NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3802 8.4449 116.7463 55.5854 32.2928 176.3893 4 K 3.2849 7.5954 118.2708 55.5158 32.7154 175.4303 5 Y 4.2928 9.6736 128.5276 56.4073 39.6302 173.4733 6 I 4.0434 7.5876 127.4039 60.0613 38.5525 175.5073 7 V 4.0896 7.8359 127.4331 61.2084 32.8202 175.5809 8 T 4.1848 8.1182 118.1463 60.0916 70.6480 175.6924 9 W 4.3502 8.5953 121.8386 60.2297 29.0885 178.4178 10 D 4.4374 8.2596 118.2309 57.6688 40.3350 178.4758 11 M 3.9748 7.7672 117.5592 58.3576 32.1845 177.9539 12 L 4.0325 8.1152 120.6266 58.2943 42.2981 178.7160 13 Q 4.0284 8.3876 119.4972 59.3563 28.9078 178.3674 14 I 3.7358 7.7149 120.5430 64.6697 37.1005 178.2087 15 H 4.2852 8.2530 116.9072 58.7736 28.5298 177.7127 16 A 4.0303 8.3012 122.7949 55.2632 18.1738 179.9584 17 R 3.9939 8.2275 119.1273 59.7382 29.8667 180.0425 18 K 4.0187 7.6144 122.7027 59.6747 31.8849 181.4001 19 L 4.2585 7.9790 121.5448 57.7251 41.9949 178.9014 20 A 3.9926 8.1766 121.0971 55.2746 18.1848 179.8357 21 S 4.1454 7.8852 111.2110 61.3309 63.0126 176.1590 22 R 4.1455 7.5993 121.1293 58.1201 29.9677 177.1657 23 L 4.6585 7.6055 116.6257 54.2299 42.3252 176.7257 24 M 4.4689 7.3833 119.0155 54.5168 32.5617 174.4018 25 P 4.5129 0.0000 0.0000 62.1278 32.5149 177.7443 26 S 4.4158 8.7575 116.3358 61.4455 62.6475 175.9661 27 E 3.8915 8.3289 119.0485 59.3988 29.1665 178.0572 28 Q 3.8313 7.3436 114.3565 56.9078 28.7411 175.9312 29 W 5.1442 7.7098 119.3664 55.1643 31.2649 175.9045 30 K 4.0271 8.9277 122.0933 58.4570 32.7266 176.7071 31 G 4.0485 6.5263 104.4814 46.1847 0.0000 171.9505 32 I 5.2296 8.4228 119.7313 59.4359 41.1214 175.3000 33 I 4.8269 8.9715 126.8169 59.5146 39.7125 174.4073 34 A 4.8319 8.8166 130.4632 50.7280 20.6578 176.1897 35 V 4.0572 8.5711 123.4025 62.4546 32.7181 175.1079 36 S 4.6232 8.6202 123.8128 58.1947 62.6862 174.0444 37 R 4.3230 8.7012 124.4676 56.7393 31.4385 178.4850 38 G 3.8679 7.8462 106.0180 47.7831 0.0000 174.5523 39 G 3.8422 8.5546 107.4240 46.1546 0.0000 175.5256 40 L 3.8633 7.9381 121.2683 57.8441 41.6229 179.5802 41 V 3.6127 7.3060 117.4534 65.6411 31.6956 176.1346 42 P 4.4818 0.0000 0.0000 65.3764 31.0678 178.8585 43 G 3.5681 8.4416 104.7493 47.7914 0.0000 175.6275 44 A 4.0113 8.1529 123.5797 54.7497 18.3517 179.7770 45 L 3.9781 8.1093 117.5007 57.9666 41.6395 179.7298 46 L 3.9772 8.1013 118.7253 57.6023 41.5169 179.2332 47 A 3.9762 8.2797 121.0915 55.2356 17.8460 179.7632 48 R 3.8046 8.0194 116.9485 59.7733 30.0363 178.6646 49 E 4.0405 8.1766 116.9903 58.6575 29.5295 178.3322 50 L 4.5930 8.1291 116.4602 53.3473 42.1869 176.6128 51 G 3.9385 7.5564 106.2175 46.4753 0.0000 173.7319 52 I 4.2472 7.6814 120.8587 59.9802 37.7369 176.3787 53 R 4.1964 8.5255 124.2584 57.4460 30.9755 176.1082 54 H 4.5758 8.0565 118.2113 55.1512 29.9442 173.1921 55 V 4.8922 8.1827 124.4102 60.9365 33.9346 173.6036 56 D 5.2003 9.3466 127.0809 52.6034 45.1886 173.7354 57 T 5.3125 8.2772 108.9691 59.8038 72.5222 173.6367 58 V 4.4866 8.3975 121.0400 60.2965 34.5208 174.1740 59 C 4.9634 9.5288 124.4867 57.8122 29.7323 173.0582 60 I 4.5950 8.0090 116.4794 58.7608 40.0112 176.1071 *73 V 3.9872 8.0509 121.3603 62.7938 31.1435 174.7205 74 L 4.1509 8.8613 126.3093 57.0939 42.1294 177.7792 75 K 4.7008 7.5749 116.9372 55.4476 35.4550 174.5937 76 R 5.0536 8.3614 121.3213 54.4257 32.4269 174.5212 77 A 4.2155 8.3556 124.1796 51.7313 19.0852 177.3901 78 E 3.9713 8.6783 120.7642 57.3084 30.3338 177.6270 79 G 3.9012 8.5378 108.7546 45.2346 0.0000 173.5009 80 D 4.7941 8.5645 118.0407 52.9298 39.6789 177.4995 81 G 4.0152 8.5245 106.5181 46.0656 0.0000 173.2355 82 E 4.3021 8.2018 121.4109 57.6114 29.8918 177.2930 83 G 3.9855 9.3013 114.2022 45.4130 0.0000 172.1144 84 F 5.2957 8.5090 118.6355 55.8754 42.2200 174.6217 85 I 4.6804 8.2936 122.1883 59.6749 39.2660 174.7183 86 V 4.6896 8.6984 127.6611 61.1954 33.5553 174.2844 87 I 5.8328 8.6398 127.1563 58.3318 41.6012 173.3562 88 D 5.4135 8.6932 126.7927 52.5113 45.1727 175.5772 89 D 4.6965 8.8827 120.2540 55.7142 40.8331 176.0063 90 L 5.4486 8.1627 118.0572 52.4386 46.0088 176.2879 91 V 4.3015 8.3361 122.1735 59.6514 33.5442 173.3987 92 D 4.8699 8.8966 131.3799 55.0780 40.9107 179.1310 93 T 4.4019 8.2010 111.4954 58.8153 70.3421 171.2898 *96 T 4.4207 8.3244 118.3144 60.6911 71.0481 176.2539 97 A 4.3143 8.2038 123.4471 55.3514 18.1914 179.6725 98 V 3.6069 7.8220 115.8810 65.9642 31.7684 177.9371 99 A 3.9662 7.8735 120.0762 55.1614 18.2370 179.5114 100 I 3.5661 8.0524 118.6213 64.6013 36.6928 178.3651 101 R 3.9545 7.9188 119.7245 59.3615 29.5520 177.6394 102 E 4.2434 7.9093 115.1968 57.9179 30.2334 177.7542 103 M 3.9365 7.6249 118.9613 57.0690 33.9898 175.8147 104 Y 4.7846 7.9317 115.9938 55.3327 38.1023 174.4945 105 P 4.5294 0.0000 0.0000 64.4158 31.9429 178.2195 106 K 4.4604 8.1883 116.4284 56.0468 32.2719 175.8114 107 A 4.9598 7.8851 121.2643 51.2972 20.6390 177.4343 108 H 4.8434 9.0328 120.5912 55.1303 31.0235 173.9590 109 F 5.4043 9.5605 130.5427 57.6533 40.4578 174.9166 110 V 5.5306 9.5820 119.1989 58.8263 36.2556 174.5896 111 T 5.5617 7.9365 110.9896 59.5926 72.5683 174.8482 112 I 3.6537 8.5624 122.2672 64.1033 37.9096 176.0854 113 F 5.4869 8.2799 119.7617 55.9175 42.3626 174.5351 114 A 4.4850 8.7619 121.9994 50.5919 22.4799 175.8723 115 K 4.9955 8.4707 121.4885 54.2389 34.1677 176.2498 116 P 4.0836 0.0000 0.0000 66.0620 31.1156 178.7758 117 A 4.2232 8.3031 117.7590 54.3000 18.4525 179.0330 118 G 4.2429 8.2226 105.2600 45.2085 0.0000 176.0733 119 R 3.7094 7.2768 119.8531 58.7787 29.9956 176.5082 120 P 4.5604 0.0000 0.0000 63.9994 31.8031 176.8375 121 L 4.2766 7.9237 119.0368 56.0991 42.0237 177.0648 122 V 4.1811 6.8075 110.0625 59.3174 33.9320 175.5392 123 D 4.6206 8.7623 122.1168 56.9045 41.4417 176.1561 124 D 4.6034 7.7906 115.3103 53.9728 44.4615 173.7919 125 Y 5.6585 7.8797 119.9233 57.2529 40.5585 174.1098 126 V 4.0051 8.4424 118.6511 63.9763 33.2244 175.8352 127 V 4.5217 8.3491 120.5169 61.0859 34.1257 173.9699 128 D 5.3609 8.8981 127.7655 53.1993 42.1256 175.7840 129 I 4.4978 8.3149 117.0902 57.9739 40.9422 173.7455 130 P 4.4963 0.0000 0.0000 62.5977 31.8833 177.1875 131 Q 3.9092 8.6429 122.0618 58.9976 29.0082 176.9523 132 D 4.6528 7.8634 114.2682 53.1679 40.0791 176.4902 133 T 3.7204 7.5648 117.7012 64.4388 68.9149 173.5844 134 W 4.7664 8.7344 135.0000 56.0754 31.2860 173.5923 135 I 4.8402 8.2388 126.5350 59.2134 39.4700 173.9152 136 E 4.5177 8.7357 129.7915 54.4230 32.1557 175.2178 137 Q 4.0008 8.0965 125.7223 53.7838 29.8948 175.1709 138 P 3.6934 0.0000 0.0000 64.6831 31.1724 178.1877 139 W 4.4723 6.5273 114.6981 58.2384 28.4822 176.3403 140 D 4.7514 7.4952 117.7310 54.4583 40.7428 175.2856 141 M 4.7613 6.9416 119.2529 54.0966 34.9979 174.4765 142 G 3.9408 7.7646 106.8472 45.8414 0.0000 172.9389 143 V 4.0083 8.4165 119.8609 61.8007 31.7368 175.5857 144 V 4.6172 7.9274 119.3475 58.8893 35.5723 175.1560 145 F 4.0868 8.8442 123.8785 58.4290 39.6326 174.6462 146 V 4.0107 7.0893 126.5712 59.8971 33.2285 173.1908 147 P 4.1153 0.0000 0.0000 62.1177 31.7260 174.6484 148 P 4.4301 0.0000 0.0000 62.4276 32.0543 176.5427 149 I 3.7637 8.3406 120.4692 63.7436 37.2519 176.6072 150 S 4.7427 7.8430 112.9807 56.5131 63.9947 173.6063 151 G 3.9300 8.4757 114.1020 45.4250 0.0000 173.7023 152 R 4.0407 7.7366 125.4992 56.5642 29.9738 175.9949 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 E 8.44 4.38 0.00 2.01 1.94 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 2.13 1.91 0.00 4 K 7.60 3.28 0.00 1.14 1.22 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.30 0.21 7.81 5 Y 9.67 4.29 0.00 2.89 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 6 I 7.59 4.04 1.58 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.71 0.65 0.00 0.00 7 V 7.84 4.09 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 0.86 0.00 0.00 0.60 0.00 0.00 8 T 8.12 4.18 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 1.10 0.00 0.00 9 W 8.60 4.35 0.00 3.43 3.26 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 10 D 8.26 4.44 0.00 2.72 2.75 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 0.00 0.00 0.00 11 M 7.77 3.97 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 12 L 8.12 4.03 0.00 1.86 1.98 1.10 1.04 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 13 Q 8.39 4.03 0.00 2.40 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 14 I 7.71 3.74 1.91 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 1.52 1.38 0.89 0.00 0.00 15 H 8.25 4.29 0.00 3.26 3.18 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 16 A 8.30 4.03 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 17 R 8.23 3.99 0.00 2.04 2.00 0.00 3.15 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 18 K 7.61 4.02 0.00 1.83 1.73 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 19 L 7.98 4.26 0.00 1.74 1.86 0.88 1.02 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 20 A 8.18 3.99 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 21 S 7.89 4.15 0.00 4.07 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 22 R 7.60 4.15 0.00 2.02 2.02 0.00 3.43 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 23 L 7.61 4.66 0.00 1.88 1.88 0.74 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 24 M 7.38 4.47 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.74 0.00 25 P 0.00 4.51 0.00 2.10 1.93 0.00 3.51 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 26 S 8.76 4.42 0.00 3.95 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 27 E 8.33 3.89 0.00 1.90 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 2.37 0.00 28 Q 7.34 3.83 0.00 1.48 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.63 0.00 0.00 0.00 0.00 0.00 1.93 1.16 0.00 29 W 7.71 5.14 0.00 3.30 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 30 K 8.93 4.03 0.00 0.79 1.29 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.20 7.81 31 G 6.53 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 32 I 8.42 5.23 1.89 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 1.11 0.68 0.92 0.00 0.00 33 I 8.97 4.83 1.50 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.47 0.52 0.00 0.00 34 A 8.82 4.83 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 35 V 8.57 4.06 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 0.99 0.00 0.00 0.96 0.00 0.00 36 S 8.62 4.62 0.00 3.91 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 37 R 8.70 4.32 0.00 1.81 1.76 0.00 3.16 0.00 0.00 3.32 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 38 G 7.85 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 0.00 0.00 0.00 39 G 8.55 3.84 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 0.00 0.00 0.00 40 L 7.94 3.86 0.00 1.57 1.62 0.82 0.48 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 41 V 7.31 3.61 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 1.50 0.00 0.00 1.02 0.00 0.00 42 P 0.00 4.48 0.00 2.25 2.16 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 43 G 8.44 3.57 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 0.00 0.00 0.00 44 A 8.15 4.01 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 45 L 8.11 3.98 0.00 1.92 1.77 1.07 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.10 3.98 0.00 1.85 1.66 0.83 0.68 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 47 A 8.28 3.98 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 48 R 8.02 3.80 0.00 1.88 2.09 0.00 3.27 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 49 E 8.18 4.04 0.00 2.00 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 2.56 2.51 0.00 50 L 8.13 4.59 0.00 1.69 1.77 0.87 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.56 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 52 I 7.68 4.25 1.89 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 1.36 0.85 0.97 0.00 0.00 53 R 8.53 4.20 0.00 1.82 1.99 0.00 3.20 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 54 H 8.06 4.58 0.00 3.29 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.18 4.89 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 0.84 0.00 0.00 0.95 0.00 0.00 56 D 9.35 5.20 0.00 2.71 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 57 T 8.28 5.31 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 58 V 8.40 4.49 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 0.78 0.00 0.00 1.03 0.00 0.00 59 C 9.53 4.96 0.00 2.82 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 60 I 8.01 4.60 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 1.31 0.67 0.91 0.00 0.00 *73 V 8.05 3.99 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 74 L 8.86 4.15 0.00 1.66 1.71 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.57 4.70 0.00 1.75 1.58 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.35 7.81 76 R 8.36 5.05 0.00 1.86 1.83 0.00 2.97 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 77 A 8.36 4.22 1.16 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 0.00 0.00 78 E 8.68 3.97 0.00 1.98 1.94 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 2.33 2.32 0.00 79 G 8.54 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 80 D 8.56 4.79 0.00 2.93 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 81 G 8.52 4.02 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 0.00 0.00 0.00 82 E 8.20 4.30 0.00 2.13 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 2.39 2.34 0.00 83 G 9.30 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 0.00 0.00 0.00 84 F 8.51 5.30 0.00 3.05 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 85 I 8.29 4.68 1.59 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.66 0.00 0.00 86 V 8.70 4.69 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 0.80 0.00 0.00 0.61 0.00 0.00 87 I 8.64 5.83 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 1.14 1.39 0.91 0.00 0.00 88 D 8.69 5.41 0.00 3.05 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 89 D 8.88 4.70 0.00 3.19 3.38 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 90 L 8.16 5.45 0.00 1.79 1.61 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.34 4.30 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 0.54 0.00 0.00 0.87 0.00 0.00 92 D 8.90 4.87 0.00 2.62 2.27 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 93 T 8.20 4.40 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 *96 T 8.32 4.42 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 97 A 8.20 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 98 V 7.82 3.61 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 1.06 0.00 0.00 0.97 0.00 0.00 99 A 7.87 3.97 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 0.00 100 I 8.05 3.57 1.56 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 1.47 0.51 0.23 0.00 0.00 101 R 7.92 3.95 0.00 2.28 2.12 0.00 3.36 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 102 E 7.91 4.24 0.00 2.16 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 0.00 2.36 2.22 0.00 103 M 7.62 3.94 0.00 1.19 2.08 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.10 0.00 104 Y 7.93 4.78 0.00 2.90 2.78 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 0.00 105 P 0.00 4.53 0.00 2.20 2.20 0.00 3.51 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 106 K 8.19 4.46 0.00 2.10 1.96 0.00 1.90 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.42 7.81 107 A 7.89 4.96 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 0.00 108 H 9.03 4.84 0.00 3.56 3.19 0.00 5.77 0.00 0.00 0.00 0.00 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.56 5.40 0.00 3.11 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 0.00 110 V 9.58 5.53 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 0.37 0.00 0.00 0.97 0.00 0.00 111 T 7.94 5.56 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 1.06 0.00 0.00 112 I 8.56 3.65 1.75 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 0.81 -0.02 0.00 0.00 113 F 8.28 5.49 0.00 2.98 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 0.00 114 A 8.76 4.48 0.25 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 0.00 115 K 8.47 5.00 0.00 1.65 1.84 0.00 2.07 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.67 1.23 7.81 116 P 0.00 4.08 0.00 2.11 2.09 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 117 A 8.30 4.22 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 0.00 118 G 8.22 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 0.00 119 R 7.28 3.71 0.00 1.96 2.03 0.00 3.14 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.51 0.00 120 P 0.00 4.56 0.00 2.19 2.18 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 121 L 7.92 4.28 0.00 1.74 1.85 0.99 1.19 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 0.00 122 V 6.81 4.18 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 -0.21 0.00 0.00 0.86 0.00 0.00 123 D 8.76 4.62 0.00 2.50 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.79 4.60 0.00 2.73 2.40 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 0.00 125 Y 7.88 5.66 0.00 2.90 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 0.00 126 V 8.44 4.01 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 0.71 0.00 0.00 0.89 0.00 0.00 127 V 8.35 4.52 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 1.22 0.00 0.00 0.65 0.00 0.00 128 D 8.90 5.36 0.00 2.71 2.64 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 0.00 129 I 8.31 4.50 1.50 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 1.15 0.61 0.43 0.00 0.00 130 P 0.00 4.50 0.00 2.13 1.98 0.00 3.42 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 2.05 2.03 0.00 131 Q 8.64 3.91 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 132 D 7.86 4.65 0.00 2.79 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 0.00 133 T 7.56 3.72 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 0.95 0.00 0.00 134 W 8.73 4.77 0.00 3.37 3.01 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 0.00 0.00 0.00 135 I 8.24 4.84 1.76 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.06 0.83 0.00 0.00 136 E 8.74 4.52 0.00 1.77 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 1.96 2.06 0.00 137 Q 8.10 4.00 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.67 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 138 P 0.00 3.69 0.00 0.49 1.49 0.00 2.46 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.21 0.00 139 W 6.53 4.47 0.00 3.47 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 D 7.50 4.75 0.00 2.67 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 0.00 141 M 6.94 4.76 0.00 1.83 1.80 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.29 0.00 142 G 7.76 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 0.00 143 V 8.42 4.01 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 0.86 0.00 0.00 0.97 0.00 0.00 144 V 7.93 4.62 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 0.80 0.00 0.00 0.95 0.00 0.00 145 F 8.84 4.09 0.00 2.99 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 0.00 146 V 7.09 4.01 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 0.75 0.00 0.00 0.88 0.00 0.00 147 P 0.00 4.12 0.00 2.06 2.08 0.00 3.62 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 2.09 2.33 0.00 148 P 0.00 4.43 0.00 2.28 2.04 0.00 3.86 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 2.11 2.04 0.00 149 I 8.34 3.76 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 0.90 0.00 0.00 150 S 7.84 4.74 0.00 3.80 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 0.00 151 G 8.48 3.93 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 0.00 152 R 7.74 4.04 0.00 1.82 1.84 0.00 3.30 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 1.65 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.