NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4173 8.3044 120.3309 55.3581 33.5185 174.2226 2 K 4.1339 8.8898 125.0830 56.9681 34.5015 174.1279 3 K 5.0881 9.7113 122.7188 54.7475 34.9269 174.9950 4 I 5.0216 8.7815 126.3288 59.3575 40.2346 174.5586 5 A 4.9401 8.8720 129.2895 50.0454 21.4772 175.1298 6 I 4.8341 8.8698 122.4809 59.0693 41.1831 173.9096 7 F 5.2367 9.6677 132.5102 56.5740 41.2859 173.8752 8 G 4.5927 8.6044 113.8055 45.8928 0.0000 171.5223 9 S 4.2724 7.7674 115.9518 56.7524 65.1870 175.3019 10 A 3.9885 8.3598 125.6292 53.0431 18.9574 177.9599 11 F 3.5865 7.1498 113.3428 59.0397 36.7618 175.4684 12 N 5.1570 7.5133 117.4497 51.5362 39.2512 170.8876 13 P 5.0468 0.0000 0.0000 59.4331 33.9194 174.2371 14 P 4.0882 0.0000 0.0000 63.3342 31.3045 175.9704 15 S 4.8522 8.2010 114.4434 55.9209 67.7693 174.7950 16 L 4.4375 8.9362 121.0683 57.0281 41.2649 180.1093 17 G 3.6441 8.1537 106.5627 46.0374 0.0000 175.4455 18 H 4.6165 8.2010 118.9418 58.4868 28.7651 177.5302 19 K 4.0811 8.6702 121.6985 59.7262 31.7986 178.9041 20 S 4.2862 8.0979 113.4138 61.0120 63.0183 176.5200 21 V 3.6801 7.3349 120.8842 65.8870 31.5817 178.0849 22 I 3.7045 7.9635 119.9041 64.1600 36.7535 177.9743 23 E 4.1923 8.3152 117.3088 58.1945 29.5873 178.2279 24 S 4.5055 7.7345 114.0941 58.9827 63.7471 174.2111 25 L 4.9707 7.6019 122.9795 54.7168 41.9652 178.7299 26 S 4.2796 8.3251 115.9567 61.1823 63.0432 174.5753 27 H 4.4556 8.4163 114.6592 56.3981 28.9218 175.2782 28 F 4.2876 7.9141 119.6187 56.9120 39.7410 175.5916 29 D 4.6058 8.7168 124.1192 56.9956 41.4566 176.9111 30 L 4.7947 7.8136 119.4829 53.4759 46.0113 174.7565 31 V 4.7098 9.2868 126.0746 61.1817 34.3565 173.8396 32 L 5.0726 9.1780 128.7697 53.1833 43.9724 175.5472 33 L 5.0529 8.9699 125.0016 53.5685 43.2837 175.4818 34 E 4.9944 9.1175 127.1780 53.7928 30.6965 172.9857 35 P 5.2818 0.0000 0.0000 62.2332 32.3434 176.6806 36 S 4.6088 8.9429 119.4891 58.4180 64.5078 174.1287 37 I 3.8175 8.8026 127.3906 61.1382 35.5445 175.2578 *45 M 4.2463 8.1125 121.7463 53.9910 32.7902 173.4688 46 L 4.5641 8.5475 124.5080 52.3793 43.2224 177.2266 47 D 4.6655 8.4143 123.2557 52.9819 41.4753 176.8856 48 Y 4.1541 8.5214 120.1855 60.6390 38.8148 176.3332 49 P 4.0394 0.0000 0.0000 65.4840 31.4031 178.4642 50 I 3.6433 7.9560 117.2905 64.1048 37.8543 178.0845 51 R 3.9332 7.9984 118.9316 59.4260 29.8128 178.8291 52 C 3.8875 7.9579 116.6165 62.6081 28.1173 176.0461 53 K 3.8689 7.8719 121.1573 59.4415 31.6806 178.7610 54 L 3.9756 8.2892 119.7167 57.8001 41.4532 179.7111 55 V 3.4753 7.9045 118.3018 65.9407 31.4056 177.7366 56 D 4.3091 8.2310 118.5170 57.3425 40.5833 178.6915 57 A 3.9888 8.0946 121.1487 55.0357 18.3713 179.2911 58 F 4.2538 8.5960 119.5632 61.7367 39.3934 177.4339 59 I 3.5070 8.1507 119.6620 64.0569 36.6418 178.2659 60 K 3.8590 7.7766 119.3672 59.7187 32.1197 178.2250 61 D 4.4752 8.0739 117.9577 57.7486 39.7683 178.5084 62 M 4.1105 8.1874 119.3003 55.9135 31.5745 177.5529 63 G 4.0791 7.4946 105.2802 46.2547 0.0000 172.8886 64 L 4.5012 7.0820 120.5132 52.5599 42.5671 178.2621 65 S 4.1408 8.7595 119.3087 60.8944 63.2659 174.7060 66 N 4.6388 8.1010 116.4235 52.7459 37.7427 173.8007 67 V 4.7828 7.3096 119.7625 61.9388 32.8714 175.0291 68 Q 4.6632 8.9657 125.4289 54.0954 33.6125 174.0070 69 R 4.6938 8.5937 122.3105 56.0751 30.8980 175.6222 70 S 5.0443 8.7773 121.0672 56.1426 65.9737 173.2916 71 D 5.1635 8.3031 119.2678 52.5345 40.1825 177.7969 72 L 4.0056 8.6026 122.4523 59.2674 41.5126 178.7114 73 E 4.0221 9.1486 118.6260 59.1623 29.0437 179.3795 74 Q 3.8876 7.8700 117.4883 59.0924 28.9478 178.5485 75 A 4.1761 7.8649 119.3111 54.6025 18.7088 179.0438 76 L 4.2124 7.7270 118.8193 56.8724 42.0187 177.8579 *77 Y 3.9459 7.3307 118.2607 56.2465 37.3439 179.5450 *82 S 4.1158 8.2967 118.7449 56.8998 63.3793 173.1384 83 V 3.8668 8.0694 124.3748 62.2524 31.5388 176.4962 84 T 4.3631 8.1747 118.2720 61.0763 71.3391 175.4885 85 T 3.7146 8.4619 119.0277 67.0587 68.4158 175.8833 86 Y 4.1116 8.3179 120.5016 60.9523 38.7988 178.1145 87 A 3.9773 8.3234 121.4832 54.9373 18.4709 179.4007 88 L 3.8140 7.9222 118.8933 58.2960 42.1583 179.2876 89 L 3.4067 7.6746 119.1866 57.2872 41.3022 178.9808 90 E 3.9087 7.7074 119.5808 59.0641 29.5071 178.9269 91 K 4.0493 7.8385 119.6282 59.5866 32.3471 178.7476 92 I 3.7812 7.7150 118.9368 64.0438 37.6941 177.6337 93 Q 4.1249 8.2389 120.7245 59.2081 28.6758 178.0706 94 E 4.0351 8.0470 118.9463 59.3618 29.5327 179.0536 95 I 3.8571 7.6556 119.2854 62.8981 38.6968 176.0795 96 Y 4.7984 7.9046 117.2310 55.3084 37.7559 174.3306 97 P 4.6536 0.0000 0.0000 64.7509 32.0896 177.9975 98 T 4.1763 7.9260 105.9884 62.6966 69.4545 174.6213 99 A 4.5713 7.8050 124.2563 51.7992 19.9896 176.3779 100 D 4.9453 9.2522 120.1307 53.0987 43.1576 175.7337 101 I 5.0696 8.6373 123.8996 59.9937 40.0339 174.5417 102 T 5.1707 9.0093 123.1855 61.7560 71.7217 172.6708 103 F 5.1936 9.4020 129.6126 57.0299 41.0082 174.4156 104 V 4.2992 8.2527 127.4843 61.7680 32.3927 174.8365 105 I 4.5785 8.5676 127.7443 58.8121 42.0718 174.9153 106 G 4.1688 8.6315 114.3417 44.4104 0.0000 173.1233 107 P 4.2393 0.0000 0.0000 65.3461 31.0417 178.7122 108 D 4.6479 8.2781 116.5704 57.9112 41.0135 178.4220 109 N 4.8151 8.3861 116.1359 56.0342 38.1927 177.0692 110 F 3.9820 8.4067 122.4263 61.4634 39.2200 177.2195 111 F 4.5461 8.4197 116.0236 59.0490 38.9653 176.2108 112 K 4.7316 7.7591 117.5700 56.4141 32.9560 178.1099 113 F 3.6983 8.0308 124.3920 61.6544 39.3297 177.0191 114 A 4.0906 8.0934 122.1552 54.3675 18.2342 178.0643 115 K 4.2882 7.8312 113.8362 57.4148 33.0626 177.6192 116 F 4.0301 8.0520 118.8884 57.0814 39.2737 174.0999 117 Y 4.3082 8.5999 124.8868 59.4068 38.9110 176.0547 118 K 3.7117 8.5762 124.3371 55.6888 30.2530 177.2440 119 A 3.9756 7.8024 121.5663 55.4708 17.9862 179.5770 120 E 3.8838 8.0580 115.5756 59.6540 29.8427 178.3710 121 E 4.2394 8.0885 117.9649 59.4839 29.4536 179.2005 122 I 4.1450 8.2875 120.3807 64.7056 37.1198 178.0667 123 T 4.1387 7.9436 107.7236 63.2714 68.9115 175.5799 124 E 4.2296 7.8213 120.7215 57.4984 29.8708 176.9421 125 R 4.0667 7.4340 115.7070 56.0232 32.5516 175.5382 126 W 5.3752 8.0363 115.1254 54.9848 33.3702 175.5626 127 T 4.3978 8.7073 118.5648 63.2841 69.5593 173.9648 128 V 4.8752 8.3593 124.7812 61.2917 34.0232 174.1852 129 M 4.7667 9.1751 127.2957 53.6895 35.2699 173.5285 130 A 5.2836 8.0793 127.7304 49.9945 20.3487 175.6216 131 C 4.6706 8.2595 120.6121 57.1685 30.3229 172.3544 132 P 4.2910 0.0000 0.0000 62.9300 31.7909 176.9717 133 E 4.3323 8.4003 121.6241 55.1674 28.0431 177.0656 134 K 3.9389 8.3599 121.7799 57.8372 32.7507 177.7566 135 V 4.2422 7.3270 116.8084 60.6971 33.1129 174.3085 136 K 4.6604 8.5863 126.8419 54.7957 32.4280 175.6138 137 I 4.4819 7.8470 124.0292 59.4589 40.8410 175.4832 138 R 4.3465 8.3268 124.5266 55.1219 31.4650 177.6619 139 S 4.1210 8.7069 117.7840 61.8296 62.8941 176.7558 140 T 3.8661 7.9176 112.9728 64.8363 68.2663 175.8625 141 D 4.3006 7.8430 121.6086 56.9670 40.7644 178.9050 142 I 3.8153 7.5711 119.8379 64.6284 37.1792 178.6152 143 R 4.0170 8.0960 118.8358 59.2494 29.7513 178.9429 144 N 4.3888 8.5942 116.5645 56.1085 38.5025 177.3109 145 A 4.0544 8.0388 122.3645 54.9945 17.9523 179.6642 146 L 3.9558 8.0309 117.5566 58.1260 41.5197 179.8543 147 I 3.8230 7.4816 120.7329 64.9998 37.1643 178.6631 148 E 4.2597 8.3452 117.5270 58.8270 29.6475 179.7200 149 G 4.0471 7.6558 106.4879 47.0012 0.0000 174.4451 150 K 4.3334 7.6765 120.2292 52.9208 32.6938 180.0137 151 D 4.3883 8.5014 120.2010 54.8445 41.6082 176.0879 152 I 3.5176 8.0187 118.2749 60.1878 38.1040 177.3651 153 S 4.0509 8.5573 118.1596 61.3422 62.7322 175.1154 154 T 4.4154 7.4448 108.6080 61.7077 69.0799 174.5081 155 Y 4.7561 8.0364 121.0669 59.4647 38.9935 174.7697 156 T 5.0372 7.4592 111.7911 60.2208 70.4708 172.9037 157 T 4.4741 8.4070 112.0818 60.4405 71.4330 173.6359 158 P 4.3626 0.0000 0.0000 65.6186 31.3786 179.2402 159 T 3.9591 8.6397 114.7918 66.3213 68.2510 177.0873 160 V 3.6193 7.9888 120.0856 66.0394 31.6930 178.0769 161 S 4.1799 8.3594 116.4675 62.0558 62.5614 176.8100 162 E 4.0874 8.0337 120.9731 60.9580 29.7874 180.8395 163 L 4.3451 8.0988 120.3042 57.5124 41.4206 179.6671 164 L 4.0218 7.9729 118.2912 57.8320 41.6743 179.3898 165 L 4.1092 7.8901 117.5860 56.7924 41.5548 176.7337 166 N 4.4964 7.6894 121.2478 53.5227 38.8998 174.2406 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 1 M 8.30 4.42 0.00 1.82 1.83 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.49 0.00 2 K 8.89 4.13 0.00 1.96 1.88 0.00 1.58 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.60 7.81 3 K 9.71 5.09 0.00 1.54 1.60 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.31 7.81 4 I 8.78 5.02 1.82 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.69 0.83 0.00 0.00 5 A 8.87 4.94 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.87 4.83 1.91 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 1.29 1.87 1.09 0.00 0.00 7 F 9.67 5.24 0.00 2.92 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 8 G 8.60 4.59 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 0.00 0.00 0.00 9 S 7.77 4.27 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.36 3.99 1.22 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 11 F 7.15 3.59 0.00 3.07 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 12 N 7.51 5.16 0.00 2.60 2.67 0.00 0.00 7.25 7.69 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 13 P 0.00 5.05 0.00 2.19 2.03 0.00 3.45 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 14 P 0.00 4.09 0.00 0.79 1.16 0.00 3.62 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 1.74 1.67 0.00 15 S 8.20 4.85 0.00 4.19 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.94 4.44 0.00 1.81 1.86 1.08 1.12 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 17 G 8.15 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 0.00 0.00 0.00 18 H 8.20 4.62 0.00 3.68 3.95 0.00 5.83 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 19 K 8.67 4.08 0.00 2.12 2.17 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.41 7.81 20 S 8.10 4.29 0.00 4.10 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.33 3.68 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.83 0.00 0.00 22 I 7.96 3.70 1.96 0.00 0.00 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 1.84 1.27 0.93 0.00 0.00 23 E 8.32 4.19 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 24 S 7.73 4.51 0.00 4.06 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.60 4.97 0.00 1.83 1.69 0.64 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.33 4.28 0.00 4.00 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 27 H 8.42 4.46 0.00 3.10 3.35 0.00 5.54 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 7.91 4.29 0.00 3.19 3.03 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 29 D 8.72 4.61 0.00 2.68 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 30 L 7.81 4.79 0.00 1.65 1.34 0.97 0.65 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 31 V 9.29 4.71 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 1.00 0.00 0.00 0.90 0.00 0.00 32 L 9.18 5.07 0.00 1.62 1.61 0.98 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.97 5.05 0.00 1.39 1.20 0.89 0.83 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 34 E 9.12 4.99 0.00 2.19 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 2.30 2.41 0.00 35 P 0.00 5.28 0.00 2.20 2.19 0.00 3.94 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 36 S 8.94 4.61 0.00 3.91 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.80 3.82 1.68 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.21 0.66 0.00 0.00 *45 M 8.11 4.25 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 46 L 8.55 4.56 0.00 1.75 1.63 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.41 4.67 0.00 3.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.52 4.15 0.00 3.05 3.03 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 49 P 0.00 4.04 0.00 2.19 2.07 0.00 3.91 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 50 I 7.96 3.64 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 1.50 1.35 1.04 0.00 0.00 51 R 8.00 3.93 0.00 1.99 1.97 0.00 3.58 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 52 C 7.96 3.89 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 53 K 7.87 3.87 0.00 1.79 1.90 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.45 7.81 54 L 8.29 3.98 0.00 1.78 1.65 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.90 3.48 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 0.81 0.00 0.00 0.47 0.00 0.00 56 D 8.23 4.31 0.00 2.85 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 57 A 8.09 3.99 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 58 F 8.60 4.25 0.00 3.06 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.15 3.51 1.97 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 1.34 1.19 0.90 0.00 0.00 60 K 7.78 3.86 0.00 1.75 2.02 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 61 D 8.07 4.48 0.00 2.81 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 62 M 8.19 4.11 0.00 1.85 1.80 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.89 0.00 0.00 84 T 8.17 4.36 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 85 T 8.46 3.71 4.41 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 0.34 0.00 0.00 86 Y 8.32 4.11 0.00 3.21 3.25 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 87 A 8.32 3.98 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.92 3.81 0.00 1.75 1.73 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.67 3.41 0.00 0.40 0.13 0.63 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 90 E 7.71 3.91 0.00 1.67 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 2.31 2.36 0.00 91 K 7.84 4.05 0.00 1.96 1.88 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 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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 0.00 142 I 7.57 3.82 2.00 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 1.65 0.68 1.05 0.00 0.00 143 R 8.10 4.02 0.00 1.88 1.99 0.00 3.13 0.00 0.00 3.49 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 144 N 8.59 4.39 0.00 2.82 2.88 0.00 0.00 6.83 8.09 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 0.00 145 A 8.04 4.05 1.58 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 0.00 146 L 8.03 3.96 0.00 1.94 1.75 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.48 3.82 2.00 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 1.39 0.64 0.92 0.00 0.00 148 E 8.35 4.26 0.00 2.06 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 2.26 2.19 0.00 149 G 7.66 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 K 7.68 4.33 0.00 1.81 1.60 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.69 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.24 7.81 151 D 8.50 4.39 0.00 2.54 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.02 3.52 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 1.44 1.09 1.02 0.00 0.00 153 S 8.56 4.05 0.00 3.91 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 0.00 154 T 7.44 4.42 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 1.18 0.00 0.00 155 Y 8.04 4.76 0.00 3.09 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 T 7.46 5.04 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 1.30 0.00 0.00 157 T 8.41 4.47 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 1.39 0.00 0.00 158 P 0.00 4.36 0.00 2.19 2.15 0.00 4.01 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 159 T 8.64 3.96 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 160 V 7.99 3.62 2.30 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 1.16 0.00 0.00 1.09 0.00 0.00 161 S 8.36 4.18 0.00 4.09 4.12 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 0.00 162 E 8.03 4.09 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 163 L 8.10 4.35 0.00 1.84 1.74 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 164 L 7.97 4.02 0.00 1.77 1.74 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 165 L 7.89 4.11 0.00 1.76 1.73 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 166 N 7.69 4.50 0.00 2.82 2.68 0.00 0.00 7.02 8.14 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 * Residues marked with a * may have inaccurate shift predictions.