51.1826 41.2629 175.0228 16 E 3.6310 8.6434 124.8007 58.8465 29.6388 178.8198 17 A 3.8565 8.9134 122.1166 55.5132 18.3265 178.5794 18 Y 4.2992 6.6292 114.5527 61.6457 37.9875 179.0420 19 K 3.8956 8.1119 119.2817 59.5920 32.5119 178.5580 20 R 3.8748 7.8140 118.2684 59.6486 30.0631 178.6382 21 K 4.0888 8.5683 118.3098 59.4568 31.8634 179.1827 22 A 4.0615 8.3850 121.0907 55.0567 18.2077 179.5668 23 A 3.9565 7.8780 119.0327 54.9152 18.3919 179.3845 24 E 3.8830 8.0354 117.5614 59.5238 29.5659 178.7552 25 L 4.0489 7.8705 118.9341 58.0956 42.0938 178.9129 26 G 3.6773 7.5483 104.6612 47.6995 0.0000 175.4823 27 V 3.7857 7.9100 121.1511 65.8248 31.6926 177.5166 28 Y 3.9983 8.0360 116.4897 59.1509 38.7630 177.3973 *30 A 4.2468 7.8680 122.0665 51.9691 20.4159 178.6637 31 E 4.0876 8.0863 115.2469 59.4393 29.5533 178.6367 32 Q 3.9027 8.2427 116.1043 56.2666 28.5778 178.0011 33 G 3.9480 7.6364 105.9898 45.2931 0.0000 174.0759 34 I 3.9228 7.0317 120.2880 61.4016 37.4606 176.6203 35 G 3.8888 9.2729 115.3439 45.9024 0.0000 171.9406 36 L 5.3145 8.8749 122.6807 53.2978 45.3277 175.5983 37 V 5.1386 8.1710 122.3427 62.0293 35.1880 173.3221 38 Y 5.1222 9.0024 125.4220 56.2542 41.3528 175.4631 39 G 3.5521 9.0307 107.2196 46.0396 0.0000 171.7069 40 G 2.6606 6.6184 112.0429 44.2566 0.0000 171.6840 41 S 4.5838 7.9630 112.4185 57.7063 65.2896 178.9146 42 R 4.2866 8.8316 127.0628 55.9257 27.6603 177.7861 43 V 4.1587 7.4622 116.3547 63.1084 34.0100 175.4367 44 G 3.8433 8.5937 117.6035 44.6058 0.0000 173.5615 45 L 4.3289 7.4634 117.3071 54.3712 41.2909 179.7350 *47 G 3.8688 8.2311 108.6273 46.0945 0.0000 175.3342 48 T 3.9328 7.4755 116.8633 66.7822 68.3546 176.1968 49 I 3.7864 7.8366 119.6905 64.0460 37.7119 177.9188 50 A 3.7444 7.5666 120.2692 55.3052 18.4488 178.6662 51 D 4.4387 8.6522 116.4683 57.5118 40.9427 178.7462 52 A 4.2956 8.1859 120.5925 55.2602 18.6870 181.1494 53 I 3.6430 7.7719 116.5311 61.8438 37.5253 177.4326 *55 E 4.2550 7.9645 116.6820 56.0864 30.8799 175.7992 56 N 4.9963 7.8330 116.3328 53.0133 39.9063 174.3298 57 G 3.9051 8.3565 102.7528 46.6029 0.0000 174.5852 58 G 4.0096 7.8671 108.9582 44.1553 0.0000 173.1590 59 T 4.8765 8.2629 111.4177 59.2724 71.1786 173.1035 60 A 5.1306 8.4703 128.0492 50.7187 23.1548 174.6134 61 I 4.6511 9.2197 123.7864 59.5551 39.8920 175.0622 62 G 3.7281 8.4631 114.5554 44.4880 0.0000 172.8855 63 V 4.5559 8.2494 127.3631 60.8787 32.9644 173.4293 *65 P 4.3770 0.0000 0.0000 62.4460 32.5827 175.8966 66 S 4.2764 8.3672 116.5322 58.3744 63.4450 174.1916 67 G 3.8653 8.8933 113.1646 45.3571 0.0000 172.8940 68 L 4.5848 7.2905 118.3541 52.6586 43.3298 176.7575 69 F 4.3324 8.9512 121.8601 57.0362 39.6553 176.8699 70 S 4.3844 8.9351 118.8282 61.6586 62.3402 177.0236 71 G 3.5652 8.1793 107.8368 46.8844 0.0000 174.3747 72 E 4.4487 8.3446 118.9172 56.8294 30.0062 177.2675 73 V 4.2435 7.2756 118.0129 63.8311 33.6169 177.3040 74 V 3.5856 8.0794 118.6629 65.9831 31.5392 176.4509 75 H 4.8515 8.0618 115.0013 56.1599 28.3577 175.6517 76 Q 4.4211 7.8034 119.4309 55.1341 29.7555 175.4287 77 N 4.1317 7.4411 111.5780 53.5407 35.4504 172.1850 78 L 4.8929 7.5263 119.2199 52.5938 45.0647 177.9696 79 T 4.2853 8.4236 119.5311 66.5390 69.6451 173.9448 80 E 4.8021 7.6366 116.8357 55.3407 33.0589 174.5995 81 L 4.9131 8.6130 123.2992 53.4169 44.8257 175.6257 82 I 4.5013 8.2705 125.0387 59.3154 40.3047 174.5967 83 E 4.2670 8.8074 128.4816 56.3606 30.6149 175.9124 84 V 4.4868 8.0941 123.0578 61.8606 35.4738 172.5371 85 N 4.9163 8.9298 123.8542 53.1425 40.2617 174.7105 86 G 3.8650 8.2956 111.8216 45.4784 0.0000 174.4034 *88 H 4.6909 8.7412 118.3666 56.1929 31.6174 175.3995 89 E 3.9062 7.9930 118.2753 59.0765 28.9631 178.9843 90 R 3.8103 7.3779 117.4161 59.3170 30.2736 178.1590 91 K 3.9518 7.9394 116.3777 59.5223 32.4212 178.3336 92 A 4.0055 7.7326 120.6964 55.1034 18.1907 180.0727 93 K 4.1715 8.0516 116.5610 57.0226 31.9035 178.6573 *95 S 4.5369 8.0203 113.4219 57.9201 64.0425 175.0255 96 E 3.9672 8.1935 119.4047 59.3553 29.3798 178.1261 97 L 4.0159 7.7707 117.0751 57.2467 41.9075 178.0351 98 A 4.0494 7.3060 120.6372 52.1606 18.6863 176.8846 99 D 4.6037 8.5769 121.2519 54.9362 42.1303 176.2620 100 G 3.9466 6.8178 104.2402 45.8501 0.0000 172.0449 101 F 5.5788 8.9057 117.7949 55.6672 43.4102 174.8822 102 I 4.9795 8.6317 121.1824 59.8478 41.4462 174.5737 103 S 4.5928 9.0614 120.8250 55.5969 66.2668 170.5087 *105 P 3.6015 0.0000 0.0000 62.1978 32.5340 176.5361 106 G 4.2654 6.9814 109.5310 44.7176 0.0000 173.3949 107 G 3.8006 7.6644 106.5393 44.1927 0.0000 174.2187 108 F 4.9415 8.3546 117.8981 60.7310 39.0330 177.5203 109 G 3.7061 8.2251 104.8880 48.3072 0.0000 175.6254 110 T 3.9896 7.9346 118.1358 66.3718 68.4292 176.0935 111 Y 4.5310 7.9674 118.3850 61.2497 37.9797 177.8962 112 E 3.9877 8.5899 120.4252 59.7376 29.6718 178.6705 113 E 3.7252 8.0828 118.7798 58.9700 29.6480 178.3935 114 L 4.2147 8.0026 120.2857 58.6057 42.4250 179.1831 115 F 4.0350 9.0500 117.7239 59.9939 38.5431 177.4287 116 E 4.0764 8.1945 119.0087 59.1187 29.6843 178.6793 117 V 3.5713 7.8121 118.2902 65.9393 31.5328 177.8105 118 L 3.9063 7.6815 118.4452 58.2515 41.2613 179.3012 119 C 3.9835 7.8504 114.6458 61.8902 28.0159 175.3125 120 W 4.5836 7.9408 118.0892 56.0553 29.0946 176.8905 121 A 4.2113 8.5620 124.2197 55.4586 18.1155 179.8885 122 Q 4.5025 7.8026 115.8344 54.6700 27.3927 174.3066 123 I 4.4750 7.6527 119.8186 62.5751 40.8466 176.6290 124 G 3.9296 7.9522 107.3922 45.2520 0.0000 173.6217 125 I 4.0963 8.1230 120.0078 62.9888 37.8444 177.5259 126 H 4.3134 8.3805 117.2207 58.2733 28.9991 173.4640 127 Q 3.3600 8.1479 121.0329 55.9654 27.5901 173.4851 128 K 4.5671 8.6034 121.3563 55.0479 33.7449 175.1286 129 P 4.6565 0.0000 0.0000 62.5718 33.0767 175.0857 130 I 4.9583 8.7450 124.4177 59.5581 39.8423 174.8462 131 G 4.4438 9.2241 113.9533 44.3239 0.0000 171.7470 132 L 4.7640 8.8113 124.6804 52.7206 43.5045 175.4791 133 Y 4.8332 9.2991 127.2073 57.3407 38.0578 175.9460 134 N 4.8941 8.4178 131.0741 52.2165 38.2079 175.1253 135 V 3.7385 7.4600 120.5618 63.8041 32.5155 175.0164 136 N 4.1991 9.4847 124.6466 54.1229 37.3598 173.5018 137 G 4.5509 7.9643 101.1471 45.9795 0.0000 175.4448 138 Y 4.1355 8.0718 121.4416 60.4985 39.0225 177.4355 139 F 4.7832 8.0903 116.0100 58.1672 39.2517 177.1224 140 E 4.1181 8.0928 121.8187 59.0886 29.3884 176.9582 141 P 4.2813 0.0000 0.0000 62.6974 28.8402 176.0244 *144 K 3.8735 8.0852 126.3577 55.9767 33.9212 178.0455 *146 V 4.1320 7.8623 117.0875 62.4680 33.3061 177.3540 147 K 4.1475 8.0836 118.5375 59.7418 31.6860 178.3782 148 Y 4.4530 7.8614 113.9567 60.0007 37.9806 177.5893 149 S 4.8152 8.5668 116.6234 60.2065 64.1182 176.4021 150 I 4.2091 7.8542 123.5263 63.9053 36.7739 177.8087 151 Q 4.2744 8.2614 115.1157 56.4604 28.4543 175.6391 152 E 4.4396 7.5962 118.5213 55.5425 30.4438 175.5775 153 G 3.7989 8.1400 103.6392 47.3086 0.0000 174.6974 154 F 5.0867 8.3083 116.8789 56.7067 41.5765 176.1439 155 S 4.7739 7.8059 115.9148 56.5300 66.8351 173.1147 156 N 4.6158 8.7422 121.9638 52.8220 39.2478 175.9780 157 E 3.9634 8.8279 122.6595 59.1566 29.8799 178.5718 158 S 4.2690 8.0193 111.2108 60.0839 62.9448 174.1839 159 H 4.6638 8.0564 117.7077 56.4863 29.2305 175.2968 160 L 4.6325 8.0470 121.3444 54.6831 41.8880 176.4454 161 K 4.5968 8.0881 112.7313 55.8624 33.3139 175.8494 162 L 4.7135 7.7072 118.1674 54.4497 44.6138 175.6004 163 I 4.6667 7.6733 119.3857 60.2168 39.0980 174.3275 164 H 5.2091 8.9568 125.1290 54.1468 33.0833 172.3893 165 S 5.1341 8.1831 113.1878 56.9629 65.4224 173.0441 166 S 4.7471 8.3676 118.2162 58.1414 66.1458 177.0327 167 S 4.1471 9.0192 120.0307 58.4545 63.7489 174.2561 168 R 4.5041 7.6805 122.1770 54.0843 31.7788 174.3021 169 P 4.3247 0.0000 0.0000 65.6370 31.4526 177.8769 170 D 4.3073 7.1509 118.2642 55.9019 38.8895 178.3888 171 E 3.8890 7.9703 120.7112 58.5155 29.5028 178.3168 172 L 3.9712 8.1369 119.5224 58.2823 42.2011 178.6715 173 I 4.0120 7.9442 119.1527 63.8133 37.1863 177.6781 174 E 4.1804 8.1684 119.8089 59.0561 29.5840 179.9771 175 Q 4.2224 7.9095 116.3576 55.2519 29.6287 177.1960 *177 Q 4.2273 7.8993 119.5242 56.1779 28.7720 174.1193 178 N 5.0514 8.3998 116.1706 52.9014 43.2595 174.2565 179 Y 4.5232 7.9814 122.7780 57.6683 39.2476 174.5906 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 K 8.17 4.34 0.00 1.87 1.88 0.00 1.57 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.40 7.81 3 T 8.79 4.84 4.34 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 1.21 0.00 0.00 4 I 8.58 4.81 1.80 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 1.04 1.21 0.89 0.00 0.00 5 C 8.87 4.83 0.00 2.88 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 6 V 8.27 5.11 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 0.98 0.00 0.00 0.81 0.00 0.00 7 F 7.76 5.09 0.00 3.04 3.07 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 0.00 0.00 0.00 0.00 8 A 8.55 4.76 1.23 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 9 G 8.52 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 0.00 0.00 0.00 10 S 8.53 4.33 0.00 4.00 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 11 N 7.61 5.02 0.00 2.64 2.72 0.00 0.00 6.99 8.02 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 12 P 0.00 4.27 0.00 2.19 2.18 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 13 G 8.22 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.59 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 15 N 7.59 4.88 0.00 2.56 2.00 0.00 0.00 6.71 7.53 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 16 E 8.64 3.63 0.00 2.00 1.86 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 2.34 2.29 0.00 17 A 8.91 3.86 1.09 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 0.00 0.00 18 Y 6.63 4.30 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 19 K 8.11 3.90 0.00 1.85 1.83 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.52 7.81 20 R 7.81 3.87 0.00 2.06 2.06 0.00 3.14 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 21 K 8.57 4.09 0.00 2.16 2.09 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.54 7.81 22 A 8.39 4.06 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 23 A 7.88 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.04 3.88 0.00 2.14 2.28 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 2.37 2.36 0.00 25 L 7.87 4.05 0.00 1.28 1.45 0.77 0.21 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 26 G 7.55 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 27 V 7.91 3.79 2.28 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 1.02 0.00 0.00 0.97 0.00 0.00 28 Y 8.04 4.00 0.00 3.07 3.12 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 0.00 0.00 0.00 *30 A 7.87 4.25 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 31 E 8.09 4.09 0.00 2.06 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 2.30 2.57 0.00 32 Q 8.24 3.90 0.00 1.66 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.62 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 33 G 7.64 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 34 I 7.03 3.92 1.79 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 1.09 0.60 0.90 0.00 0.00 35 G 9.27 3.89 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 0.00 0.00 0.00 36 L 8.87 5.31 0.00 1.64 1.59 0.84 0.41 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 37 V 8.17 5.14 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 0.94 0.00 0.00 0.94 0.00 0.00 38 Y 9.00 5.12 0.00 3.12 2.98 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 39 G 9.03 3.55 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 0.00 40 G 6.62 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 41 S 7.96 4.58 0.00 3.97 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 42 R 8.83 4.29 0.00 2.03 2.10 0.00 3.04 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.61 0.00 43 V 7.46 4.16 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 0.91 0.00 0.00 0.96 0.00 0.00 44 G 8.59 3.84 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 0.00 0.00 0.00 45 L 7.46 4.33 0.00 1.80 1.69 0.85 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 *47 G 8.23 3.87 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 0.00 0.00 0.00 48 T 7.48 3.93 4.39 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 1.27 0.00 0.00 49 I 7.84 3.79 1.86 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 1.31 1.63 0.78 0.00 0.00 50 A 7.57 3.74 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 D 8.65 4.44 0.00 2.75 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 52 A 8.19 4.30 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 53 I 7.77 3.64 1.93 0.00 0.00 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0.00 0.00 72 E 8.34 4.45 0.00 2.11 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 2.36 2.41 0.00 73 V 7.28 4.24 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 1.06 0.00 0.00 1.00 0.00 0.00 74 V 8.08 3.59 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 0.88 0.00 0.00 0.94 0.00 0.00 75 H 8.06 4.85 0.00 3.21 3.28 0.00 5.73 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.80 4.42 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.14 6.35 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 77 N 7.44 4.13 0.00 3.00 2.85 0.00 0.00 6.75 7.73 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 78 L 7.53 4.89 0.00 1.66 1.65 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.42 4.29 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 1.21 0.00 0.00 80 E 7.64 4.80 0.00 2.15 1.98 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0.00 0.00 133 Y 9.30 4.83 0.00 2.91 3.11 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 0.00 0.00 0.00 134 N 8.42 4.89 0.00 2.97 2.77 0.00 0.00 6.69 8.47 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 0.00 135 V 7.46 3.74 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 1.01 0.00 0.00 0.68 0.00 0.00 136 N 9.48 4.20 0.00 2.77 2.94 0.00 0.00 7.20 7.98 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 0.00 137 G 7.96 4.55 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 0.00 138 Y 8.07 4.14 0.00 3.18 2.60 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 0.00 139 F 8.09 4.78 0.00 3.36 3.07 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 0.00 0.00 0.00 0.00 140 E 8.09 4.12 0.00 1.99 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 2.59 2.44 0.00 141 P 0.00 4.28 0.00 1.96 1.96 0.00 3.74 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 *144 K 8.09 3.87 0.00 1.83 1.54 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.69 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 1.29 7.81 *146 V 7.86 4.13 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 0.82 0.00 0.00 0.90 0.00 0.00 147 K 8.08 4.15 0.00 2.01 1.98 0.00 1.77 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.59 7.81 148 Y 7.86 4.45 0.00 2.95 3.07 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 0.00 0.00 0.00 0.00 149 S 8.57 4.82 0.00 4.12 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 0.00 150 I 7.85 4.21 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 2.07 0.99 0.00 0.00 151 Q 8.26 4.27 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.01 0.00 0.00 0.00 0.00 0.00 2.55 2.30 0.00 152 E 7.60 4.44 0.00 2.12 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 2.37 2.26 0.00 153 G 8.14 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 0.00 0.00 0.00 154 F 8.31 5.09 0.00 3.24 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 0.00 155 S 7.81 4.77 0.00 3.90 3.76 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 0.00 156 N 8.74 4.62 0.00 2.70 2.70 0.00 0.00 6.77 7.66 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 0.00 157 E 8.83 3.96 0.00 1.96 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 2.39 2.25 0.00 158 S 8.02 4.27 0.00 4.17 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 0.00 159 H 8.06 4.66 0.00 3.34 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 L 8.05 4.63 0.00 1.55 1.99 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 161 K 8.09 4.60 0.00 1.82 1.81 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.38 7.81 162 L 7.71 4.71 0.00 1.58 1.72 1.05 0.81 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 0.00 163 I 7.67 4.67 1.79 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 1.28 0.69 0.86 0.00 0.00 164 H 8.96 5.21 0.00 3.12 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 S 8.18 5.13 0.00 3.85 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.37 4.75 0.00 3.87 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 0.00 167 S 9.02 4.15 0.00 3.81 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 0.00 168 R 7.68 4.50 0.00 1.84 2.02 0.00 3.33 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 169 P 0.00 4.32 0.00 1.71 2.06 0.00 3.54 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.47 0.00 170 D 7.15 4.31 0.00 2.76 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 0.00 0.00 0.00 0.00 171 E 7.97 3.89 0.00 2.02 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 2.37 2.36 0.00 172 L 8.14 3.97 0.00 1.89 2.01 0.99 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 173 I 7.94 4.01 2.06 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.93 1.03 0.00 0.00 174 E 8.17 4.18 0.00 2.14 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 2.34 2.38 0.00 175 Q 7.91 4.22 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.57 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 *177 Q 7.90 4.23 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.79 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 178 N 8.40 5.05 0.00 2.72 2.85 0.00 0.00 6.88 7.46 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 0.00 179 Y 7.98 4.52 0.00 2.78 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 * Residues marked with a * may have inaccurate shift predictions.