NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.1971 8.2549 120.8648 56.2515 30.7977 174.9460 4 Q 4.5936 8.3381 124.6899 54.2524 31.5576 172.8430 5 R 5.3226 10.2613 122.0321 54.8583 33.4899 173.9349 6 I 5.2071 9.0652 126.8660 59.6389 39.8407 174.2510 7 A 5.2104 9.0880 129.5675 50.6139 21.1338 175.6964 8 I 4.7228 8.6010 122.9064 59.5373 40.3915 176.0170 9 D 5.3407 8.3895 128.0255 53.3318 43.6814 173.8183 *11 D 4.3594 8.5137 116.3265 55.7430 41.7198 175.4140 12 E 3.9291 9.1374 122.5624 56.7159 27.6245 174.2079 13 V 3.3480 7.2783 115.1646 63.9152 33.5384 176.4438 14 L 4.2796 7.7022 118.6464 56.1243 42.3616 176.8877 15 A 4.9374 7.4592 120.3910 50.4418 21.3895 175.5138 16 D 4.8444 8.7522 122.7939 53.4884 38.5665 177.1182 17 T 3.8910 7.6253 118.1441 64.4988 67.9387 175.0496 18 L 4.0729 7.9500 122.0449 58.1447 42.2895 178.8517 19 G 3.7498 8.6415 106.8414 47.1633 0.0000 175.5007 20 A 4.0014 7.7469 122.6210 54.8173 18.3117 179.9787 21 V 3.5484 7.8663 116.6644 66.2104 31.6210 178.2618 22 V 3.5800 7.9797 118.1964 65.9479 31.3073 177.7418 23 K 3.8793 8.2090 118.9420 59.5440 32.0210 178.6073 24 A 4.0053 8.0182 120.9470 55.0962 18.2575 179.7059 25 V 3.5296 8.1371 117.1470 66.3046 31.6515 177.9856 26 N 4.3288 8.4935 116.4883 56.3033 38.1366 177.2753 27 E 3.9465 8.0644 118.8555 59.4894 29.6780 179.3933 28 R 4.1182 7.9650 116.3279 58.7775 30.4658 178.0594 29 A 4.4260 8.0947 119.4624 51.4078 20.1488 177.1135 30 D 4.3928 8.0007 115.0604 54.8878 36.7175 176.5030 31 L 4.9478 7.7972 119.9546 53.3768 45.3327 176.4850 32 N 5.0965 8.1708 114.6366 52.5941 39.4085 175.7072 33 I 3.7879 8.1807 119.1841 61.9542 38.5429 176.6571 34 K 4.4218 8.3131 128.2908 56.0724 32.3532 177.7819 *36 E 4.2491 8.7207 120.5406 57.2617 31.1937 178.3972 37 S 4.2714 7.7783 112.0197 60.5034 63.2758 174.7327 38 L 4.4029 7.8044 120.0332 54.6504 41.8459 175.9892 39 N 4.6245 8.0408 118.0704 54.6929 38.6957 175.2796 40 G 4.2227 9.2650 110.9688 45.9891 0.0000 172.8559 41 K 4.7786 8.0616 117.4350 54.3790 36.2107 175.5059 42 K 4.7867 8.2057 118.7878 54.3317 35.8653 175.9868 43 L 4.2755 8.3322 125.1414 55.3488 40.0254 178.1291 *52 G 3.9642 8.9881 105.7214 45.2766 0.0000 174.3945 53 L 4.0667 7.7854 122.1834 57.4771 42.3868 179.5240 54 V 3.7738 7.2632 113.3771 63.4923 30.6767 177.1144 *56 D 4.5502 8.1439 120.3298 53.9138 42.7408 178.0365 57 I 3.6410 8.0311 119.5395 64.3016 37.1385 177.6477 58 L 2.8796 7.7005 121.4607 57.3673 41.4209 178.8112 59 K 4.3877 7.6565 117.2910 54.6664 32.5674 180.2995 60 E 4.1768 7.7337 119.1576 56.3477 29.8284 174.8428 61 P 4.4942 0.0000 0.0000 64.4858 32.1777 176.6939 62 G 4.1060 9.6107 111.1804 45.4667 0.0000 175.3400 63 F 3.9937 8.3243 122.2068 61.4465 39.3056 177.2491 64 F 3.9583 8.2887 116.4278 59.5328 39.0570 176.7137 65 R 4.2813 7.8830 120.2447 58.5960 29.9440 176.6240 66 N 4.9544 7.5325 112.5454 52.6848 39.1895 174.9772 67 L 4.0523 7.5274 118.6193 54.7514 42.5173 176.8251 68 D 4.5081 8.5423 121.6562 53.6462 42.0456 176.2341 69 V 5.0236 7.8352 128.5706 61.9281 33.0050 174.9333 *71 P 4.0015 0.0000 0.0000 63.5661 32.3833 176.8157 72 H 4.2164 8.7886 117.5948 56.4850 26.8675 176.6443 73 A 2.9195 7.4520 122.4805 54.7949 18.0217 179.9122 74 Q 3.8256 7.9238 118.5090 59.7967 28.8561 179.4939 75 E 3.9163 7.9707 118.7837 60.9564 29.7679 180.9641 76 V 3.8561 7.8616 119.3008 65.9474 31.6128 178.4447 77 V 3.6378 7.9556 118.2236 65.7493 31.1224 177.9207 78 K 3.3767 7.8422 118.7767 59.1902 32.2123 178.5418 79 Q 4.1367 7.9435 118.2667 59.1020 28.6208 178.8428 80 L 4.1303 8.2402 120.1712 57.8003 41.4244 178.9889 81 N 4.6876 8.2721 117.4976 55.8927 38.8324 176.3654 82 E 4.0993 8.0213 119.3196 58.7802 29.5908 177.1534 83 H 4.7637 8.2640 112.5469 55.2384 31.1666 173.0769 84 Y 4.9722 8.1854 117.1476 55.8416 41.8641 174.6585 85 D 4.7326 9.1885 123.1413 54.4481 42.1838 175.2639 86 I 4.9941 8.4696 124.2265 59.9738 39.0373 174.6278 87 Y 5.0330 9.1396 124.0025 56.2466 41.6219 174.5733 88 I 4.9575 8.8781 122.4689 59.5137 40.4326 174.5710 89 A 5.5352 8.7082 127.4663 49.5816 22.4612 174.7108 90 T 4.6178 7.8197 113.2766 60.5717 70.9384 172.5405 91 A 5.2152 8.8190 127.3777 51.5026 18.8371 177.2708 92 A 4.6214 8.8008 124.7611 52.9512 19.5864 176.7643 *94 D 4.5185 7.8580 115.9090 54.6001 41.4063 179.8219 95 V 3.3948 8.3514 124.6609 61.6760 29.5696 170.6737 96 P 4.5134 0.0000 0.0000 65.0018 31.5145 177.9182 97 T 4.1467 7.9532 105.9838 63.4918 69.0693 175.2874 98 S 4.7308 8.0131 116.7122 58.1156 63.3762 175.1985 99 F 3.8943 8.0322 125.5137 62.3887 39.0340 176.7109 100 H 4.1940 8.3955 116.8305 59.3787 29.7393 176.7853 101 D 4.5212 8.2768 120.2850 57.3056 40.7057 178.7625 102 K 4.0231 8.3327 119.0496 59.6328 32.0986 178.7148 103 Y 4.1933 7.8768 119.8936 60.9373 38.7554 178.0874 104 E 3.8554 8.4423 119.5021 58.8639 29.4888 179.0527 105 W 4.1825 8.5745 128.8168 60.4845 30.6939 178.0640 106 L 3.9938 8.1030 118.9263 57.7723 40.7470 179.4184 107 L 3.9044 7.4911 117.7487 57.6633 41.5648 179.0217 108 E 3.6880 7.7398 118.1179 59.1201 29.6585 177.8077 109 Y 4.0598 7.1932 114.0769 57.9118 39.7043 175.7396 110 F 4.1969 8.0588 118.7568 55.5760 39.3715 174.6887 111 P 4.2594 0.0000 0.0000 64.9342 31.8240 177.7353 112 F 4.4679 7.4060 112.4013 57.6136 38.5046 175.4302 113 L 4.3587 6.8357 121.8109 53.2656 42.7770 175.9572 114 D 4.1926 8.1764 121.4722 53.6129 41.4841 175.5772 115 P 2.9700 0.0000 0.0000 64.8999 31.5213 178.2422 116 Q 4.0751 8.0102 116.1398 58.1847 28.8143 176.4136 117 H 4.6924 7.9294 115.5476 55.6025 28.6674 173.8611 118 F 5.4932 7.6346 119.8767 56.2674 39.9892 175.5116 119 V 4.6191 8.9171 124.3212 61.0301 34.5153 174.0156 120 F 5.4442 9.1185 126.1778 56.0491 40.7509 174.5697 121 C 4.3215 9.1434 117.8568 57.6880 32.8889 173.6427 122 G 3.8323 8.9594 108.5414 46.8334 0.0000 173.7066 123 R 4.4059 7.7432 114.7134 54.7691 31.6366 177.5269 124 K 4.4950 9.2585 121.9818 56.7502 32.3510 178.3670 125 N 4.5692 8.0577 116.8123 54.9704 37.3445 175.8108 126 I 3.8698 7.2568 117.1116 62.5516 38.3431 175.4529 127 I 3.9729 7.5245 121.8396 60.7257 37.4186 175.4188 128 L 4.2123 8.3370 127.9148 54.2498 41.0770 175.0524 129 A 4.7046 7.8422 126.8126 51.1069 22.1815 175.6496 130 D 4.5572 8.9937 119.8202 56.7383 42.1372 176.5236 131 Y 5.5590 8.2115 114.1779 56.0973 42.8310 174.3209 132 L 4.8370 8.7774 123.5012 53.3112 45.4699 175.0591 133 I 4.7641 8.6094 127.7720 60.0005 38.5852 174.2364 134 D 4.9668 8.4947 126.5195 52.7505 43.9940 175.1174 135 D 4.6445 8.8291 122.4899 53.9977 40.4658 176.1213 136 N 4.7640 8.6344 120.1189 51.7496 39.8547 173.3319 137 P 4.2234 0.0000 0.0000 65.7312 31.2411 178.7116 138 K 4.7820 8.2386 117.8905 58.7143 32.1731 178.9199 139 Q 4.2002 7.9202 117.9707 58.4581 27.5547 178.0233 140 L 3.7878 7.7552 120.3204 57.4851 41.5091 179.1847 141 E 4.3929 8.6900 117.6767 58.2181 29.4859 178.1031 142 I 4.3222 6.8716 112.0586 60.1439 39.2702 175.8070 143 F 4.3209 7.5992 123.1321 58.5693 39.6066 174.5073 144 E 4.1863 7.6556 125.4083 56.2401 30.3206 176.5358 145 G 3.7840 5.3800 108.9236 44.0389 0.0000 172.2277 146 K 4.3074 8.5747 122.8286 56.2619 33.2988 177.4804 147 S 5.0506 8.8847 124.0375 58.0243 64.1341 173.5564 148 I 4.6581 8.2871 127.2002 59.5331 40.7647 173.3274 *150 F 4.5205 8.4732 124.2195 58.8026 40.5752 175.8110 151 T 4.2540 7.9577 123.3168 64.2493 68.8539 173.4980 152 A 4.7744 9.1209 126.5186 50.0695 22.9386 177.0578 153 S 4.0123 8.9738 114.4487 61.7329 62.9596 176.7469 154 H 4.4925 8.2210 115.0687 57.1854 28.6944 175.4122 155 N 4.8807 7.7819 116.5497 52.4437 37.4225 176.8907 156 V 3.4914 7.5436 112.9032 64.1727 31.6088 176.2860 157 Y 4.5510 7.4827 115.0135 57.5058 38.3652 175.1835 158 E 4.1226 8.1218 122.3394 56.3820 30.0263 175.9719 159 H 4.9751 8.4840 120.4788 55.6139 30.7261 175.9851 160 R 3.8206 8.2822 118.6756 57.7971 29.9940 176.7343 161 F 4.9675 6.8692 115.5349 54.7271 41.5659 174.8985 162 E 3.8727 8.8744 123.6068 57.1112 29.7074 176.0771 163 R 4.6586 8.4005 125.6082 54.5199 32.7373 175.0055 164 V 4.3182 8.0420 117.9472 59.7682 35.1760 174.8416 165 S 4.2309 9.5204 122.9186 57.2235 62.8005 174.3878 166 G 3.8929 7.1737 110.5629 44.2155 0.0000 172.5463 167 W 4.2660 8.9839 118.8076 59.6717 29.0174 179.1375 168 R 4.0845 8.2269 117.7905 59.3195 29.4264 178.6167 169 D 4.3670 8.0384 118.3774 57.0920 40.8397 178.5950 170 V 3.6190 7.6344 118.4475 66.0192 31.4686 177.9578 171 K 4.1257 8.2713 119.2095 59.7740 32.0758 178.4357 172 N 4.3651 8.3556 116.7354 56.3191 38.2069 176.6629 173 Y 3.8962 8.0586 120.1950 60.9081 38.6588 178.0881 174 F 3.9753 8.2009 118.5625 60.4567 38.9076 177.4439 175 N 4.4498 8.7244 116.8754 56.2626 38.0719 177.4224 176 S 4.2765 7.7580 114.9923 60.1997 63.3645 175.4561 177 I 4.1434 6.9650 113.3722 60.7968 37.9732 175.4372 178 E 4.2800 7.6288 124.3366 56.6934 29.5539 175.5810 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 R 8.25 4.20 0.00 1.79 1.97 0.00 3.18 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 4 Q 8.34 4.59 0.00 2.60 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.72 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 5 R 10.26 5.32 0.00 2.02 1.90 0.00 3.14 0.00 0.00 2.61 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.96 0.00 6 I 9.07 5.21 1.85 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.44 0.95 0.00 0.00 7 A 9.09 5.21 1.20 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 0.00 0.00 8 I 8.60 4.72 1.84 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.89 1.05 0.00 0.00 9 D 8.39 5.34 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 *11 D 8.51 4.36 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 9.14 3.93 0.00 2.43 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 13 V 7.28 3.35 2.07 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 0.54 0.00 0.00 0.91 0.00 0.00 14 L 7.70 4.28 0.00 1.63 1.79 0.46 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.46 4.94 0.45 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 16 D 8.75 4.84 0.00 2.78 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 17 T 7.63 3.89 4.33 0.00 0.00 0.00 0.00 0.00 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 18 L 7.95 4.07 0.00 1.84 1.68 0.95 1.06 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 19 G 8.64 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 0.00 0.00 0.00 20 A 7.75 4.00 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 21 V 7.87 3.55 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 1.03 0.00 0.00 0.99 0.00 0.00 22 V 7.98 3.58 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.99 0.00 0.00 23 K 8.21 3.88 0.00 1.97 1.97 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.47 7.81 24 A 8.02 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.14 3.53 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 1.10 0.00 0.00 0.99 0.00 0.00 26 N 8.49 4.33 0.00 2.97 2.92 0.00 0.00 7.08 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 27 E 8.06 3.95 0.00 2.18 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 0.00 2.35 2.36 0.00 28 R 7.97 4.12 0.00 1.85 1.98 0.00 3.15 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 29 A 8.09 4.43 1.28 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 0.00 0.00 0.00 30 D 8.00 4.39 0.00 2.86 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.80 4.95 0.00 1.80 1.61 0.92 0.91 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 32 N 8.17 5.10 0.00 2.66 2.76 0.00 0.00 6.88 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 33 I 8.18 3.79 1.97 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 1.30 0.47 0.92 0.00 0.00 34 K 8.31 4.42 0.00 1.91 1.62 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 0.98 7.81 *36 E 8.72 4.25 0.00 2.12 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 2.27 1.88 0.00 37 S 7.78 4.27 0.00 3.98 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 38 L 7.80 4.40 0.00 1.75 1.75 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.04 4.62 0.00 2.78 2.72 0.00 0.00 6.91 7.08 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 40 G 9.26 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 0.00 0.00 0.00 0.00 41 K 8.06 4.78 0.00 1.93 1.71 0.00 1.69 0.00 0.00 1.93 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.58 7.81 42 K 8.21 4.79 0.00 1.97 1.69 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 0.95 7.81 43 L 8.33 4.28 0.00 1.59 0.83 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 *52 G 8.99 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 0.00 0.00 0.00 53 L 7.79 4.07 0.00 1.72 1.68 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.26 3.77 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 0.84 0.00 0.00 0.90 0.00 0.00 *56 D 8.14 4.55 0.00 2.82 2.71 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 57 I 8.03 3.64 1.85 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 1.27 0.52 0.73 0.00 0.00 58 L 7.70 2.88 0.00 1.46 1.60 0.85 0.24 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 59 K 7.66 4.39 0.00 1.77 1.70 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.31 1.02 7.81 60 E 7.73 4.18 0.00 2.18 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 2.34 2.54 0.00 61 P 0.00 4.49 0.00 2.10 2.08 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 62 G 9.61 4.11 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 0.00 0.00 0.00 63 F 8.32 3.99 0.00 3.13 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 64 F 8.29 3.96 0.00 3.17 3.04 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 65 R 7.88 4.28 0.00 1.96 2.28 0.00 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0.00 83 H 8.26 4.76 0.00 2.95 3.01 0.00 5.83 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 84 Y 8.19 4.97 0.00 3.00 2.83 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 85 D 9.19 4.73 0.00 2.84 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 86 I 8.47 4.99 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.95 0.96 0.00 0.00 87 Y 9.14 5.03 0.00 2.94 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 88 I 8.88 4.96 1.66 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 1.22 0.72 0.62 0.00 0.00 89 A 8.71 5.54 1.13 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 0.00 0.00 0.00 90 T 7.82 4.62 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 0.56 0.00 0.00 91 A 8.82 5.22 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 92 A 8.80 4.62 1.52 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 *94 D 7.86 4.52 0.00 2.74 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.35 3.39 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 1.12 0.00 0.00 1.05 0.00 0.00 96 P 0.00 4.51 0.00 2.18 2.06 0.00 3.94 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 97 T 7.95 4.15 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 1.23 0.00 0.00 98 S 8.01 4.73 0.00 4.15 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 0.00 99 F 8.03 3.89 0.00 3.18 3.06 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 0.00 100 H 8.40 4.19 0.00 3.42 3.41 0.00 5.92 0.00 0.00 0.00 0.00 6.93 0.00 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0.00 1.47 1.52 0.00 109 Y 7.19 4.06 0.00 2.15 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 0.00 110 F 8.06 4.20 0.00 2.91 2.48 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 0.00 111 P 0.00 4.26 0.00 2.12 2.17 0.00 3.62 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.85 0.00 112 F 7.41 4.47 0.00 3.14 3.20 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 0.00 113 L 6.84 4.36 0.00 1.69 1.59 0.89 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.18 4.19 0.00 2.40 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 0.00 0.00 0.00 115 P 0.00 2.97 0.00 2.12 1.97 0.00 3.47 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 116 Q 8.01 4.08 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.24 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 117 H 7.93 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6.08 7.81 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 0.00 126 I 7.26 3.87 1.90 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 1.32 0.71 0.99 0.00 0.00 127 I 7.52 3.97 2.21 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 0.72 0.95 0.00 0.00 128 L 8.34 4.21 0.00 1.53 1.54 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.84 4.70 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 0.00 130 D 8.99 4.56 0.00 3.00 2.46 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 0.00 0.00 0.00 0.00 131 Y 8.21 5.56 0.00 3.06 3.04 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 0.00 132 L 8.78 4.84 0.00 0.27 0.30 0.65 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.61 4.76 1.87 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.55 2.39 0.00 142 I 6.87 4.32 1.91 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 1.71 0.76 0.95 0.00 0.00 143 F 7.60 4.32 0.00 3.02 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 0.00 144 E 7.66 4.19 0.00 1.68 1.76 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 2.13 2.14 0.00 145 G 5.38 3.78 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 0.00 0.00 0.00 146 K 8.57 4.31 0.00 1.83 1.71 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.70 1.68 7.81 147 S 8.88 5.05 0.00 3.88 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 0.00 148 I 8.29 4.66 1.88 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.68 0.64 0.00 0.00 *150 F 8.47 4.52 0.00 3.01 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 0.00 151 T 7.96 4.25 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 1.06 0.00 0.00 152 A 9.12 4.77 1.17 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 0.00 0.00 153 S 8.97 4.01 0.00 4.20 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 0.00 154 H 8.22 4.49 0.00 3.27 3.60 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.78 4.88 0.00 2.96 2.95 0.00 0.00 6.81 7.83 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 0.00 156 V 7.54 3.49 1.56 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 0.63 0.00 0.00 0.22 0.00 0.00 157 Y 7.48 4.55 0.00 2.96 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 E 8.12 4.12 0.00 1.97 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 2.53 2.47 0.00 159 H 8.48 4.98 0.00 3.18 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 8.28 3.82 0.00 0.72 1.06 0.00 2.87 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 161 F 6.87 4.97 0.00 3.12 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 0.00 162 E 8.87 3.87 0.00 1.90 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 1.81 2.18 0.00 163 R 8.40 4.66 0.00 1.80 1.71 0.00 3.16 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.50 0.00 164 V 8.04 4.32 1.84 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 0.53 0.00 0.00 0.71 0.00 0.00 165 S 9.52 4.23 0.00 3.52 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.17 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 0.00 167 W 8.98 4.27 0.00 3.85 3.50 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 0.00 0.00 0.00 0.00 168 R 8.23 4.08 0.00 1.88 2.01 0.00 3.10 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 169 D 8.04 4.37 0.00 2.94 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 0.00 170 V 7.63 3.62 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.45 0.00 0.00 171 K 8.27 4.13 0.00 2.06 2.08 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.53 1.60 7.81 172 N 8.36 4.37 0.00 2.97 2.87 0.00 0.00 6.68 6.97 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 0.00 173 Y 8.06 3.90 0.00 2.77 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 0.00 174 F 8.20 3.98 0.00 3.18 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 0.00 175 N 8.72 4.45 0.00 2.95 2.89 0.00 0.00 6.75 7.31 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 0.00 176 S 7.76 4.28 0.00 3.96 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 0.00 177 I 6.96 4.14 1.83 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 1.46 0.69 0.45 0.00 0.00 178 E 7.63 4.28 0.00 2.05 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 2.32 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.