NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.2457 0.0000 0.0000 62.5099 33.5910 174.4268 2 H 5.0220 7.9791 124.1815 54.0025 31.9751 172.2345 3 F 5.6028 9.1908 124.7148 55.7081 42.9878 173.4881 4 L 4.3951 8.2020 123.6850 53.4895 44.0923 175.2626 5 I 4.7449 8.3511 127.3401 59.7114 39.3381 174.1594 6 L 5.0199 8.9410 130.8603 53.3871 44.1373 174.6500 7 N 5.4413 9.0917 124.4190 51.7611 41.4042 175.3139 8 G 4.2270 9.0040 114.1284 43.5998 0.0000 171.1026 9 P 4.4897 0.0000 0.0000 64.0135 31.9874 176.7896 10 N 4.3445 9.1065 115.9479 53.9626 37.9582 176.7375 11 V 3.6392 7.4184 118.6214 65.4429 31.7608 177.5925 12 N 4.3850 8.0500 116.0146 55.1065 36.9223 175.6030 13 R 4.1769 7.8066 117.2240 55.7097 30.6107 175.6353 14 L 3.7611 7.5011 119.3883 56.2690 41.4846 175.1190 15 G 3.6071 8.8960 117.4633 44.9286 0.0000 175.1469 16 S 4.0811 7.3902 118.6590 59.9830 63.0197 174.1447 17 R 4.4193 7.8789 117.8185 56.0364 32.4227 177.6284 18 E 4.5057 7.7968 108.4981 58.5242 25.7041 171.7521 19 P 4.8777 0.0000 0.0000 63.9619 32.4236 179.0389 20 E 3.7990 8.3334 116.5345 58.9370 29.6528 178.8674 21 V 3.6871 7.7043 117.8855 63.2998 31.8697 176.1849 22 F 4.8738 7.6984 116.0181 56.3005 40.7931 176.6075 23 G 4.1299 9.2696 109.3919 46.7248 0.0000 174.7867 24 R 4.5805 8.2450 116.5874 55.5456 30.1269 177.7332 25 Q 4.4004 7.7776 115.9180 57.0491 29.7585 175.9969 26 T 4.7901 8.6635 112.1953 59.5766 72.1420 175.5188 27 L 3.8986 8.1241 121.2533 58.3781 41.9684 178.6879 28 T 3.7162 7.7410 115.2854 66.5886 68.4561 175.8406 29 D 4.3168 8.3013 121.0918 57.6291 40.8965 179.0010 30 I 3.6215 7.6140 119.8799 64.5135 37.0244 178.3603 31 E 3.2390 7.9345 119.1197 59.3117 29.2728 179.3820 32 T 3.7716 7.7685 115.7357 66.8484 68.5618 176.2651 33 D 4.3994 8.0093 120.4679 57.3801 40.7704 178.8782 34 L 4.2462 8.2227 121.9016 58.4635 41.6778 179.9076 *35 F 4.2387 8.3708 120.6828 62.5283 37.8761 179.5137 36 Q 4.3611 8.0953 118.3177 58.5273 28.4868 178.6991 37 F 4.1922 8.5052 121.7086 61.1213 39.5746 177.1886 38 A 3.8024 8.8215 121.2262 55.1392 18.2142 179.1660 39 E 3.8635 8.6478 117.3637 59.8756 29.3695 179.7255 40 A 3.9936 7.8068 119.1169 54.1583 18.4763 178.6043 41 L 4.1073 7.1345 114.9516 53.7149 43.0118 175.9381 42 H 4.1065 7.7962 115.0322 56.7059 26.0757 173.9059 43 I 4.7037 7.6134 110.5688 59.4232 41.4003 176.0322 44 Q 4.7116 8.5036 121.6311 54.3592 31.3435 174.7891 45 L 5.3222 8.3045 120.4788 53.3388 45.7342 175.9442 46 T 4.6975 8.5488 118.3697 61.7945 71.9013 172.9287 47 F 5.1990 8.8110 123.6870 55.9405 41.5757 175.0619 48 F 5.0970 8.9965 124.2838 57.0579 43.0523 172.6693 49 Q 4.8662 8.0716 126.3008 54.3854 31.4335 173.9901 50 S 4.5393 8.4143 118.8556 57.1677 66.1161 174.1910 51 N 4.5946 8.9213 120.5062 54.1215 39.3123 174.8131 52 H 4.7604 8.2309 117.4264 53.9510 30.5315 175.2187 53 E 3.9770 9.1427 125.3288 59.6618 29.3965 179.2325 54 G 3.7177 8.1799 104.8885 48.0480 0.0000 175.1660 55 D 4.5082 8.2501 120.9272 57.0598 40.8838 178.8617 56 L 4.1250 7.9231 119.2073 57.8350 41.7245 179.3317 57 I 3.6760 7.9078 119.7861 64.3866 37.0405 178.2090 58 D 4.2767 8.2354 119.4510 57.4173 40.8263 178.7819 59 A 3.9919 8.2272 121.3012 55.1288 18.6480 179.8208 60 I 3.7535 7.7938 118.4471 64.7495 36.9506 178.3177 61 H 4.2287 8.1145 116.1220 59.0881 28.6282 177.4865 62 E 4.1534 8.3175 119.1926 58.3825 29.2145 179.0573 63 A 4.1543 8.0127 121.3576 55.1095 17.9216 178.8066 64 E 3.8849 7.6043 116.1399 59.1769 29.3142 178.1669 65 E 4.5629 7.3889 114.6667 56.1053 29.8823 176.1822 66 Q 4.0410 7.6034 117.9262 56.0647 31.7033 174.0401 67 Y 4.9646 7.9414 113.7611 56.3015 40.7614 175.2571 68 S 4.8039 8.6499 114.4301 57.7897 63.9856 174.0456 69 G 4.2192 7.6746 106.5240 46.3709 0.0000 172.4658 70 I 5.1224 8.1459 121.0199 59.2224 41.5534 174.8373 71 V 4.5000 8.8757 126.7059 61.3133 33.3558 174.0132 72 L 5.0119 8.7786 131.3304 53.4098 44.4510 174.5702 73 N 5.1866 9.2944 126.3676 50.5619 39.5885 172.6776 74 P 4.4971 0.0000 0.0000 61.8709 32.5941 177.9457 75 G 4.2217 8.2200 108.7958 45.7899 0.0000 174.1865 76 A 4.3100 8.4954 119.4575 54.2272 18.3262 179.6693 77 L 3.3151 7.6062 117.1217 56.8713 41.4813 178.9693 78 S 3.9614 7.6194 113.8050 61.8651 61.9711 175.9291 79 H 4.7489 8.0122 115.9998 57.3876 28.7216 175.6747 80 Y 4.5681 7.4227 112.5728 55.5952 40.5693 176.2176 81 S 4.2529 7.7535 117.1432 57.4050 60.9522 173.3954 82 Y 4.2119 8.0096 125.0026 59.9045 37.9450 177.4164 83 A 4.0326 8.0250 121.7946 55.4107 18.6289 179.5861 84 I 3.6855 7.9677 118.4834 64.1806 37.1599 178.5774 85 R 3.8866 7.8498 119.5389 59.8372 29.7390 178.4458 86 D 4.4349 8.0790 116.7315 56.9454 41.1163 178.3365 87 A 4.2433 8.0219 121.5539 55.2654 18.5665 179.7566 88 V 3.5869 7.7987 116.6746 66.4372 31.4034 178.4489 89 S 4.2964 7.9492 113.3426 60.7326 62.7073 175.7035 90 S 4.5922 7.6196 114.7725 57.5200 63.4204 173.4559 91 I 4.8141 7.2656 114.6644 58.4752 39.9799 175.5098 92 S 4.5561 9.0372 114.7372 58.7862 63.7414 174.7479 93 L 4.4562 7.6487 121.3347 53.7573 42.6212 174.9206 94 P 4.4956 0.0000 0.0000 62.8977 32.7455 175.0513 95 V 4.9512 8.5212 123.2604 60.9552 34.6879 173.8580 96 V 4.6907 8.4652 127.3999 61.0758 34.1094 173.7818 97 E 4.8786 8.9198 129.1690 55.2438 31.2277 174.9211 98 V 4.9095 8.5385 125.4213 61.5180 34.8757 173.7355 99 H 4.7812 8.6954 123.2368 54.2678 32.8038 174.4115 100 L 4.1108 8.7547 122.9733 57.8393 42.5511 177.9704 101 S 4.5773 8.0214 111.1870 57.5730 64.2406 173.8822 102 N 4.5106 8.1522 119.9210 52.0177 37.4651 175.0585 103 L 3.8055 7.9081 125.5109 57.5589 41.9795 179.4894 104 Y 3.8405 7.2790 114.3878 60.0885 37.7626 176.7079 105 A 4.5060 7.6552 120.5051 52.0919 20.1632 177.5730 106 R 4.7042 7.3933 116.6334 54.8269 31.5458 175.8964 107 E 4.0056 8.3353 120.0456 57.3233 30.3322 177.6725 108 E 3.3271 8.5789 122.3432 58.8690 29.9398 178.9888 109 F 4.3150 7.9638 112.5572 59.0902 38.0754 175.8589 110 R 3.4884 6.9918 119.1375 56.5114 29.8137 176.4136 111 H 4.8291 7.8663 114.9244 55.6432 29.2225 175.0096 112 Q 4.6649 7.7023 117.8129 54.1715 31.3702 173.7835 113 S 4.8881 8.6353 114.9063 56.9029 63.8409 174.2477 114 V 4.0393 8.8303 120.7759 62.3502 32.1294 177.1473 115 I 4.0526 7.5799 120.4514 63.0956 38.1532 177.6579 116 A 4.0285 8.1415 123.4067 54.7238 18.3030 177.7265 117 P 4.3335 0.0000 0.0000 65.0332 31.4157 177.3377 118 V 4.1621 7.6218 108.5187 60.9120 32.6079 175.6393 119 A 4.4781 7.4042 122.8357 50.6660 19.7368 177.7984 120 K 4.1053 8.9322 119.2655 58.5584 32.3907 177.9319 121 G 3.8455 7.1260 103.9216 46.0382 0.0000 170.7059 122 Q 4.9689 8.2710 118.6164 54.7223 32.6418 174.8561 123 I 4.5784 8.5470 124.9375 59.4846 40.3154 174.6956 124 V 4.6389 8.3097 126.2265 62.1953 34.1792 175.8453 125 G 3.9183 8.6550 114.1717 45.8043 0.0000 173.6258 126 L 4.3261 7.8368 118.3105 53.8137 41.9838 178.3457 127 G 3.9066 7.9312 110.1842 45.0203 0.0000 174.3063 128 A 4.2250 8.5279 118.7973 55.1037 18.0539 179.3541 129 E 3.9871 8.4148 117.5490 59.0980 29.4771 178.7897 130 G 3.6235 8.3819 106.4506 48.0668 0.0000 175.1207 131 Y 4.0956 7.7278 118.2926 60.9477 37.8754 179.0382 132 K 3.7046 7.9263 118.7973 59.2033 32.0556 179.3121 133 L 3.9954 8.1134 119.2222 57.8169 41.5768 179.4755 134 A 4.0341 8.2333 120.8267 55.0551 18.2634 179.8536 135 V 3.4583 8.1386 117.1514 66.1624 31.5777 178.5515 136 R 4.0326 8.4868 118.1331 59.2631 29.6923 178.2504 137 Y 4.0716 7.9979 118.4252 60.8821 39.2193 177.9594 138 L 3.7422 7.8591 119.6517 57.7068 41.3353 179.6026 139 L 4.2350 7.6041 118.4778 57.4714 41.7059 179.0600 140 S 4.2712 7.8706 112.6516 60.1093 63.2317 174.8011 141 Q 4.1262 7.2905 126.2484 56.0889 28.7244 175.1924 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 P 0.00 4.25 0.00 1.60 1.78 0.00 3.37 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 2 H 7.98 5.02 0.00 3.13 3.13 0.00 5.55 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.19 5.60 0.00 3.02 2.79 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 0.00 0.00 0.00 4 L 8.20 4.40 0.00 0.72 1.16 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.35 4.74 1.53 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.56 1.03 0.00 0.00 6 L 8.94 5.02 0.00 1.71 1.56 0.97 1.10 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 7 N 9.09 5.44 0.00 2.65 2.69 0.00 0.00 6.42 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 8 G 9.00 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 9 P 0.00 4.49 0.00 2.19 2.20 0.00 4.03 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 10 N 9.11 4.34 0.00 2.95 2.95 0.00 0.00 6.66 7.79 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 11 V 7.42 3.64 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 1.06 0.00 0.00 0.95 0.00 0.00 12 N 8.05 4.39 0.00 2.81 3.02 0.00 0.00 6.02 7.66 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 13 R 7.81 4.18 0.00 1.90 1.89 0.00 3.27 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 14 L 7.50 3.76 0.00 1.79 1.60 0.76 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.90 3.61 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 0.00 0.00 0.00 16 S 7.39 4.08 0.00 3.79 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 17 R 7.88 4.42 0.00 1.88 1.94 0.00 3.38 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.76 0.00 18 E 7.80 4.51 0.00 1.98 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 2.28 1.89 0.00 19 P 0.00 4.88 0.00 2.20 2.16 0.00 3.88 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 2.13 2.07 0.00 20 E 8.33 3.80 0.00 2.13 2.18 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 2.33 2.35 0.00 21 V 7.70 3.69 1.48 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 -0.16 0.00 0.00 0.71 0.00 0.00 22 F 7.70 4.87 0.00 3.19 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 23 G 9.27 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 0.00 0.00 0.00 0.00 24 R 8.24 4.58 0.00 1.83 1.81 0.00 3.27 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 25 Q 7.78 4.40 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 26 T 8.66 4.79 4.19 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 1.18 0.00 0.00 27 L 8.12 3.90 0.00 1.84 1.63 0.82 0.68 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 28 T 7.74 3.72 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 1.14 0.00 0.00 29 D 8.30 4.32 0.00 2.77 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 30 I 7.61 3.62 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.73 0.65 0.00 0.00 31 E 7.93 3.24 0.00 1.73 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 1.47 1.90 0.00 32 T 7.77 3.77 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 1.23 0.00 0.00 33 D 8.01 4.40 0.00 2.85 2.72 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 34 L 8.22 4.25 0.00 2.08 2.09 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 *35 F 8.37 4.24 0.00 2.27 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 0.00 0.00 0.00 0.00 36 Q 8.10 4.36 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 37 F 8.51 4.19 0.00 3.31 3.33 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 38 A 8.82 3.80 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 39 E 8.65 3.86 0.00 2.19 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 2.22 0.00 40 A 7.81 3.99 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 41 L 7.13 4.11 0.00 1.41 1.54 0.72 0.82 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 42 H 7.80 4.11 0.00 3.28 3.35 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.61 4.70 1.84 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.62 0.94 0.00 0.00 44 Q 8.50 4.71 0.00 1.64 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 45 L 8.30 5.32 0.00 1.35 1.04 1.17 0.98 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 46 T 8.55 4.70 4.19 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 1.31 0.00 0.00 47 F 8.81 5.20 0.00 2.97 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 48 F 9.00 5.10 0.00 3.10 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 49 Q 8.07 4.87 0.00 1.93 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.17 0.00 50 S 8.41 4.54 0.00 3.59 3.51 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 51 N 8.92 4.59 0.00 2.72 2.79 0.00 0.00 6.90 8.16 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 52 H 8.23 4.76 0.00 3.32 3.24 0.00 5.64 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 53 E 9.14 3.98 0.00 1.97 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 2.36 2.32 0.00 54 G 8.18 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 55 D 8.25 4.51 0.00 3.03 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 56 L 7.92 4.12 0.00 1.81 1.75 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.91 3.68 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 1.50 0.73 0.76 0.00 0.00 58 D 8.24 4.28 0.00 2.92 2.70 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 59 A 8.23 3.99 1.38 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 0.00 0.00 0.00 60 I 7.79 3.75 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 1.55 0.97 0.97 0.00 0.00 61 H 8.11 4.23 0.00 3.25 3.35 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.32 4.15 0.00 2.11 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 2.32 2.37 0.00 63 A 8.01 4.15 1.59 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 64 E 7.60 3.88 0.00 2.18 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 0.00 2.33 2.44 0.00 65 E 7.39 4.56 0.00 1.98 1.88 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 2.25 2.20 0.00 66 Q 7.60 4.04 0.00 1.59 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.72 0.00 67 Y 7.94 4.96 0.00 3.00 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 68 S 8.65 4.80 0.00 3.99 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 69 G 7.67 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 70 I 8.15 5.12 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.83 0.96 0.00 0.00 71 V 8.88 4.50 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 1.09 0.00 0.00 0.91 0.00 0.00 72 L 8.78 5.01 0.00 1.77 1.46 0.99 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.29 5.19 0.00 2.75 2.96 0.00 0.00 6.78 7.21 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 74 P 0.00 4.50 0.00 2.18 2.20 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.90 0.00 75 G 8.22 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 76 A 8.50 4.31 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 0.00 0.00 0.00 0.00 0.00 77 L 7.61 3.32 0.00 1.67 1.41 0.83 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.62 3.96 0.00 3.90 3.48 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 79 H 8.01 4.75 0.00 3.53 3.66 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.42 4.57 0.00 2.88 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 81 S 7.75 4.25 0.00 3.51 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 82 Y 8.01 4.21 0.00 3.15 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 83 A 8.03 4.03 1.34 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 0.00 0.00 84 I 7.97 3.69 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.49 0.89 0.00 0.00 85 R 7.85 3.89 0.00 1.96 2.26 0.00 3.46 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 86 D 8.08 4.43 0.00 2.87 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 87 A 8.02 4.24 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 88 V 7.80 3.59 2.24 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 1.05 0.00 0.00 0.95 0.00 0.00 89 S 7.95 4.30 0.00 4.12 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 90 S 7.62 4.59 0.00 4.03 4.19 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 91 I 7.27 4.81 2.08 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 1.16 1.36 1.08 0.00 0.00 92 S 9.04 4.56 0.00 4.01 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 93 L 7.65 4.46 0.00 1.62 1.72 1.13 1.16 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 94 P 0.00 4.50 0.00 2.18 2.25 0.00 3.80 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 2.11 1.99 0.00 95 V 8.52 4.95 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 1.09 0.00 0.00 0.99 0.00 0.00 96 V 8.47 4.69 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 0.89 0.00 0.00 0.95 0.00 0.00 97 E 8.92 4.88 0.00 2.05 1.75 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 2.17 2.29 0.00 98 V 8.54 4.91 1.69 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 0.41 0.00 0.00 0.75 0.00 0.00 99 H 8.70 4.78 0.00 2.99 3.06 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.75 4.11 0.00 1.76 1.78 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.02 4.58 0.00 3.75 3.80 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 0.00 102 N 8.15 4.51 0.00 2.70 2.69 0.00 0.00 6.87 6.66 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 0.00 103 L 7.91 3.81 0.00 1.05 1.45 0.58 0.74 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 0.00 104 Y 7.28 3.84 0.00 3.03 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 0.00 105 A 7.66 4.51 1.29 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 0.00 0.00 0.00 106 R 7.39 4.70 0.00 1.73 1.67 0.00 2.98 0.00 0.00 3.08 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 107 E 8.34 4.01 0.00 1.41 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 2.49 2.34 0.00 108 E 8.58 3.33 0.00 1.87 1.88 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 2.32 2.19 0.00 109 F 7.96 4.32 0.00 3.11 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 0.00 110 R 6.99 3.49 0.00 1.49 1.62 0.00 2.83 0.00 0.00 3.05 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 111 H 7.87 4.83 0.00 3.17 3.47 0.00 5.61 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.70 4.66 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 113 S 8.64 4.89 0.00 3.85 3.82 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 0.00 114 V 8.83 4.04 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 0.44 0.00 0.00 0.61 0.00 0.00 115 I 7.58 4.05 1.85 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 1.31 0.59 0.90 0.00 0.00 116 A 8.14 4.03 1.36 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 0.00 0.00 0.00 117 P 0.00 4.33 0.00 2.09 2.18 0.00 3.83 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 2.09 2.16 0.00 118 V 7.62 4.16 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 0.71 0.00 0.00 1.04 0.00 0.00 119 A 7.40 4.48 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 0.00 120 K 8.93 4.11 0.00 1.98 1.91 0.00 2.05 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.71 7.81 121 G 7.13 3.85 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 0.00 0.00 0.00 122 Q 8.27 4.97 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.56 0.00 123 I 8.55 4.58 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.81 0.86 0.00 0.00 124 V 8.31 4.64 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 0.55 0.00 0.00 0.88 0.00 0.00 125 G 8.65 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 0.00 126 L 7.84 4.33 0.00 1.60 1.66 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 127 G 7.93 3.91 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 0.00 0.00 0.00 128 A 8.53 4.22 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 0.00 129 E 8.41 3.99 0.00 2.07 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 2.36 2.40 0.00 130 G 8.38 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 0.00 0.00 0.00 131 Y 7.73 4.10 0.00 3.24 2.99 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 0.00 132 K 7.93 3.70 0.00 1.66 1.07 0.00 1.51 0.00 0.00 1.14 0.00 0.00 2.72 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 1.13 7.81 133 L 8.11 4.00 0.00 1.82 1.72 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.23 4.03 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 0.00 135 V 8.14 3.46 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 1.35 0.00 0.00 1.13 0.00 0.00 136 R 8.49 4.03 0.00 2.17 2.06 0.00 3.31 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.15 0.00 137 Y 8.00 4.07 0.00 2.95 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 0.00 138 L 7.86 3.74 0.00 1.66 0.87 0.91 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.60 4.23 0.00 1.72 1.79 1.17 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 7.87 4.27 0.00 3.97 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 0.00 141 Q 7.29 4.13 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.58 0.00 0.00 0.00 0.00 0.00 1.37 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.