NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4575 8.3349 116.7903 58.3341 65.2077 174.3797 2 K 4.2656 7.6997 119.2842 54.9052 33.0678 174.8640 3 T 5.4595 8.6607 112.7280 60.1477 73.2323 172.3560 4 I 4.5618 8.6670 121.6927 59.1155 40.9421 173.9993 5 V 4.7579 8.4813 128.9798 59.9442 33.5364 174.8724 6 L 4.6009 8.8038 125.3563 52.9985 43.9969 175.7480 7 S 4.7911 8.6542 121.0115 57.4902 63.3355 175.0254 8 V 3.9533 8.2964 127.4505 61.9201 31.1300 177.9053 9 G 3.8813 8.0538 118.2201 46.2827 0.0000 172.0708 10 E 4.0044 9.3568 122.3409 58.4363 30.2157 176.3904 11 A 4.1966 7.8620 121.5627 52.1743 19.1488 175.9232 12 T 5.1142 8.1770 111.0179 60.0975 72.1352 174.1121 13 R 4.4879 8.6903 121.0479 55.2581 34.1885 174.4280 14 T 4.6272 8.5869 121.8933 62.2555 70.2244 173.8370 15 L 4.8450 8.7664 127.7717 53.8857 43.7489 175.9369 16 T 5.0445 8.9686 120.5841 61.3618 71.2898 173.4897 17 E 3.6746 9.0328 128.4071 56.2485 29.5053 176.2796 18 I 4.3472 8.5224 119.8861 61.7422 39.9837 175.4362 19 Q 4.4523 7.5410 121.4381 54.9181 32.4076 173.8399 20 S 5.2996 8.2505 117.5507 58.3555 62.0494 173.6064 21 T 3.9293 8.0549 114.5204 64.2331 69.8258 176.2927 *23 D 4.7526 7.9838 121.6771 51.9819 42.0581 174.7800 24 R 4.8359 7.2465 116.6142 54.4660 33.9864 175.2105 25 Q 4.9044 8.3271 115.7179 55.4052 34.0485 173.8966 26 I 5.2361 8.7009 124.3511 59.6117 41.3751 174.4840 27 F 5.3260 9.7640 124.3309 55.9654 43.1946 173.9173 28 E 5.1810 9.0953 119.8053 54.8258 34.4363 174.4696 29 E 4.6574 8.7926 124.7279 54.6651 29.6470 177.4172 30 K 4.3784 8.2926 130.7554 54.4621 30.8289 176.2945 31 V 4.3704 7.1968 118.2310 62.1106 35.6975 176.0068 32 G 3.7579 8.6485 114.7947 45.5431 0.0000 171.1497 33 P 4.5944 0.0000 0.0000 62.3298 32.4629 175.5785 34 L 4.5898 8.0927 116.6021 55.9020 40.8616 178.5239 35 V 3.7058 7.9704 119.6639 66.2279 32.1499 177.1355 36 G 4.2372 7.4978 104.9281 44.5248 0.0000 172.8780 37 R 4.0713 7.6954 116.6045 55.4273 31.5377 176.9960 38 L 4.2855 8.4658 123.7838 55.3314 43.4153 175.3626 39 R 5.0965 8.8881 126.7895 54.4956 33.0687 173.5952 40 L 5.1450 8.7347 128.9437 54.1113 44.2973 175.0798 41 T 5.2546 9.1592 122.5460 61.7442 72.0524 172.6859 42 A 5.4270 9.3449 128.5808 50.2830 22.2130 175.1037 43 S 5.1673 9.3036 115.1537 57.0316 67.2706 172.7414 44 L 5.3423 8.3361 122.3988 53.7123 45.0008 175.3447 45 R 4.8696 8.9378 121.3012 55.1166 33.6401 173.4031 46 Q 5.1335 8.5359 116.8472 53.9024 32.0088 175.5148 47 N 4.3633 8.4548 119.6540 51.8846 38.5288 174.9486 48 G 3.7232 9.0466 106.1694 49.5559 0.0000 173.4586 49 A 4.1117 7.5148 124.2883 51.1408 19.7931 178.4489 50 K 4.2722 8.2970 122.6703 56.0761 30.9052 176.9507 51 T 4.6369 7.5685 107.9352 61.2919 71.9464 175.2424 52 A 4.9790 8.2142 123.7000 50.9165 23.1634 174.8459 53 Y 4.9258 9.4281 119.3109 56.7976 40.9114 175.2348 54 R 5.0521 8.8763 121.6500 54.5687 32.7957 175.1259 55 V 4.5071 8.6542 125.6102 62.1778 33.1014 174.4221 56 N 5.6468 9.3844 125.6032 51.4366 41.7122 173.3532 57 L 5.2750 8.7906 124.3918 53.3753 46.1920 175.0379 58 K 4.9714 8.8777 125.7356 55.0930 36.3323 174.0544 59 L 5.0857 8.9414 129.7620 53.5847 44.4659 174.4542 60 D 5.2060 9.2264 127.6642 52.9759 43.0237 175.4517 61 Q 4.6960 9.1975 125.6674 54.0154 30.7909 174.3470 62 A 4.6309 8.5408 128.0209 51.7168 19.9363 175.7207 63 D 4.6348 8.3712 120.5964 52.8185 42.7027 175.8856 64 V 4.5034 8.0709 117.9307 58.6830 36.1442 175.6621 *68 G 3.6033 8.1226 108.0589 45.4917 0.0000 172.8728 *75 L 4.1399 7.5269 116.7724 53.4890 43.2629 175.4962 76 P 4.4917 0.0000 0.0000 62.2959 32.1809 175.7102 77 K 4.4721 8.1123 122.1719 54.4318 35.2744 175.4987 78 V 3.8679 8.2607 125.3341 62.6890 31.5777 175.8632 79 R 4.2534 8.4597 127.6946 58.8729 30.1011 176.5557 80 Y 5.0073 7.0502 114.8937 56.1524 41.4131 172.5960 81 T 5.1433 8.6498 110.5533 60.1691 71.0420 173.2181 82 Q 4.8595 8.9762 124.4986 54.2138 31.5760 174.8114 83 V 5.0266 8.3121 121.2955 61.0268 35.3964 174.7011 84 W 5.0422 9.1956 135.0000 55.9909 33.1952 173.8807 85 S 5.4508 8.9110 121.5248 56.9846 65.5293 173.0655 86 H 5.0924 9.6916 117.8916 54.1740 32.4751 172.5809 87 D 4.7658 8.8022 120.8759 52.8624 43.7559 174.2399 88 V 4.3749 9.0307 127.4968 61.4838 33.7443 174.4328 89 T 4.9917 8.6288 124.9274 62.3319 69.8780 174.1014 90 I 4.5035 8.5381 128.4545 59.2423 39.8025 175.4813 91 V 4.0682 8.4599 127.6248 62.4947 32.2243 176.7306 92 A 4.1914 8.9031 131.8574 55.4857 18.3325 178.2547 93 N 4.7122 8.0735 109.6788 53.0945 37.8204 175.4537 94 S 4.3455 7.5734 114.3159 58.2864 63.6564 174.7294 95 T 4.1963 8.1429 112.3463 61.2321 70.8102 175.1754 96 E 3.8756 8.6678 121.7676 59.5093 29.6654 178.7390 97 A 4.0437 8.0385 120.5158 55.2428 18.4569 179.5717 98 S 4.1065 8.0329 112.2622 61.5050 62.9559 177.0951 99 R 3.9570 7.5652 121.4705 58.7614 30.0195 178.4505 100 K 3.8807 8.0036 119.4905 59.7221 32.0469 178.3974 101 S 4.0550 8.2291 113.0650 61.5133 62.3586 175.7196 102 L 3.9436 7.9748 122.8648 58.3748 41.6928 178.3996 103 Y 3.9799 8.5271 119.6258 60.9252 38.8347 177.6172 104 D 4.2256 8.7452 120.0936 57.4810 40.8827 179.0302 105 L 4.0004 8.1280 119.4272 58.0269 41.5788 179.6454 106 T 3.9165 7.8202 115.7826 66.2198 68.3487 176.7319 107 K 3.6762 7.8391 121.7249 59.3545 31.9037 178.6704 108 S 4.0040 7.9536 113.3854 61.3307 62.0589 175.8618 109 L 3.9652 7.9906 121.8701 58.2313 41.9353 178.7977 110 V 3.8283 7.8969 116.9109 65.9862 31.6181 177.5732 111 A 4.1172 7.7506 118.6518 53.2935 18.8949 177.9110 112 T 4.0634 7.2226 108.9650 61.1551 69.7612 176.0546 113 S 4.2119 8.6567 119.1244 61.4197 63.0050 176.7299 114 Q 3.9766 8.0709 121.5340 59.0460 28.5586 178.8063 115 V 3.6174 7.6028 119.2130 65.7777 31.5636 177.4405 116 E 4.0015 8.1014 118.7041 59.6212 29.4717 178.4771 117 D 4.6412 8.2048 117.8014 57.0721 41.1701 178.0449 118 L 4.1913 7.8684 122.4218 57.5632 41.9221 179.1462 119 V 3.4754 7.6141 116.9495 65.7401 31.5812 177.9453 120 V 3.8064 8.1965 117.1264 65.4222 30.8850 176.9415 121 N 4.8096 7.9240 113.3017 51.7707 38.9367 175.1519 122 L 3.5550 7.4995 118.5739 55.5089 39.9177 174.3057 123 V 3.9350 7.0346 116.0123 61.1546 31.9731 174.0768 124 P 4.3086 0.0000 0.0000 62.3218 31.8161 176.0730 125 L 4.0436 8.0485 120.4886 54.9520 42.2326 177.5545 126 G 3.8781 9.6567 108.7990 46.7489 0.0000 174.2257 127 R 4.2042 8.2802 123.1167 56.0272 30.6278 176.0069 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 S 8.33 4.46 0.00 3.87 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 2 K 7.70 4.27 0.00 1.96 1.84 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.52 7.81 3 T 8.66 5.46 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 4 I 8.67 4.56 1.44 0.00 0.00 0.61 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 1.53 0.36 0.00 0.00 5 V 8.48 4.76 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 0.77 0.00 0.00 0.92 0.00 0.00 6 L 8.80 4.60 0.00 1.54 1.55 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.65 4.79 0.00 3.73 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 8 V 8.30 3.95 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 0.74 0.00 0.00 0.91 0.00 0.00 9 G 8.05 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 0.00 0.00 0.00 10 E 9.36 4.00 0.00 1.92 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 2.29 2.36 0.00 11 A 7.86 4.20 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 12 T 8.18 5.11 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 1.20 0.00 0.00 13 R 8.69 4.49 0.00 1.73 1.82 0.00 3.11 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 14 T 8.59 4.63 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 1.23 0.00 0.00 15 L 8.77 4.85 0.00 1.73 1.72 0.90 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.97 5.04 4.27 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 1.21 0.00 0.00 17 E 9.03 3.67 0.00 1.50 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 0.00 1.87 1.47 0.00 18 I 8.52 4.35 1.82 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 1.11 0.76 0.93 0.00 0.00 19 Q 7.54 4.45 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 20 S 8.25 5.30 0.00 3.94 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 21 T 8.05 3.93 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 1.23 0.00 0.00 *23 D 7.98 4.75 0.00 2.80 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 24 R 7.25 4.84 0.00 1.85 1.89 0.00 3.17 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 25 Q 8.33 4.90 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 26 I 8.70 5.24 1.83 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 1.26 0.73 0.95 0.00 0.00 27 F 9.76 5.33 0.00 2.86 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.10 5.18 0.00 1.89 1.79 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 2.25 2.28 0.00 29 E 8.79 4.66 0.00 2.01 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 2.35 2.27 0.00 30 K 8.29 4.38 0.00 1.79 1.76 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.59 7.81 31 V 7.20 4.37 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 0.77 0.00 0.00 0.98 0.00 0.00 32 G 8.65 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 0.00 0.00 0.00 33 P 0.00 4.59 0.00 2.18 2.06 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 34 L 8.09 4.59 0.00 1.77 1.78 0.92 0.59 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 35 V 7.97 3.71 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 0.78 0.00 0.00 0.92 0.00 0.00 36 G 7.50 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 0.00 0.00 0.00 0.00 37 R 7.70 4.07 0.00 1.82 1.89 0.00 3.22 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 38 L 8.47 4.29 0.00 1.79 1.57 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.89 5.10 0.00 1.94 1.76 0.00 3.16 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 40 L 8.73 5.15 0.00 1.83 1.57 0.92 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 41 T 9.16 5.25 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 1.30 0.00 0.00 42 A 9.34 5.43 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 43 S 9.30 5.17 0.00 3.85 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 44 L 8.34 5.34 0.00 1.61 1.56 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.94 4.87 0.00 1.93 2.02 0.00 2.79 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 46 Q 8.54 5.13 0.00 1.86 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.07 0.00 0.00 0.00 0.00 0.00 1.80 2.33 0.00 47 N 8.45 4.36 0.00 2.72 2.82 0.00 0.00 6.84 7.11 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 48 G 9.05 3.72 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 0.00 49 A 7.51 4.11 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 50 K 8.30 4.27 0.00 1.70 1.70 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.33 7.81 51 T 7.57 4.64 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 1.18 0.00 0.00 52 A 8.21 4.98 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 53 Y 9.43 4.93 0.00 2.88 2.89 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 54 R 8.88 5.05 0.00 1.74 1.88 0.00 3.32 0.00 0.00 3.12 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 55 V 8.65 4.51 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 1.01 0.00 0.00 0.95 0.00 0.00 56 N 9.38 5.65 0.00 2.66 2.72 0.00 0.00 5.97 6.40 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 57 L 8.79 5.27 0.00 1.76 1.49 0.89 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.88 4.97 0.00 1.92 1.77 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.46 7.81 59 L 8.94 5.09 0.00 1.83 1.57 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 60 D 9.23 5.21 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.20 4.70 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 62 A 8.54 4.63 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 63 D 8.37 4.63 0.00 1.66 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 0.00 0.00 0.00 64 V 8.07 4.50 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 0.76 0.00 0.00 0.90 0.00 0.00 *68 G 8.12 3.60 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 0.00 *75 L 7.53 4.14 0.00 1.67 1.65 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.49 0.00 2.16 2.04 0.00 3.73 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 77 K 8.11 4.47 0.00 1.66 1.63 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.41 7.81 78 V 8.26 3.87 2.06 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 0.80 0.00 0.00 0.90 0.00 0.00 79 R 8.46 4.25 0.00 1.22 2.03 0.00 3.11 0.00 0.00 3.15 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.49 0.00 80 Y 7.05 5.01 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 81 T 8.65 5.14 4.29 0.00 0.00 0.00 0.00 0.00 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 82 Q 8.98 4.86 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 83 V 8.31 5.03 2.13 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 0.98 0.00 0.00 1.04 0.00 0.00 84 W 9.20 5.04 0.00 3.48 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 85 S 8.91 5.45 0.00 4.05 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 86 H 9.69 5.09 0.00 3.07 3.25 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.80 4.77 0.00 2.67 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 88 V 9.03 4.37 2.13 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 0.97 0.00 0.00 1.00 0.00 0.00 89 T 8.63 4.99 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 1.24 0.00 0.00 90 I 8.54 4.50 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.85 0.99 0.00 0.00 91 V 8.46 4.07 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 1.01 0.00 0.00 0.96 0.00 0.00 92 A 8.90 4.19 1.33 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 0.00 0.00 93 N 8.07 4.71 0.00 2.86 2.95 0.00 0.00 6.03 7.64 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 94 S 7.57 4.35 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 95 T 8.14 4.20 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 1.22 0.00 0.00 96 E 8.67 3.88 0.00 2.05 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 2.36 2.36 0.00 97 A 8.04 4.04 1.33 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 0.00 0.00 98 S 8.03 4.11 0.00 4.11 4.16 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 99 R 7.57 3.96 0.00 1.92 2.02 0.00 3.30 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 100 K 8.00 3.88 0.00 1.88 2.07 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.56 7.81 101 S 8.23 4.06 0.00 4.00 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 0.00 102 L 7.97 3.94 0.00 1.97 1.91 0.95 0.86 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 0.00 103 Y 8.53 3.98 0.00 3.08 3.18 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 0.00 104 D 8.75 4.23 0.00 2.86 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 0.00 105 L 8.13 4.00 0.00 1.68 1.70 0.96 0.57 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 0.00 106 T 7.82 3.92 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 1.21 0.00 0.00 107 K 7.84 3.68 0.00 1.23 1.65 0.00 1.40 0.00 0.00 1.44 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.24 7.81 108 S 7.95 4.00 0.00 3.99 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 0.00 109 L 7.99 3.97 0.00 1.74 1.92 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.90 3.83 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 0.66 0.00 0.00 1.00 0.00 0.00 111 A 7.75 4.12 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 0.00 112 T 7.22 4.06 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 1.30 0.00 0.00 113 S 8.66 4.21 0.00 4.08 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 0.00 114 Q 8.07 3.98 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 115 V 7.60 3.62 2.36 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 1.21 0.00 0.00 1.01 0.00 0.00 116 E 8.10 4.00 0.00 2.14 2.17 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 2.35 2.39 0.00 117 D 8.20 4.64 0.00 2.99 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.87 4.19 0.00 1.96 1.82 0.90 0.78 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 0.00 119 V 7.61 3.48 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 0.82 0.00 0.00 0.60 0.00 0.00 120 V 8.20 3.81 2.17 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 0.91 0.00 0.00 1.02 0.00 0.00 121 N 7.92 4.81 0.00 3.12 2.78 0.00 0.00 7.09 6.87 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 0.00 122 L 7.50 3.56 0.00 1.73 1.71 0.93 1.18 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 0.00 123 V 7.03 3.94 2.32 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 0.96 0.00 0.00 0.92 0.00 0.00 124 P 0.00 4.31 0.00 2.06 1.95 0.00 3.72 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 2.01 2.09 0.00 125 L 8.05 4.04 0.00 1.62 1.61 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 126 G 9.66 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 0.00 0.00 0.00 127 R 8.28 4.20 0.00 1.77 1.80 0.00 3.41 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 * Residues marked with a * may have inaccurate shift predictions.