NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5255 8.3644 120.1905 53.7989 42.4516 178.5478 4 C 4.0542 8.6774 118.5617 57.8644 32.2838 167.6289 5 V 3.5446 8.7427 127.7895 66.3651 31.3919 177.3025 6 L 3.8299 7.8324 119.1981 58.1834 41.9254 178.5252 7 D 4.3405 7.9605 118.3823 57.2401 40.8991 178.6659 8 V 3.5692 7.7567 118.7250 66.3347 31.4632 177.9238 9 M 4.0723 8.2993 118.6781 58.8220 31.7172 178.4685 10 H 4.3001 8.5348 116.4024 58.8669 28.9379 177.7523 11 A 4.0306 8.1141 122.5861 55.2726 18.2322 179.8124 12 I 3.7095 7.8062 118.2833 64.4545 37.0575 177.9944 13 Y 3.9627 8.3742 120.7342 60.8022 38.7347 177.9375 14 Q 3.8990 8.4473 120.5831 59.4003 29.2421 178.3949 15 Q 3.9774 7.9535 118.5420 59.0126 28.7217 178.4393 16 N 4.3500 8.0633 117.5620 55.7381 38.5299 177.5355 17 K 3.7706 8.0722 123.9697 59.9992 32.2195 179.3262 18 E 3.8007 7.8820 118.4494 61.3462 29.6306 180.3013 19 H 4.2075 7.9960 119.0375 58.9189 29.8898 177.1081 20 F 4.1552 8.1012 122.3687 61.4654 39.2650 177.1517 21 Q 2.5247 7.4883 117.4548 58.5768 28.1909 178.5701 22 D 4.3877 7.9184 121.3604 56.6326 40.8949 178.4600 23 E 3.8373 8.0490 119.9503 59.2778 29.6286 178.7621 24 C 4.1526 7.9026 117.0636 62.8876 27.7798 176.0814 25 T 3.9434 8.1651 113.8069 65.4323 68.0938 176.8923 26 K 3.8932 7.9635 125.9737 59.4753 31.7534 180.1579 27 L 4.2824 7.6156 119.8274 57.4256 42.2935 178.2470 28 L 4.4230 7.9835 118.2678 55.1787 42.1414 177.2141 29 V 3.9428 7.5366 119.5683 64.5334 31.6016 175.6516 30 G 4.0433 9.1883 116.8692 45.1759 0.0000 173.1271 31 N 4.7506 8.1280 118.6257 53.4396 40.6508 173.7015 32 I 4.8621 8.6368 125.4412 60.0221 39.2871 175.3237 33 V 5.0055 9.1242 122.4655 60.2273 35.3100 175.1792 34 I 4.9980 8.9824 122.7005 58.9968 39.1892 175.7655 35 T 5.2499 8.5125 117.9067 58.5865 68.2829 175.9792 36 R 3.9346 8.9043 127.4178 58.8446 30.4440 178.9536 37 Y 4.3779 7.9799 115.4281 59.0838 38.0422 176.1738 38 N 4.8494 6.6035 111.0926 51.0903 38.7778 173.5612 39 N 4.0815 7.5316 114.9856 54.8112 36.9787 173.9966 40 R 4.5176 7.4352 114.9289 54.6892 33.2724 176.3129 41 T 4.9565 7.7823 116.0394 60.6352 69.9318 172.7921 42 Y 4.7687 8.7661 124.4944 56.4689 42.9204 173.9012 43 R 4.7879 8.5409 123.2341 55.6489 31.6791 175.5454 44 I 4.2700 8.9979 127.6561 61.2013 37.8495 176.1640 45 D 4.8189 8.9025 126.9816 55.7636 42.6064 175.6534 46 D 4.4432 7.3983 115.6717 53.6319 44.9486 174.2590 47 V 4.4053 8.1533 120.6144 60.8520 34.0333 174.2529 48 D 4.5886 8.8545 128.9450 52.8913 41.0841 176.8741 49 W 4.4361 8.7962 126.5309 58.6668 29.5206 177.2527 50 N 4.7828 8.2956 114.2141 53.2905 38.5439 174.9212 51 K 4.9653 7.6561 117.8556 54.9136 35.0473 174.7807 52 T 4.9171 8.4553 113.6287 59.3131 70.6380 173.1768 53 P 4.5405 0.0000 0.0000 64.9983 31.5587 178.9966 54 K 4.1254 8.0757 116.8726 59.1012 32.5012 177.0818 55 D 4.9120 8.6356 119.3411 54.2909 42.0824 175.6552 56 S 5.2117 8.6280 114.6742 56.6392 65.9700 173.1978 57 F 5.0178 8.1194 117.6641 55.9539 41.2934 174.3753 58 T 4.6548 8.5257 114.6664 60.9904 69.7959 175.2582 59 M 4.4829 8.9818 126.9499 52.9067 33.8733 177.1944 60 S 4.1160 8.7706 113.9731 61.6783 62.6425 175.0798 61 D 4.5598 7.9848 116.8971 52.7714 39.5872 176.8994 62 G 3.9470 7.9777 108.7178 44.7658 0.0000 174.0324 63 K 3.9971 7.9966 122.6264 56.6845 33.1452 175.3300 64 E 4.8256 8.5775 126.6778 55.1211 31.2958 175.3264 65 I 4.5497 7.5623 122.7713 59.2670 41.9275 174.9539 66 T 4.5441 8.3240 118.4054 60.9720 70.1068 175.5626 67 F 4.5618 8.8350 120.8532 60.5677 38.9001 178.0452 68 L 4.2599 8.1882 121.4999 58.8192 41.5155 180.1924 69 E 4.1006 8.2153 117.5729 60.9275 29.6292 180.2513 70 Y 4.1914 8.1573 119.8700 61.2527 38.9345 178.0950 71 Y 4.1710 8.5170 119.9887 61.4665 37.8519 179.1688 72 S 4.4241 8.2125 123.2208 63.5134 62.2821 180.0270 73 K 4.1837 8.1986 126.8908 59.2192 31.5107 180.1856 74 N 4.4112 7.6147 115.8657 54.3935 38.8411 175.5497 75 Y 4.6538 7.4476 114.1902 56.5189 39.9255 176.2149 76 G 3.8991 8.0321 107.3493 46.1260 0.0000 173.1617 77 I 4.2357 7.6607 120.5288 59.8389 38.3191 174.8614 78 T 4.5997 8.3071 122.3036 61.6670 69.1138 174.6380 79 V 3.8486 8.4569 129.9577 63.0890 31.8500 176.4863 80 K 4.0492 9.1333 129.9996 57.2943 31.7490 173.8815 81 E 4.4336 8.1508 122.7462 54.9338 28.2693 175.9954 82 E 4.2519 8.7349 124.5366 57.6957 29.8699 177.9736 83 D 5.0192 8.0193 116.0342 51.7173 41.3099 181.6130 84 Q 4.2422 7.7558 117.5918 56.3920 29.2442 174.3761 85 P 4.8850 0.0000 0.0000 61.8452 33.4344 174.6309 86 L 4.6626 7.9517 118.4961 52.9170 44.6710 176.0274 87 L 4.5314 8.6508 123.2490 53.7695 43.5611 175.5428 88 I 4.6839 8.7291 124.8399 59.8058 39.6794 174.0184 89 H 5.1778 9.0994 126.9281 54.4353 32.5756 172.5683 90 R 4.6280 9.7204 127.1029 54.0941 30.1150 175.1916 91 P 4.3555 0.0000 0.0000 63.0700 32.7613 177.5545 *93 E 4.2021 8.4352 106.7285 56.2262 30.7503 172.4164 94 R 4.3910 7.5540 118.5321 57.1617 31.0568 176.9672 95 Q 4.8655 7.7269 118.9248 54.2170 32.3483 173.9498 96 D 4.8282 8.4808 124.6798 51.6026 41.4532 176.8570 97 N 4.4208 8.5385 115.5986 55.7534 37.3077 175.4707 98 H 4.3631 8.3503 114.2696 55.8632 29.0300 176.0804 99 G 3.9193 8.1765 110.2166 46.0972 0.0000 174.6021 100 M 4.1763 8.3118 121.5777 54.3078 31.9742 181.4218 101 L 4.6119 8.4367 123.8776 53.7792 41.4269 174.7586 102 L 4.4255 9.3207 126.0523 55.0442 42.4214 177.6220 103 K 4.5824 7.7552 115.7109 54.2800 34.9627 176.3028 104 G 3.9437 8.3896 112.0559 44.2920 0.0000 172.7373 105 E 4.2295 8.3109 117.1295 56.1532 30.8590 176.2504 106 I 4.2379 8.8643 122.6891 60.0864 39.0107 174.5686 107 L 5.0255 8.3544 126.8206 52.9003 43.6673 175.8199 108 L 4.8750 8.6150 123.4429 52.7872 45.7225 175.3833 109 L 4.5067 8.1467 121.5320 52.8775 42.4170 175.9080 110 P 4.0649 0.0000 0.0000 65.6245 31.5620 178.1949 111 E 3.8032 8.3737 118.0893 58.4177 29.8674 177.0459 112 L 4.7043 7.9560 116.5128 54.5383 43.1180 176.2505 113 S 5.3076 7.2908 115.0165 56.7429 65.2890 173.7001 114 F 4.7375 9.0748 121.8634 55.6717 42.3439 174.4073 115 M 4.6501 8.9437 123.9540 55.7683 32.0587 176.2625 116 T 4.3297 8.9553 112.2971 61.1351 70.8937 173.6408 117 G 3.7247 8.5031 110.0276 45.0537 0.0000 174.4208 118 I 4.0494 8.0765 116.1117 59.9840 35.7008 171.2997 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 D 8.36 4.53 0.00 2.65 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 0.00 0.00 0.00 4 C 8.68 4.05 0.00 3.10 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 5 V 8.74 3.54 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 1.04 0.00 0.00 0.92 0.00 0.00 6 L 7.83 3.83 0.00 1.72 1.57 0.77 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.96 4.34 0.00 2.90 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 8 V 7.76 3.57 2.21 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 1.03 0.00 0.00 0.96 0.00 0.00 9 M 8.30 4.07 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.58 0.00 10 H 8.53 4.30 0.00 3.35 3.34 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.11 4.03 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 12 I 7.81 3.71 2.02 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 1.41 0.84 0.92 0.00 0.00 13 Y 8.37 3.96 0.00 3.17 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 14 Q 8.45 3.90 0.00 2.47 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 15 Q 7.95 3.98 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 16 N 8.06 4.35 0.00 2.80 2.71 0.00 0.00 6.64 7.07 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 17 K 8.07 3.77 0.00 1.27 1.72 0.00 1.69 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.33 7.81 18 E 7.88 3.80 0.00 2.05 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 2.25 2.19 0.00 19 H 8.00 4.21 0.00 3.33 3.49 0.00 5.75 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.10 4.16 0.00 3.05 3.13 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 21 Q 7.49 2.52 0.00 1.57 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.71 0.00 22 D 7.92 4.39 0.00 2.67 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 23 E 8.05 3.84 0.00 2.13 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 2.28 2.28 0.00 24 C 7.90 4.15 0.00 3.26 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 25 T 8.17 3.94 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 1.56 0.00 0.00 26 K 7.96 3.89 0.00 1.86 1.79 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.34 7.81 27 L 7.62 4.28 0.00 1.76 1.91 0.93 0.90 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 28 L 7.98 4.42 0.00 1.82 1.63 0.90 0.53 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 29 V 7.54 3.94 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 0.78 0.00 0.00 0.99 0.00 0.00 30 G 9.19 4.04 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 0.00 0.00 0.00 31 N 8.13 4.75 0.00 2.86 2.77 0.00 0.00 6.93 7.14 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 32 I 8.64 4.86 1.97 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 1.23 0.56 0.89 0.00 0.00 33 V 9.12 5.01 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 0.66 0.00 0.00 1.05 0.00 0.00 34 I 8.98 5.00 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 1.28 0.87 0.91 0.00 0.00 35 T 8.51 5.25 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 1.32 0.00 0.00 36 R 8.90 3.93 0.00 1.88 1.91 0.00 2.21 0.00 0.00 2.72 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.24 0.00 37 Y 7.98 4.38 0.00 2.93 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 38 N 6.60 4.85 0.00 2.73 2.86 0.00 0.00 7.10 7.92 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 39 N 7.53 4.08 0.00 2.81 2.83 0.00 0.00 6.81 7.33 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 40 R 7.44 4.52 0.00 1.83 1.38 0.00 2.94 0.00 0.00 2.86 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.66 0.00 41 T 7.78 4.96 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 1.06 0.00 0.00 42 Y 8.77 4.77 0.00 2.84 2.49 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 0.00 43 R 8.54 4.79 0.00 1.85 1.89 0.00 3.25 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 44 I 9.00 4.27 2.04 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.39 0.89 0.00 0.00 45 D 8.90 4.82 0.00 2.61 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 46 D 7.40 4.44 0.00 2.63 2.39 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 47 V 8.15 4.41 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 -0.43 0.00 0.00 0.72 0.00 0.00 48 D 8.85 4.59 0.00 2.60 2.42 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 49 W 8.80 4.44 0.00 3.32 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 50 N 8.30 4.78 0.00 2.92 2.91 0.00 0.00 6.79 7.62 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 51 K 7.66 4.97 0.00 1.72 1.61 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.48 7.81 52 T 8.46 4.92 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 1.37 0.00 0.00 53 P 0.00 4.54 0.00 2.28 2.18 0.00 3.86 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 2.23 2.00 0.00 54 K 8.08 4.13 0.00 2.08 1.94 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.03 7.81 55 D 8.64 4.91 0.00 3.03 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.63 5.21 0.00 3.69 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 0.00 57 F 8.12 5.02 0.00 2.95 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 58 T 8.53 4.65 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 59 M 8.98 4.48 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 60 S 8.77 4.12 0.00 3.98 4.04 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 61 D 7.98 4.56 0.00 2.79 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.98 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 0.00 0.00 0.00 63 K 8.00 4.00 0.00 1.83 1.63 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.36 7.81 64 E 8.58 4.83 0.00 2.05 1.71 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 2.25 1.86 0.00 65 I 7.56 4.55 1.57 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 1.28 1.48 -0.04 0.00 0.00 66 T 8.32 4.54 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 1.25 0.00 0.00 67 F 8.84 4.56 0.00 3.53 3.49 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 0.00 68 L 8.19 4.26 0.00 1.75 1.83 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.22 4.10 0.00 2.00 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 2.24 2.18 0.00 70 Y 8.16 4.19 0.00 3.22 3.28 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 71 Y 8.52 4.17 0.00 3.28 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 72 S 8.21 4.42 0.00 3.78 3.87 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 73 K 8.20 4.18 0.00 1.81 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.35 7.81 74 N 7.61 4.41 0.00 1.65 1.58 0.00 0.00 6.83 6.83 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 75 Y 7.45 4.65 0.00 3.00 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 76 G 8.03 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 77 I 7.66 4.24 1.94 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.36 0.85 0.00 0.00 78 T 8.31 4.60 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 79 V 8.46 3.85 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 0.76 0.00 0.00 0.90 0.00 0.00 80 K 9.13 4.05 0.00 1.84 1.70 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.28 7.81 81 E 8.15 4.43 0.00 2.05 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 2.29 2.40 0.00 82 E 8.73 4.25 0.00 1.99 2.03 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 2.34 2.32 0.00 83 D 8.02 5.02 0.00 2.67 2.52 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 84 Q 7.76 4.24 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.23 0.00 85 P 0.00 4.89 0.00 1.37 1.77 0.00 3.23 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.95 0.00 86 L 7.95 4.66 0.00 1.37 1.28 0.23 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.65 4.53 0.00 1.41 1.45 0.81 0.47 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 88 I 8.73 4.68 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.60 0.89 0.00 0.00 89 H 9.10 5.18 0.00 3.08 2.99 0.00 5.57 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 9.72 4.63 0.00 1.68 1.83 0.00 3.19 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 91 P 0.00 4.36 0.00 2.21 2.08 0.00 3.74 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 1.98 2.00 0.00 *93 E 8.44 4.20 0.00 2.04 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 2.13 1.88 0.00 94 R 7.55 4.39 0.00 2.15 2.19 0.00 2.85 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 95 Q 7.73 4.87 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.89 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 96 D 8.48 4.83 0.00 2.91 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 97 N 8.54 4.42 0.00 2.80 2.98 0.00 0.00 5.98 7.90 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 98 H 8.35 4.36 0.00 3.42 3.41 0.00 5.94 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.18 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 0.00 0.00 0.00 100 M 8.31 4.18 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.35 0.00 101 L 8.44 4.61 0.00 1.66 1.52 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 102 L 9.32 4.43 0.00 1.57 1.75 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 103 K 7.76 4.58 0.00 1.70 1.68 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.40 7.81 104 G 8.39 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 0.00 0.00 0.00 0.00 105 E 8.31 4.23 0.00 2.10 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 2.24 2.29 0.00 106 I 8.86 4.24 1.80 0.00 0.00 1.00 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 0.74 0.37 0.00 0.00 107 L 8.35 5.03 0.00 1.46 1.40 0.98 0.91 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 0.00 108 L 8.61 4.87 0.00 1.44 1.47 0.72 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.15 4.51 0.00 1.34 1.54 0.48 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.06 0.00 2.05 1.99 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 111 E 8.37 3.80 0.00 1.95 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 0.00 2.25 2.22 0.00 112 L 7.96 4.70 0.00 1.72 1.92 0.15 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 113 S 7.29 5.31 0.00 3.62 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 0.00 114 F 9.07 4.74 0.00 2.97 2.93 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 0.00 115 M 8.94 4.65 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.69 0.00 116 T 8.96 4.33 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 1.28 0.00 0.00 117 G 8.50 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 0.00 118 I 8.08 4.05 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 1.27 0.79 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.