NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.9790 8.2833 118.0910 53.2304 40.7428 172.6060 3 I 4.9018 9.3764 125.7129 59.1415 40.1591 173.0139 4 N 5.5240 10.2386 125.3995 51.4935 42.8758 173.3184 5 I 5.0353 8.7366 123.2310 59.7541 40.3401 174.6034 6 V 4.8133 8.9025 129.1393 61.6181 32.8838 174.8581 7 T 5.1867 8.8253 117.6302 59.9879 72.6058 172.8548 8 I 4.5330 8.1097 123.8459 61.3189 38.0859 175.0706 9 G 4.0301 8.5221 115.6744 43.8119 0.0000 173.0001 10 K 4.4329 8.3551 122.3247 54.4716 33.1132 176.4132 11 L 4.0527 9.2865 127.0319 55.1941 41.2337 176.0632 12 K 4.3554 8.2479 125.0132 56.8427 34.6570 176.5998 13 E 3.8931 8.0030 119.5665 56.4579 29.7660 176.9421 14 K 3.8470 8.8507 126.3402 59.6769 32.2213 177.1912 15 Y 4.4274 7.9833 116.8993 59.5524 38.6894 177.6025 16 L 3.7650 6.5759 120.1910 56.9505 41.5257 179.6772 17 K 3.8659 7.6931 118.2334 59.6305 32.0815 179.1528 18 Q 4.1135 8.1983 117.9233 59.1098 28.6031 179.2520 19 G 3.5210 7.8648 106.6133 47.9276 0.0000 175.6090 20 I 3.8215 7.7940 123.0420 64.0079 37.1439 178.4341 21 E 4.0383 8.5214 120.9261 58.9286 29.1405 179.2854 22 E 3.8722 8.0066 118.6264 59.4666 29.4663 179.1081 23 Y 4.0017 7.9477 117.0356 61.1734 37.9831 178.2156 24 T 4.0956 8.1865 110.8393 64.6390 68.4136 176.4248 25 K 4.1099 7.5447 122.7379 58.9427 32.6929 178.8059 26 R 4.0649 7.6053 118.4596 59.1749 29.8856 179.0633 27 L 4.2820 8.5474 119.1942 57.5143 41.6574 179.4133 28 S 4.4957 8.2856 116.6678 60.9653 62.6769 176.3701 29 A 4.1845 7.5352 119.5006 53.9329 18.0894 177.3351 30 Y 4.3780 7.2555 112.4146 58.0665 40.5073 175.6124 31 A 4.4002 8.0509 120.5901 50.6617 22.5597 174.7183 32 K 4.3997 8.4794 121.8614 56.0976 33.2928 175.8050 33 I 5.1109 8.2035 127.5550 60.0866 40.6125 175.4726 34 D 4.4189 8.6047 123.3909 54.0298 44.9593 174.4932 35 I 4.7070 8.4325 125.5830 60.0953 38.6994 175.4920 36 I 4.3480 8.9457 129.0887 59.7490 38.8488 174.5610 37 E 4.8192 8.7521 127.4138 55.2160 30.8539 175.7608 38 L 4.7095 8.6355 125.0083 52.3872 44.2944 174.1836 39 P 4.2329 0.0000 0.0000 62.1199 31.6991 175.4875 40 D 4.2590 8.4998 123.0445 54.3114 41.8156 175.6554 *53 K 4.3501 8.5688 125.9219 56.5752 32.5492 177.6325 54 I 3.8435 7.5813 118.5614 63.3426 37.0558 177.4619 55 I 4.2586 7.5981 119.2375 62.8096 38.3257 177.4667 56 K 4.1549 7.9285 119.3656 59.9766 32.4363 178.4663 57 D 4.4497 7.9254 119.1932 55.9348 40.6618 178.5080 58 K 4.0858 7.3493 120.5526 59.0998 32.4340 178.3192 59 E 4.2106 8.8356 117.7157 58.4571 29.6964 179.0794 60 G 3.5815 8.1930 107.5081 47.9459 0.0000 175.5364 61 D 4.3750 7.8229 119.7898 56.9636 40.5908 179.0167 62 R 4.0313 7.4901 118.0563 58.6742 30.2667 178.9142 63 I 3.9341 7.5712 119.9670 64.3678 37.3160 178.2522 64 L 4.2945 8.1734 120.0776 57.6068 41.1817 179.3524 65 S 4.3298 7.8201 112.1868 60.0408 63.1424 175.4610 66 K 4.3598 8.2733 121.1926 55.8387 32.7781 176.1905 67 I 4.2389 6.9260 120.7370 59.9017 38.2202 175.6736 68 S 4.6666 8.2954 119.5159 56.4450 64.4942 173.5273 69 P 4.3408 0.0000 0.0000 65.4334 31.3384 177.7933 70 D 4.4487 7.6716 116.5207 56.6288 41.0638 177.0192 71 A 4.3753 7.5577 120.3654 52.2972 19.2931 176.8355 72 H 4.6865 9.0942 122.2111 54.9749 31.2798 174.0833 73 V 4.4129 9.3113 127.4751 61.9697 33.1674 174.6263 74 I 4.7965 8.8931 128.8155 59.5695 39.5598 174.2926 75 A 4.7590 8.6584 130.0452 50.7206 20.5947 175.9723 76 L 5.0574 8.5469 122.9148 54.2302 42.3860 176.5117 77 A 4.8162 9.7507 126.6711 50.1136 22.3755 177.1806 78 I 3.6765 8.6372 114.6650 63.8344 37.7991 177.0050 79 E 4.1640 8.1426 118.0972 57.0737 29.6913 176.5135 80 G 3.8919 7.8978 107.2004 45.9188 0.0000 173.6203 81 K 4.5086 8.3993 122.3845 56.1597 34.6978 176.7447 *83 K 4.5925 8.5498 123.0824 57.4353 33.5572 176.2724 84 T 4.2353 8.6323 113.0062 60.8961 70.1148 176.0978 85 S 4.0822 8.4062 117.6806 61.4504 62.5793 176.9591 86 E 3.8988 7.9880 121.0833 59.4984 29.2703 178.9342 87 E 3.9499 7.9136 118.1621 59.2869 29.4675 179.2483 88 L 3.8888 7.9497 120.2524 57.9974 42.1508 178.8736 89 A 3.8460 7.9374 120.8395 55.0794 18.2828 179.1533 90 D 4.2355 8.3830 117.3605 57.5629 41.4233 178.5509 91 T 3.9562 8.1127 110.5720 64.5875 68.6455 176.8740 92 I 3.7199 7.6170 122.1628 63.8447 37.2921 177.6196 93 D 4.3141 7.9107 119.0855 57.3321 41.1289 178.2117 94 K 3.9397 7.8979 120.2033 58.8415 31.9209 178.9463 95 L 4.0940 7.6640 116.2379 56.2176 41.7076 178.0297 96 A 4.5234 8.0903 120.6427 52.0245 19.5854 178.4861 97 T 3.5948 7.5234 115.7667 66.4963 68.3707 174.9972 98 Y 4.5568 7.5398 113.7231 57.7890 38.3913 176.1029 99 G 4.3027 8.0407 116.0102 45.6125 0.0000 175.0753 100 K 4.3009 7.5387 121.3109 54.7181 31.5291 176.7741 101 S 4.5127 7.6245 113.7638 57.4682 63.9694 172.5325 102 K 4.7887 8.5185 127.2263 54.6814 35.1183 174.5137 103 V 4.7757 8.9056 127.5204 61.3228 34.6505 174.1128 104 T 5.1068 8.8053 124.2581 61.8441 71.5078 172.8574 105 F 5.1677 9.5067 125.4891 55.8346 41.7688 174.9414 106 V 4.8734 8.8490 122.5797 61.1532 34.6771 174.0905 107 I 4.6069 8.8424 128.9735 59.5076 39.7319 176.0622 108 G 4.2069 8.7098 115.3536 45.7271 0.0000 171.5008 109 G 4.1434 8.1415 108.0519 44.2843 0.0000 174.2850 110 S 4.2338 8.6339 114.2516 61.3495 63.0560 176.0451 111 L 4.0185 7.8852 119.7899 56.9027 41.6482 177.6991 112 G 4.0765 7.5812 103.6876 44.3823 0.0000 173.2252 113 L 4.1524 8.1358 120.2204 53.8949 42.5094 177.7391 114 S 4.3623 8.4820 117.3922 58.1808 63.5779 175.0251 115 D 4.4185 8.5401 120.9464 57.7216 40.4751 178.3657 116 T 4.0813 7.6999 115.3915 65.7990 68.7669 175.2282 117 V 3.7365 7.4797 121.5633 63.3128 31.7424 178.0023 *119 K 4.2167 8.1573 119.0166 56.0402 33.8683 177.5926 120 R 3.9054 7.6985 117.1149 58.6941 30.1862 176.7997 121 A 3.9854 8.0200 121.3696 52.7454 18.4625 177.1374 122 D 4.6376 8.3289 123.8902 56.9503 41.6598 176.7366 123 E 4.7703 7.7814 113.6069 55.3121 32.6773 174.4981 124 K 5.1453 8.5276 121.0972 54.7737 34.9949 174.8181 125 L 5.3278 9.6706 126.8711 53.2863 45.3673 174.8002 126 S 5.3114 9.2133 120.7960 56.8807 63.9807 173.8359 127 F 4.4099 9.2557 124.8775 58.4043 39.6551 175.3961 128 S 4.6004 7.1045 112.2703 57.8431 65.8884 175.7601 129 K 4.1469 8.3883 122.8311 56.4611 31.5849 178.1702 *131 T 3.8971 7.6371 114.1234 63.4297 69.6773 173.9648 132 F 5.2857 8.2588 124.7438 54.6821 41.8358 173.8912 133 P 4.4249 0.0000 0.0000 62.6992 31.8154 177.3117 134 H 4.2530 8.7178 117.8935 58.5636 28.6987 176.7433 135 Q 4.0663 7.6768 117.2571 58.6773 28.9623 176.2672 136 L 4.1784 7.4293 120.5094 54.8561 42.4766 178.0913 *138 R 4.1196 7.9701 119.5718 56.1555 32.2529 176.7677 139 L 3.9388 7.7173 118.5865 58.0294 42.0350 178.7552 140 I 3.5747 7.4312 119.3012 64.2335 36.9802 178.0093 141 L 3.8863 7.6178 120.5429 58.3414 41.7502 179.1285 142 V 3.4726 7.6507 117.9908 65.7311 31.3998 177.6460 143 E 3.0311 7.9559 119.3886 58.9602 29.3049 178.8377 144 Q 3.9781 8.3694 118.5667 58.9623 28.8063 178.6861 145 I 3.7263 8.0054 121.1786 64.4772 37.0985 177.9048 146 Y 4.2246 7.8711 120.6598 60.6316 38.6622 177.6482 147 R 3.6164 8.1349 119.4972 59.0673 30.1034 178.4571 148 A 3.8355 8.1677 120.8795 55.2041 18.2012 179.6165 149 F 3.8573 7.6127 114.4338 60.7232 39.1050 177.8873 150 R 3.9077 7.7436 117.6732 59.1439 29.5249 179.1777 151 I 3.7475 7.4521 118.9567 64.0277 37.1659 177.5239 152 N 4.5529 7.8899 115.3415 54.8905 38.6408 175.5371 153 R 4.1596 7.7884 119.4722 57.3929 30.8764 176.6880 154 G 3.7664 8.1839 114.2890 46.2493 0.0000 173.1384 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 N 8.28 4.98 0.00 2.74 2.87 0.00 0.00 6.83 6.39 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 3 I 9.38 4.90 2.04 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 1.24 0.00 0.00 4 N 10.24 5.52 0.00 2.62 2.71 0.00 0.00 6.46 7.40 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 5 I 8.74 5.04 1.92 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 1.23 0.82 0.94 0.00 0.00 6 V 8.90 4.81 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 1.08 0.00 0.00 0.96 0.00 0.00 7 T 8.83 5.19 4.22 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 1.20 0.00 0.00 8 I 8.11 4.53 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.85 0.91 0.00 0.00 9 G 8.52 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 10 K 8.36 4.43 0.00 1.75 1.75 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.35 7.81 11 L 9.29 4.05 0.00 1.65 1.58 0.85 0.59 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 12 K 8.25 4.36 0.00 1.86 1.87 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.36 7.81 13 E 8.00 3.89 0.00 1.54 1.25 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 2.27 2.24 0.00 14 K 8.85 3.85 0.00 1.79 2.00 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.57 7.81 15 Y 7.98 4.43 0.00 3.22 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 16 L 6.58 3.76 0.00 1.29 1.52 0.63 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.69 3.87 0.00 1.75 1.81 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.60 7.81 18 Q 8.20 4.11 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 19 G 7.86 3.52 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 20 I 7.79 3.82 1.86 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 1.53 0.71 0.91 0.00 0.00 21 E 8.52 4.04 0.00 2.11 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 2.31 2.33 0.00 22 E 8.01 3.87 0.00 2.03 1.64 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 2.20 2.33 0.00 23 Y 7.95 4.00 0.00 2.99 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 24 T 8.19 4.10 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 1.26 0.00 0.00 25 K 7.54 4.11 0.00 1.78 2.05 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.31 7.81 26 R 7.61 4.06 0.00 1.66 1.35 0.00 2.56 0.00 0.00 2.98 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 27 L 8.55 4.28 0.00 1.95 1.75 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.29 4.50 0.00 4.06 3.92 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 0.00 0.00 0.00 29 A 7.54 4.18 1.16 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 0.00 0.00 30 Y 7.26 4.38 0.00 2.64 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 0.00 0.00 0.00 31 A 8.05 4.40 0.99 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 32 K 8.48 4.40 0.00 1.87 1.73 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.48 7.81 33 I 8.20 5.11 1.90 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 1.37 1.08 0.97 0.00 0.00 34 D 8.60 4.42 0.00 2.59 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 35 I 8.43 4.71 1.88 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 1.36 0.54 0.91 0.00 0.00 36 I 8.95 4.35 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.99 0.92 0.00 0.00 37 E 8.75 4.82 0.00 1.84 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 2.26 2.33 0.00 38 L 8.64 4.71 0.00 1.77 1.55 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.23 0.00 2.03 2.01 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 40 D 8.50 4.26 0.00 2.62 2.56 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 *53 K 8.57 4.35 0.00 1.82 1.83 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.42 7.81 54 I 7.58 3.84 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 1.52 0.56 0.91 0.00 0.00 55 I 7.60 4.26 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 1.69 0.78 0.91 0.00 0.00 56 K 7.93 4.15 0.00 2.16 2.06 0.00 1.55 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.71 1.53 7.81 57 D 7.93 4.45 0.00 2.73 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 58 K 7.35 4.09 0.00 2.06 1.91 0.00 1.51 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.48 7.81 59 E 8.84 4.21 0.00 2.17 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 0.00 2.51 2.31 0.00 60 G 8.19 3.58 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 0.00 61 D 7.82 4.37 0.00 2.98 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 62 R 7.49 4.03 0.00 1.85 1.99 0.00 3.15 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 63 I 7.57 3.93 2.10 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 0.86 0.92 0.00 0.00 64 L 8.17 4.29 0.00 1.67 1.73 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.82 4.33 0.00 4.03 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 66 K 8.27 4.36 0.00 1.80 1.90 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.65 1.61 7.81 67 I 6.93 4.24 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.90 0.00 0.00 68 S 8.30 4.67 0.00 4.00 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 69 P 0.00 4.34 0.00 2.06 2.15 0.00 3.67 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 2.02 2.10 0.00 70 D 7.67 4.45 0.00 2.70 2.73 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 71 A 7.56 4.38 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 72 H 9.09 4.69 0.00 3.18 3.14 0.00 5.58 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 9.31 4.41 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 0.86 0.00 0.00 0.89 0.00 0.00 74 I 8.89 4.80 1.47 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.35 1.10 0.00 0.00 75 A 8.66 4.76 1.26 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 0.00 0.00 0.00 76 L 8.55 5.06 0.00 1.75 1.63 1.02 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 77 A 9.75 4.82 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 78 I 8.64 3.68 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 1.42 0.64 0.90 0.00 0.00 79 E 8.14 4.16 0.00 2.00 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 2.31 2.25 0.00 80 G 7.90 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 81 K 8.40 4.51 0.00 1.72 1.69 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.79 1.58 7.81 *83 K 8.55 4.59 0.00 1.55 1.71 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.42 7.81 84 T 8.63 4.24 4.35 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 1.17 0.00 0.00 85 S 8.41 4.08 0.00 3.82 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 86 E 7.99 3.90 0.00 2.01 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 2.36 2.41 0.00 87 E 7.91 3.95 0.00 2.10 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 2.30 2.28 0.00 88 L 7.95 3.89 0.00 1.74 1.72 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.94 3.85 1.38 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 90 D 8.38 4.24 0.00 2.77 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 91 T 8.11 3.96 4.21 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 0.00 0.00 0.00 1.22 0.00 0.00 92 I 7.62 3.72 1.75 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 1.55 0.69 0.40 0.00 0.00 93 D 7.91 4.31 0.00 2.77 2.74 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 0.00 0.00 0.00 94 K 7.90 3.94 0.00 1.79 1.80 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.55 7.81 95 L 7.66 4.09 0.00 1.78 1.67 0.79 0.35 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 96 A 8.09 4.52 1.38 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 97 T 7.52 3.59 3.74 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 0.00 0.00 0.26 0.00 0.00 98 Y 7.54 4.56 0.00 3.03 3.02 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 99 G 8.04 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 0.00 0.00 0.00 0.00 100 K 7.54 4.30 0.00 1.75 1.81 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.51 7.81 101 S 7.62 4.51 0.00 3.98 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 0.00 102 K 8.52 4.79 0.00 1.85 1.62 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.41 7.81 103 V 8.91 4.78 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 0.67 0.00 0.00 0.92 0.00 0.00 104 T 8.81 5.11 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 1.23 0.00 0.00 105 F 9.51 5.17 0.00 2.95 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 0.00 106 V 8.85 4.87 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 1.00 0.00 0.00 0.95 0.00 0.00 107 I 8.84 4.61 1.86 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 1.12 0.97 0.88 0.00 0.00 108 G 8.71 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.14 4.14 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 0.00 110 S 8.63 4.23 0.00 3.89 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 0.00 111 L 7.89 4.02 0.00 1.61 1.72 0.97 1.03 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 0.00 112 G 7.58 4.08 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 0.00 0.00 0.00 113 L 8.14 4.15 0.00 1.66 1.62 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.48 4.36 0.00 4.24 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 0.00 115 D 8.54 4.42 0.00 2.69 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 0.00 116 T 7.70 4.08 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 1.21 0.00 0.00 117 V 7.48 3.74 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 1.05 0.00 0.00 0.93 0.00 0.00 *119 K 8.16 4.22 0.00 1.97 1.89 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.52 7.81 120 R 7.70 3.91 0.00 1.76 2.08 0.00 3.31 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 121 A 8.02 3.99 1.30 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 0.00 0.00 122 D 8.33 4.64 0.00 2.26 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.78 4.77 0.00 2.00 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 2.23 2.32 0.00 124 K 8.53 5.15 0.00 1.79 1.77 0.00 1.50 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.48 7.81 125 L 9.67 5.33 0.00 1.78 1.70 0.96 1.00 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 0.00 126 S 9.21 5.31 0.00 4.09 3.75 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 0.00 127 F 9.26 4.41 0.00 3.10 3.26 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 0.00 128 S 7.10 4.60 0.00 3.93 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 0.00 129 K 8.39 4.15 0.00 1.75 1.75 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.44 7.81 *131 T 7.64 3.90 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 1.19 0.00 0.00 132 F 8.26 5.29 0.00 3.03 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 0.00 133 P 0.00 4.42 0.00 2.17 1.95 0.00 3.73 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 134 H 8.72 4.25 0.00 3.21 3.47 0.00 5.73 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 7.68 4.07 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.74 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 136 L 7.43 4.18 0.00 1.75 1.77 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 *138 R 7.97 4.12 0.00 1.86 1.88 0.00 3.20 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 139 L 7.72 3.94 0.00 1.76 1.75 1.08 1.10 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 0.00 140 I 7.43 3.57 1.72 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.48 1.06 0.00 0.00 141 L 7.62 3.89 0.00 1.33 1.60 0.47 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.65 3.47 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 0.97 0.00 0.00 0.91 0.00 0.00 143 E 7.96 3.03 0.00 1.48 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 1.68 2.27 0.00 144 Q 8.37 3.98 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 145 I 8.01 3.73 1.93 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.00 1.22 0.00 0.00 146 Y 7.87 4.22 0.00 2.88 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 0.00 147 R 8.13 3.62 0.00 1.97 2.01 0.00 3.09 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 148 A 8.17 3.84 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 0.00 149 F 7.61 3.86 0.00 2.84 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 0.00 150 R 7.74 3.91 0.00 1.63 1.75 0.00 3.21 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.77 0.00 151 I 7.45 3.75 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.54 0.85 0.00 0.00 152 N 7.89 4.55 0.00 2.79 2.83 0.00 0.00 6.98 7.28 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 0.00 153 R 7.79 4.16 0.00 1.96 1.86 0.00 3.44 0.00 0.00 3.34 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 154 G 8.18 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 * Residues marked with a * may have inaccurate shift predictions.