NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.4238 8.1627 118.7860 54.0383 33.1953 176.1023 5 K 4.2968 8.1828 122.4963 58.4943 32.1800 177.7481 6 H 3.9940 8.8292 117.8103 58.9563 29.0102 177.1875 7 T 3.8523 7.7801 117.0650 66.5769 68.2830 176.3250 8 E 3.9025 7.9716 120.1078 59.5600 29.7013 178.9667 9 L 3.8964 8.5659 119.8641 58.1884 41.7010 179.6901 10 R 3.9553 8.3331 117.3986 59.4188 30.0654 178.5918 11 A 3.9134 8.2418 120.4290 55.4303 18.1660 179.1420 12 A 3.8900 7.9168 118.8339 55.5641 18.3728 180.0975 13 V 3.4909 7.3184 115.0190 66.1199 31.6726 177.9993 14 L 4.0202 7.8335 118.7105 58.0548 41.5995 179.0790 15 D 4.1937 8.2624 118.4792 57.6055 40.6684 178.9787 16 A 4.0854 7.5834 119.2747 54.1797 18.4588 178.5081 17 L 4.3498 7.6446 117.7765 55.8022 42.5045 176.5508 18 E 4.1653 7.5268 116.2765 56.1796 30.1516 177.6441 19 K 3.7858 7.4198 124.1117 58.7795 32.0717 184.0412 *20 H 4.2283 8.1416 119.5377 56.5962 28.2420 177.9776 21 D 4.6754 7.6212 117.8127 53.9412 40.6410 181.5880 *23 G 3.9030 8.1652 103.6105 47.2709 0.0000 172.1864 24 A 4.9807 8.0404 118.2882 50.2053 22.5429 176.8523 25 T 4.6372 8.4887 115.7856 62.2538 70.6797 174.3030 26 F 5.1751 8.7550 122.9182 55.9382 42.5051 174.8169 27 F 4.6960 9.1664 118.4968 55.9668 43.2948 174.1572 28 D 4.6821 9.2236 123.6491 50.0756 38.9869 174.5005 29 G 4.2333 8.5264 106.9695 42.4408 0.0000 171.5732 30 R 3.6656 7.9547 121.5605 55.3472 30.1110 174.9441 31 P 3.9367 0.0000 0.0000 62.3036 31.7826 176.4992 32 A 3.8871 8.0673 127.3312 54.9923 18.8351 178.7900 33 V 4.1669 6.7062 110.2661 59.1034 35.6605 176.4578 34 F 4.7443 8.4222 119.9313 55.9579 41.5731 174.5258 35 D 5.0957 9.1701 122.8798 53.0524 43.0366 178.0319 36 E 4.0484 9.0639 117.8895 59.2950 29.6615 178.5747 37 A 4.5085 7.9381 117.9324 52.8473 18.6943 177.3619 38 D 4.6071 8.4346 116.5871 54.2793 41.5592 176.3597 39 F 4.6327 7.0038 118.3212 55.5327 40.1069 173.7606 40 P 4.4189 0.0000 0.0000 62.7224 32.1302 175.2077 41 A 4.9406 8.6439 126.8353 50.0902 21.0976 176.1813 42 V 4.7451 8.6357 120.1106 61.1572 34.9883 173.8953 43 A 5.4535 9.3611 129.8043 50.1569 22.3154 174.7067 44 V 4.8827 8.5151 121.4320 60.4627 34.5596 174.1266 45 Y 5.1304 7.6056 123.6540 56.7442 40.9561 172.4337 46 L 6.0712 9.0295 118.7322 52.5729 45.1343 176.1322 47 T 4.6384 8.2317 109.8142 60.4750 72.7658 173.6017 48 G 4.1062 9.0537 108.1166 46.3529 0.0000 173.3439 49 A 4.7627 8.4255 121.5287 52.2313 18.7620 177.6286 50 E 4.5948 9.7123 120.3642 54.9588 33.5816 174.6747 51 Y 3.1365 7.3829 121.2902 57.0460 39.9735 175.6463 52 T 3.9373 7.1554 118.3149 61.5406 71.1255 174.5316 53 G 4.3012 6.7552 106.0355 44.7448 0.0000 172.5266 54 E 3.7056 7.9993 124.3091 55.0415 30.3612 177.6180 *57 D 4.6050 8.6302 123.4316 53.1251 42.1688 174.7116 *58 S 4.8581 7.8919 111.6388 56.9576 65.5114 178.8627 59 D 5.0509 8.1688 119.4639 53.9630 40.7233 174.6796 60 T 4.4254 9.1479 121.1933 63.1258 69.9851 173.2510 61 W 5.2877 8.8603 124.3678 55.6274 34.5191 173.2662 62 Q 5.0701 8.8926 119.8789 56.0782 32.5635 172.5614 63 A 4.7170 8.3291 123.1092 51.9079 22.8138 174.6602 64 E 4.8697 8.7754 119.4293 55.2124 31.4226 175.4254 65 L 4.8625 9.0730 127.7426 54.0445 43.8560 174.9310 66 H 5.1773 9.0238 123.3513 54.4352 32.3049 174.2040 67 I 4.7593 8.1852 121.8150 60.4430 40.1494 172.9241 68 E 4.7750 9.2740 128.7248 54.1612 32.2855 174.3479 69 V 4.4873 8.2330 126.1916 61.0073 34.1180 174.0669 70 F 5.2701 8.9903 126.7046 55.6690 41.5878 174.6404 71 L 5.1308 8.5004 122.8400 51.8389 45.4375 173.9950 72 P 3.7582 0.0000 0.0000 62.7750 31.8988 177.9484 73 A 3.9643 8.2174 125.3013 53.6161 16.7369 180.4479 74 Q 4.3205 8.6147 115.6687 55.2948 27.3863 172.7059 75 V 4.4520 7.7036 120.9904 57.0156 34.1702 173.0197 76 P 4.3529 0.0000 0.0000 62.3831 31.5977 176.9307 77 D 4.5914 9.0669 125.5978 58.5697 40.6215 179.4831 78 S 4.1623 8.2877 118.2173 63.8369 61.9556 178.9978 79 E 4.2174 8.5859 122.4214 59.2711 29.2335 179.5412 80 L 4.1751 7.8644 118.4592 57.7636 41.8783 178.6466 81 D 4.8178 8.8054 120.1763 56.7440 40.7862 178.6104 82 A 4.1169 8.2910 121.2466 55.1389 18.4327 179.4298 83 W 3.8934 8.0824 126.7207 60.6943 30.8230 177.8012 84 M 4.1948 8.6546 120.6458 59.4302 31.5689 178.5354 85 E 4.3780 9.0051 117.9865 61.0850 30.0228 180.4109 86 S 4.7289 8.0366 112.6546 58.9470 63.8323 175.4762 87 R 4.3337 7.7994 119.7152 55.8195 31.8086 176.6011 88 I 4.3677 7.5347 117.4405 63.0998 38.9109 177.1182 89 Y 4.3909 7.9373 116.8072 61.1490 37.5752 177.1127 90 P 4.3464 0.0000 0.0000 65.3978 31.6173 178.0565 91 V 3.9859 7.7920 116.3300 64.9991 31.4885 177.6557 92 M 4.2035 7.9267 119.4245 58.3187 31.9266 178.9584 93 S 4.6327 8.0934 117.6689 61.3879 62.8605 178.4189 94 D 4.7878 7.5611 117.3163 53.3617 42.2708 174.7182 95 I 4.6079 7.7126 127.1052 57.6647 38.8077 173.9703 96 P 4.1992 0.0000 0.0000 65.4331 31.2675 177.3639 97 A 3.9792 8.0077 117.8289 55.3009 18.5837 179.0289 98 L 4.0011 7.7648 118.0741 58.3769 42.1952 178.6887 99 S 4.0680 7.9542 115.0570 61.9187 62.6115 176.2800 100 D 4.3784 8.3336 121.2654 57.5328 40.8464 178.5927 101 L 4.2172 7.6210 117.1462 55.7367 41.9806 176.3853 102 I 4.6823 7.7170 111.3979 59.2796 39.9136 175.3309 103 T 4.4710 9.4043 109.5459 60.5497 69.1786 174.2222 104 S 5.1853 7.1886 120.9020 59.3174 64.7727 175.3795 105 M 5.1640 8.1895 118.7122 55.0310 34.9812 173.7681 106 V 4.7378 8.5510 122.9540 60.3354 35.3406 173.1133 107 A 4.3782 8.7865 123.7093 52.7068 18.6251 176.2660 108 S 4.4762 8.6635 113.4411 59.0614 64.8388 174.4379 109 G 4.2470 8.2819 105.8810 44.0057 0.0000 170.1084 110 Y 4.8094 8.3825 119.7613 56.3427 41.1269 173.2558 111 D 5.1336 8.9170 126.9219 52.6130 44.5080 174.9393 112 Y 5.0854 8.5181 117.4831 56.5021 40.4929 175.4663 113 R 4.8951 9.4279 124.2436 55.6400 35.3339 174.9544 114 R 4.3051 8.2021 119.5532 55.9816 33.8861 175.3558 115 D 3.9189 7.2074 115.3123 53.9847 40.5923 177.0582 116 D 4.3136 8.5436 123.9489 57.2812 41.1637 178.1541 117 D 4.4121 8.1069 116.9207 57.0278 40.2974 176.5753 118 A 4.4114 7.5151 119.3375 49.9273 22.3408 174.4134 119 G 3.2056 8.2848 101.4517 44.7393 0.0000 175.4959 120 L 4.2221 8.1159 121.4670 55.6915 42.2164 176.9375 121 W 4.7162 6.8467 115.9049 56.5481 30.7345 174.1357 122 S 5.4065 8.3764 119.6650 57.4778 66.2435 173.6252 123 S 5.4801 9.6340 113.0811 58.6172 66.6151 172.8433 124 A 4.7397 8.1841 122.2027 50.0370 21.9906 174.9816 125 D 4.6666 8.7456 121.9910 52.1395 44.0587 174.3097 126 L 4.4112 8.0774 129.2891 54.4076 43.6376 175.5557 127 T 5.5095 8.2581 114.6039 59.2614 72.7332 172.2915 128 Y 5.1271 8.3760 121.6866 57.3831 42.9368 175.0725 129 V 4.8294 8.7604 122.8046 60.6495 33.6238 173.8856 130 I 5.3060 8.9516 117.4389 58.8288 41.4683 174.1165 131 T 5.2263 8.2978 113.9158 60.5635 71.7232 172.3761 132 Y 5.1081 8.0850 122.3892 58.0283 41.9296 173.1379 133 E 5.0923 8.8744 118.1875 55.1644 31.8594 176.1559 134 M 4.2918 8.8286 123.7510 54.9127 31.8972 175.7572 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 4 M 8.16 4.42 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.11 0.00 5 K 8.18 4.30 0.00 1.90 1.85 0.00 1.89 0.00 0.00 2.06 0.00 0.00 3.27 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.59 7.81 6 H 8.83 3.99 0.00 3.15 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.78 3.85 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 1.19 0.00 0.00 8 E 7.97 3.90 0.00 2.16 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 2.55 0.00 9 L 8.57 3.90 0.00 1.63 1.57 0.03 0.70 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 10 R 8.33 3.96 0.00 2.00 2.01 0.00 3.37 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 11 A 8.24 3.91 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 12 A 7.92 3.89 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 13 V 7.32 3.49 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 1.05 0.00 0.00 0.88 0.00 0.00 14 L 7.83 4.02 0.00 1.88 1.88 0.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.26 4.19 0.00 2.76 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 16 A 7.58 4.09 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 17 L 7.64 4.35 0.00 1.94 1.92 1.06 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.53 4.17 0.00 1.16 1.12 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 2.07 1.85 0.00 19 K 7.42 3.79 0.00 1.73 1.77 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.27 7.81 *20 H 8.14 4.23 0.00 2.92 3.02 0.00 7.17 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.62 4.68 0.00 2.71 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 *23 G 8.17 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 0.00 0.00 0.00 24 A 8.04 4.98 1.37 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 25 T 8.49 4.64 4.49 0.00 0.00 0.00 0.00 0.00 0.00 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 26 F 8.76 5.18 0.00 2.83 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 27 F 9.17 4.70 0.00 2.96 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 28 D 9.22 4.68 0.00 2.70 2.62 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 29 G 8.53 4.23 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 0.00 30 R 7.95 3.67 0.00 0.67 1.40 0.00 3.33 0.00 0.00 2.41 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.44 0.00 31 P 0.00 3.94 0.00 0.49 0.73 0.00 3.12 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 0.79 1.30 0.00 32 A 8.07 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 6.71 4.17 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 0.79 0.00 0.00 0.93 0.00 0.00 34 F 8.42 4.74 0.00 2.64 2.47 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 0.00 0.00 0.00 0.00 35 D 9.17 5.10 0.00 2.91 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 36 E 9.06 4.05 0.00 1.89 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 2.32 1.91 0.00 37 A 7.94 4.51 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 38 D 8.43 4.61 0.00 2.34 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 39 F 7.00 4.63 0.00 2.88 2.85 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 0.00 0.00 0.00 0.00 40 P 0.00 4.42 0.00 1.88 1.14 0.00 3.80 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.18 0.00 41 A 8.64 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.64 4.75 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 0.98 0.00 0.00 0.52 0.00 0.00 43 A 9.36 5.45 1.51 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 0.00 0.00 44 V 8.52 4.88 2.19 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 1.19 0.00 0.00 1.03 0.00 0.00 45 Y 7.61 5.13 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 46 L 9.03 6.07 0.00 1.54 1.63 0.68 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.23 4.64 4.37 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 1.37 0.00 0.00 48 G 9.05 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 49 A 8.43 4.76 1.60 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 0.00 0.00 50 E 9.71 4.59 0.00 1.81 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 0.00 2.18 2.09 0.00 51 Y 7.38 3.14 0.00 1.71 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 0.00 0.00 0.00 52 T 7.16 3.94 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 1.02 0.00 0.00 53 G 6.76 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 54 E 8.00 3.71 0.00 1.95 1.83 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 2.28 2.29 0.00 *57 D 8.63 4.61 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 *58 S 7.89 4.86 0.00 3.59 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 59 D 8.17 5.05 0.00 2.95 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 60 T 9.15 4.43 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 1.01 0.00 0.00 61 W 8.86 5.29 0.00 2.56 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 62 Q 8.89 5.07 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 63 A 8.33 4.72 1.51 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 0.00 0.00 64 E 8.78 4.87 0.00 2.12 1.85 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 0.00 2.44 2.49 0.00 65 L 9.07 4.86 0.00 1.74 1.61 0.91 0.72 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 66 H 9.02 5.18 0.00 1.66 2.53 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.19 4.76 1.83 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 1.15 0.78 0.94 0.00 0.00 68 E 9.27 4.77 0.00 2.10 1.83 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 1.47 1.88 0.00 69 V 8.23 4.49 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 0.27 0.00 0.00 0.88 0.00 0.00 70 F 8.99 5.27 0.00 2.44 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 71 L 8.50 5.13 0.00 1.50 1.41 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 3.76 0.00 1.70 0.96 0.00 3.70 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 73 A 8.22 3.96 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 74 Q 8.61 4.32 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.67 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00 75 V 7.70 4.45 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 0.96 0.00 0.00 0.93 0.00 0.00 76 P 0.00 4.35 0.00 2.21 2.23 0.00 3.71 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 2.10 2.01 0.00 77 D 9.07 4.59 0.00 2.53 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 78 S 8.29 4.16 0.00 3.73 3.86 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 79 E 8.59 4.22 0.00 2.09 2.14 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 2.42 2.47 0.00 80 L 7.86 4.18 0.00 2.12 1.83 1.08 1.14 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 81 D 8.81 4.82 0.00 3.00 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 82 A 8.29 4.12 1.46 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 0.00 0.00 83 W 8.08 3.89 0.00 3.61 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 84 M 8.65 4.19 0.00 2.56 2.31 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.74 0.00 85 E 9.01 4.38 0.00 2.07 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 2.20 0.00 86 S 8.04 4.73 0.00 3.95 3.97 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 0.00 0.00 0.00 87 R 7.80 4.33 0.00 1.11 1.51 0.00 2.85 0.00 0.00 2.63 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 88 I 7.53 4.37 1.90 0.00 0.00 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 1.75 1.21 0.90 0.00 0.00 89 Y 7.94 4.39 0.00 3.25 2.97 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 0.00 0.00 0.00 90 P 0.00 4.35 0.00 2.05 2.16 0.00 3.69 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 91 V 7.79 3.99 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 1.13 0.00 0.00 0.96 0.00 0.00 92 M 7.93 4.20 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.99 0.00 93 S 8.09 4.63 0.00 3.71 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 94 D 7.56 4.79 0.00 2.68 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 95 I 7.71 4.61 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.50 0.87 0.00 0.00 96 P 0.00 4.20 0.00 2.14 2.09 0.00 3.60 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 97 A 8.01 3.98 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 98 L 7.76 4.00 0.00 1.71 1.81 0.84 0.70 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 99 S 7.95 4.07 0.00 4.10 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 0.00 100 D 8.33 4.38 0.00 2.62 2.77 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 0.00 101 L 7.62 4.22 0.00 1.82 1.68 0.94 0.53 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 0.00 102 I 7.72 4.68 2.11 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 1.67 0.69 0.87 0.00 0.00 103 T 9.40 4.47 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 1.26 0.00 0.00 104 S 7.19 5.19 0.00 4.03 4.09 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 0.00 105 M 8.19 5.16 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 106 V 8.55 4.74 2.15 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 0.68 0.00 0.00 1.00 0.00 0.00 107 A 8.79 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 0.00 108 S 8.66 4.48 0.00 3.80 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 0.00 109 G 8.28 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 0.00 0.00 0.00 0.00 110 Y 8.38 4.81 0.00 3.03 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 0.00 111 D 8.92 5.13 0.00 2.46 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 0.00 112 Y 8.52 5.09 0.00 2.86 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 0.00 113 R 9.43 4.90 0.00 1.85 1.96 0.00 3.14 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 114 R 8.20 4.31 0.00 1.53 1.67 0.00 3.24 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 115 D 7.21 3.92 0.00 1.58 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 0.00 0.00 0.00 116 D 8.54 4.31 0.00 2.65 2.67 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 0.00 117 D 8.11 4.41 0.00 2.65 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 0.00 118 A 7.52 4.41 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 0.00 119 G 8.28 3.21 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 0.00 120 L 8.12 4.22 0.00 2.00 2.11 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 121 W 6.85 4.72 0.00 3.53 3.09 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 0.00 122 S 8.38 5.41 0.00 3.34 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 0.00 123 S 9.63 5.48 0.00 3.07 3.70 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 0.00 124 A 8.18 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.75 4.67 0.00 2.55 2.33 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 0.00 126 L 8.08 4.41 0.00 1.47 1.44 0.66 0.49 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 0.00 127 T 8.26 5.51 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 0.84 0.00 0.00 128 Y 8.38 5.13 0.00 2.88 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 0.00 129 V 8.76 4.83 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 0.75 0.00 0.00 0.93 0.00 0.00 130 I 8.95 5.31 1.98 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 1.57 0.92 0.95 0.00 0.00 131 T 8.30 5.23 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 1.24 0.00 0.00 132 Y 8.08 5.11 0.00 3.13 3.08 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 0.00 133 E 8.87 5.09 0.00 1.76 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 2.14 1.85 0.00 134 M 8.83 4.29 0.00 1.84 1.55 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.