NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.2165 7.8833 120.7927 61.0372 40.4075 177.6913 4 E 3.8529 8.0873 119.9465 58.2549 29.1198 177.4442 5 K 4.0060 8.1261 118.7204 59.0106 32.9781 177.9843 6 L 4.0774 7.8451 120.2782 58.1400 41.9680 178.6723 7 K 3.8422 8.1565 118.1226 59.6794 31.9140 178.8397 8 A 4.1241 7.7487 117.4017 53.7417 18.4135 177.9685 9 A 4.2287 7.8600 119.4391 53.0401 19.4268 178.1388 10 L 4.0139 7.2525 116.5224 54.0029 42.0832 175.6458 11 P 4.1687 0.0000 0.0000 62.0738 32.1413 176.1697 12 E 3.9520 8.2819 120.8179 59.5159 29.6528 177.7968 13 Y 4.4221 6.9675 114.1821 57.2150 38.0848 175.1443 14 A 4.7938 7.8517 121.7040 51.6101 20.3044 179.1469 15 K 3.8597 8.4992 122.7539 61.4242 32.0014 177.6165 16 D 4.3877 8.1477 118.4522 57.5253 40.6850 178.7925 17 I 3.6538 7.6998 119.4660 64.2744 37.1761 177.9148 18 K 3.8038 8.0237 120.3490 59.7878 31.8473 178.6316 19 L 3.9824 8.3753 119.2702 57.9792 41.5231 179.3079 20 N 4.3066 8.4491 116.6677 55.9926 38.2685 177.3615 21 L 3.8887 8.1759 122.0596 58.3033 42.0419 179.0842 22 S 4.1487 7.9645 113.8666 61.6133 62.9020 176.5751 23 S 4.2018 8.3096 115.8690 61.5120 61.9925 176.0622 24 I 3.6237 8.1129 121.6168 63.5557 37.7501 175.5716 25 T 4.0753 7.4368 113.7160 61.6822 67.8034 174.8028 26 R 4.6352 7.7523 117.7055 56.1058 34.6851 174.6407 27 S 4.0582 7.2653 111.4517 59.1199 62.5965 173.7784 28 S 4.6903 8.4022 118.5089 57.9000 63.1604 174.8500 29 V 3.7710 7.9434 119.9175 65.4202 31.4655 176.0108 30 L 4.8439 7.4788 117.2897 52.1330 44.7912 176.1440 31 D 4.7323 8.2884 121.2679 53.1923 41.7775 177.1338 32 Q 4.2635 8.5765 117.3192 58.1338 28.7574 178.2873 33 E 4.1783 8.4080 120.7286 59.1932 29.8572 178.2510 34 Q 4.2162 9.3498 118.5576 59.0796 28.8097 178.5102 35 L 3.8506 8.2726 121.2447 58.2788 42.2484 179.1951 36 W 3.9459 8.5243 118.7478 59.0538 28.9798 178.9126 37 G 2.8148 8.2809 106.3177 47.3256 0.0000 176.1639 38 T 3.9070 7.8468 117.9556 66.6436 68.5985 176.7861 39 L 3.8586 7.8058 120.9404 57.6021 41.4507 179.5675 40 L 3.8819 7.9301 119.9893 58.1058 42.0162 178.8423 41 A 3.8631 7.7314 120.7004 55.1077 18.1145 179.8606 42 S 3.9774 8.1248 113.4936 61.6472 62.7037 176.6466 43 A 3.9475 7.8324 121.9556 54.9950 18.4178 179.1619 44 A 4.0459 8.1834 119.1256 55.4929 18.3230 179.8345 45 A 4.0112 8.0430 118.0248 55.2735 18.4540 179.5618 46 T 3.9148 7.7709 107.2913 62.7857 68.9420 175.8118 47 R 3.8086 7.6244 118.6833 56.8265 28.7213 175.7795 48 N 4.6483 7.9706 118.3266 51.8221 39.6733 173.5435 49 P 4.2503 0.0000 0.0000 66.2093 31.3551 178.1818 50 Q 3.9448 7.9911 118.8764 58.8092 29.0232 178.1488 51 V 3.6089 7.7106 118.8880 65.7120 31.5599 177.6098 52 L 3.8995 7.8628 119.4849 58.0269 41.9953 178.7557 53 A 3.9803 8.0324 120.6211 55.4213 18.3728 179.4136 54 D 4.3276 8.1977 117.3333 57.5738 40.8158 179.1802 55 I 4.0214 8.1567 120.6646 64.2501 36.9028 178.6289 56 G 3.6207 8.3010 105.8278 47.7643 0.0000 175.2515 57 A 4.0949 8.0421 123.2267 54.9388 18.4897 179.4210 58 E 3.6569 8.1705 117.5296 59.0385 29.5882 178.5053 59 A 3.9482 8.1262 120.4905 53.9873 18.0780 179.4331 60 T 3.5795 7.4626 108.4810 64.7538 68.8535 175.8284 61 D 4.5107 7.2012 117.7494 55.4794 40.7431 176.3588 62 H 4.8568 7.4219 112.5621 54.7545 31.4641 173.3629 63 L 4.7711 8.4018 119.6817 52.6383 43.6576 177.1604 64 S 4.4755 8.4168 117.7273 57.3739 65.5232 175.2690 65 A 3.8751 8.4619 122.9388 55.4675 18.0915 179.7359 66 A 4.0602 8.0830 118.4052 55.0459 18.4127 179.6154 67 A 4.1407 8.0503 119.4748 55.4546 18.5359 179.4969 68 R 3.6960 7.9870 117.0723 60.2373 30.0015 178.4441 69 H 4.3170 8.2258 115.4015 58.7691 28.6722 177.7264 70 A 4.3108 8.3028 122.6109 54.9196 18.2642 179.6303 71 A 3.7695 8.4774 119.8435 55.4291 18.4979 179.9726 72 L 4.0790 8.1834 117.7707 57.7979 41.5517 180.0199 73 G 3.7986 8.7028 105.9058 47.2945 0.0000 175.8226 74 A 3.9733 8.0869 122.4286 54.9970 18.4325 179.2051 75 A 4.0547 7.6547 117.4856 55.1579 18.5433 179.4532 76 A 4.1777 7.7434 118.0825 55.1023 18.6855 182.2757 77 I 4.0494 7.8725 110.6561 60.9056 37.6656 176.8568 *79 G 3.7728 7.8760 106.5756 46.6724 0.0000 174.0300 *81 N 4.9600 8.0399 118.9482 53.2123 40.3724 176.6387 82 N 4.4381 8.1194 114.7022 55.5730 38.4931 177.3661 83 V 3.7237 7.6704 119.4655 65.3388 32.0052 177.4415 84 F 3.9132 8.0075 119.7535 61.6514 39.2441 176.5716 85 Y 3.7958 8.0266 116.4080 60.7662 37.6362 178.4515 86 R 3.5988 7.5011 119.9595 59.1191 29.9191 178.7122 87 G 3.4211 7.5671 104.2642 47.7966 0.0000 175.2185 88 R 3.8690 7.5834 121.6039 58.9284 29.8149 178.8124 89 G 3.5921 7.7965 104.5631 47.7417 0.0000 175.2823 90 F 4.8467 7.6638 118.6303 59.5000 39.1840 176.5423 91 L 4.5196 7.7493 118.6454 53.7683 41.7106 176.4620 92 E 3.6846 9.2966 116.1153 57.5423 27.3475 175.8786 93 G 4.0952 8.3679 103.9915 46.2187 0.0000 176.1952 94 R 4.1151 8.1384 118.4451 58.1859 29.9555 176.8739 95 Y 4.4748 7.9478 114.1731 57.5946 38.9052 176.9040 96 D 4.5847 8.0268 121.4538 56.5500 41.1447 178.3269 97 D 4.4119 8.1252 119.1289 55.9069 39.8895 178.2563 98 L 3.9225 7.5511 118.0509 55.3201 41.6924 178.1738 99 R 3.9020 7.5150 118.5845 55.5220 29.8878 173.6334 100 P 4.6241 0.0000 0.0000 62.5798 33.5172 176.5026 101 G 3.8137 8.2014 103.5161 45.9072 0.0000 172.4604 102 L 4.3695 7.4640 119.2085 52.7340 42.6479 176.8780 103 R 4.1954 8.3754 123.4615 56.6305 31.1786 177.3687 104 M 4.7162 8.1443 118.4118 52.1799 31.2865 176.3030 105 N 4.3125 8.3979 118.7508 57.5786 38.9523 176.3730 106 I 3.9595 7.7158 119.3522 63.6396 37.7907 177.9053 107 I 3.4704 7.3979 119.9924 64.2223 37.0513 177.8502 108 A 4.1715 7.8585 119.9120 53.5939 19.7528 177.4043 109 N 4.9229 8.1422 114.0419 51.0452 38.4405 172.7357 110 P 3.9799 0.0000 0.0000 63.2176 32.1316 178.8215 111 G 3.9701 9.6379 105.7055 45.0747 0.0000 172.2351 112 I 4.5890 7.1285 111.0713 58.0561 40.7422 172.5473 113 P 4.1439 0.0000 0.0000 63.4306 31.1637 177.2359 114 K 3.8784 8.9307 122.2234 59.4798 31.9626 178.9409 115 A 3.9264 7.8609 120.5719 55.1751 18.3359 179.2688 116 N 3.6887 7.9156 115.0013 55.9372 38.5370 177.4998 117 F 3.8549 7.6604 121.5687 61.1852 39.1803 176.9071 118 E 3.9810 8.1374 118.3538 59.2300 29.2701 179.0743 119 L 3.9415 7.4651 120.1872 57.8172 42.1085 179.0580 120 W 4.4828 7.8572 119.0439 59.6474 28.8973 178.8011 121 S 3.9868 7.9812 115.3535 61.1833 62.1355 176.3233 122 F 4.0892 8.2835 123.1672 61.2512 39.2814 176.7505 123 A 3.8323 8.0901 120.1586 55.4636 18.1324 179.8251 124 V 3.5268 7.8551 116.4037 66.2486 31.5737 178.4015 125 S 4.0624 8.3414 114.9412 61.2931 62.3387 176.5716 126 A 3.8497 7.4052 123.0337 54.9539 18.1494 179.4659 127 I 3.7550 7.2472 116.8717 64.7002 37.3184 178.2225 128 N 4.5205 8.2403 115.9966 53.7838 39.1691 175.1208 129 G 3.5538 8.2090 107.3216 47.0747 0.0000 174.7525 130 C 4.6150 7.5990 118.8824 57.0843 33.6146 172.7411 131 S 4.0975 8.5135 124.9008 61.5673 62.6681 175.5715 132 H 3.9708 8.1426 121.2891 59.5156 29.6048 176.9636 133 C 4.1477 8.0737 117.8922 62.4632 28.0598 175.6884 134 L 3.9784 8.2494 122.3973 58.3551 41.6171 179.5427 135 V 3.7626 8.3311 112.5594 63.9782 31.4335 178.2841 136 A 3.9183 8.0177 120.6299 55.7728 18.1798 179.5094 137 H 4.4175 8.3065 115.9951 58.4547 28.8204 177.7548 138 E 3.8428 8.4606 121.2771 59.2037 29.4217 178.5231 139 H 4.2042 8.5356 118.6488 59.6212 30.0230 177.0673 140 T 3.7934 8.0034 117.7294 67.2912 68.3370 175.7166 141 L 3.8943 8.2967 120.7094 58.0607 41.6246 179.5413 142 R 4.2880 8.1140 118.8018 59.2502 29.9647 179.4354 143 T 3.9449 8.2550 114.9817 66.1733 68.3982 176.0417 144 V 4.1530 7.5230 112.3396 61.0551 31.8018 177.1257 145 G 3.9017 7.8016 106.9945 45.0694 0.0000 174.3808 146 V 3.7386 7.6055 120.9068 62.2214 32.3563 175.2237 147 D 4.6478 8.4151 126.4349 52.4481 40.6415 177.3830 148 R 3.9247 8.5402 117.9170 59.7676 29.1568 178.8871 149 E 4.1413 8.2558 118.4623 58.7974 29.3797 178.9868 150 A 3.9291 8.7582 121.4160 55.2116 18.4220 179.5157 151 I 3.2974 7.5937 118.2958 64.5093 37.1935 178.3235 152 F 4.3008 8.6231 121.6958 61.3912 39.1012 176.5883 153 E 3.8731 8.3228 118.5668 59.3884 29.3209 178.7049 154 A 4.0395 7.9019 120.4385 54.9231 18.3283 179.4377 155 L 3.8445 7.8168 119.0125 58.2937 42.1845 179.2607 156 K 3.7039 7.7549 118.1488 59.2913 31.8673 179.1067 157 A 3.8504 8.2462 121.0126 55.0554 18.3153 179.3753 158 A 4.0897 8.4721 120.6789 54.7034 18.4424 179.7228 159 A 3.8710 8.1179 119.3168 55.3346 18.4643 179.8580 160 I 3.5963 8.0067 118.7149 64.6103 37.1619 178.8654 161 V 3.5906 7.9741 119.1557 66.0350 31.3153 178.2233 162 S 4.2095 8.0563 115.1994 61.5120 62.5740 176.9498 163 G 3.5949 8.1379 108.5247 47.5211 0.0000 175.9494 164 V 3.5569 7.8659 120.3891 65.7055 31.5559 177.7886 165 A 3.9636 8.0449 120.4513 55.3096 18.2516 179.2639 166 Q 3.8807 8.1394 117.5699 59.3757 28.9202 178.3060 167 A 4.1122 8.1154 120.6707 55.4091 18.4804 179.3042 168 L 4.0695 7.9855 116.1304 57.8790 41.7414 179.3719 169 A 4.1637 7.9823 120.2421 54.9271 18.3479 177.9854 170 T 4.1859 7.7943 112.2782 62.2991 69.1087 174.2465 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 I 7.88 4.22 2.19 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 1.03 0.00 0.00 4 E 8.09 3.85 0.00 2.10 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 2.41 2.37 0.00 5 K 8.13 4.01 0.00 1.75 1.83 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.49 7.81 6 L 7.85 4.08 0.00 1.82 1.86 0.99 0.84 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 7 K 8.16 3.84 0.00 1.99 1.87 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.61 7.81 8 A 7.75 4.12 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 9 A 7.86 4.23 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 10 L 7.25 4.01 0.00 1.69 1.56 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.17 0.00 0.74 1.13 0.00 3.52 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.92 0.00 12 E 8.28 3.95 0.00 1.94 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 2.36 2.34 0.00 13 Y 6.97 4.42 0.00 3.08 3.07 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 0.00 0.00 0.00 0.00 14 A 7.85 4.79 1.24 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 15 K 8.50 3.86 0.00 1.82 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.53 7.81 16 D 8.15 4.39 0.00 2.74 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 17 I 7.70 3.65 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.66 0.91 0.00 0.00 18 K 8.02 3.80 0.00 1.81 2.02 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.50 7.81 19 L 8.38 3.98 0.00 1.82 1.70 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.45 4.31 0.00 2.83 2.84 0.00 0.00 6.69 7.60 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 21 L 8.18 3.89 0.00 1.89 1.80 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.96 4.15 0.00 4.04 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 23 S 8.31 4.20 0.00 3.88 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 24 I 8.11 3.62 1.87 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 1.28 0.89 0.88 0.00 0.00 25 T 7.44 4.08 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 1.36 0.00 0.00 26 R 7.75 4.64 0.00 1.76 1.92 0.00 3.43 0.00 0.00 3.19 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 27 S 7.27 4.06 0.00 3.98 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 28 S 8.40 4.69 0.00 3.84 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 29 V 7.94 3.77 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 0.90 0.00 0.00 0.96 0.00 0.00 30 L 7.48 4.84 0.00 1.64 1.54 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.29 4.73 0.00 3.01 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 32 Q 8.58 4.26 0.00 2.27 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.97 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 33 E 8.41 4.18 0.00 2.19 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 0.00 2.76 2.69 0.00 34 Q 9.35 4.22 0.00 2.57 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 35 L 8.27 3.85 0.00 1.75 1.71 0.74 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.52 3.95 0.00 3.66 3.32 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 37 G 8.28 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 0.00 0.00 0.00 38 T 7.85 3.91 4.44 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 0.00 0.00 1.24 0.00 0.00 39 L 7.81 3.86 0.00 1.42 1.53 -0.34 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.93 3.88 0.00 1.80 1.46 0.90 0.75 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 41 A 7.73 3.86 1.18 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 0.00 0.00 42 S 8.12 3.98 0.00 4.04 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 43 A 7.83 3.95 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 44 A 8.18 4.05 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 45 A 8.04 4.01 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 46 T 7.77 3.91 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 1.27 0.00 0.00 47 R 7.62 3.81 0.00 1.99 2.11 0.00 3.20 0.00 0.00 3.32 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 48 N 7.97 4.65 0.00 2.85 2.70 0.00 0.00 6.94 7.85 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 49 P 0.00 4.25 0.00 2.30 2.30 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 50 Q 7.99 3.94 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 51 V 7.71 3.61 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 1.05 0.00 0.00 0.93 0.00 0.00 52 L 7.86 3.90 0.00 1.97 1.78 0.92 1.03 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 53 A 8.03 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 54 D 8.20 4.33 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 55 I 8.16 4.02 2.02 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.93 1.07 0.00 0.00 56 G 8.30 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 57 A 8.04 4.09 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 58 E 8.17 3.66 0.00 2.17 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 0.00 2.15 1.47 0.00 59 A 8.13 3.95 1.47 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 0.00 0.00 60 T 7.46 3.58 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 1.23 0.00 0.00 61 D 7.20 4.51 0.00 2.42 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 0.00 0.00 0.00 0.00 62 H 7.42 4.86 0.00 3.00 3.29 0.00 5.62 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 63 L 8.40 4.77 0.00 1.55 1.57 0.82 1.08 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 64 S 8.42 4.48 0.00 4.08 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 65 A 8.46 3.88 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 66 A 8.08 4.06 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 67 A 8.05 4.14 1.52 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 0.00 0.00 68 R 7.99 3.70 0.00 1.81 1.95 0.00 3.02 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 69 H 8.23 4.32 0.00 3.29 3.37 0.00 5.67 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 C 7.60 4.61 0.00 3.09 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 0.00 131 S 8.51 4.10 0.00 4.10 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 0.00 132 H 8.14 3.97 0.00 3.18 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 C 8.07 4.15 0.00 3.14 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 0.00 134 L 8.25 3.98 0.00 1.78 1.80 0.18 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.33 3.76 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 0.79 0.00 0.00 0.98 0.00 0.00 136 A 8.02 3.92 1.18 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 0.00 0.00 137 H 8.31 4.42 0.00 3.42 3.47 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.46 3.84 0.00 2.46 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 0.00 2.10 2.55 0.00 139 H 8.54 4.20 0.00 3.20 3.39 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 T 8.00 3.79 4.51 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 1.25 0.00 0.00 141 L 8.30 3.89 0.00 1.90 1.55 0.82 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 142 R 8.11 4.29 0.00 1.89 1.99 0.00 3.12 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 143 T 8.26 3.94 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 1.15 0.00 0.00 144 V 7.52 4.15 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 0.72 0.00 0.00 0.99 0.00 0.00 145 G 7.80 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 0.00 146 V 7.61 3.74 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 0.88 0.00 0.00 0.91 0.00 0.00 147 D 8.42 4.65 0.00 2.92 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 0.00 148 R 8.54 3.92 0.00 2.02 2.21 0.00 2.92 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 149 E 8.26 4.14 0.00 2.30 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 0.00 2.40 2.42 0.00 150 A 8.76 3.93 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 0.00 151 I 7.59 3.30 1.88 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.70 0.24 0.00 0.00 152 F 8.62 4.30 0.00 3.17 3.23 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 0.00 153 E 8.32 3.87 0.00 2.40 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 0.00 2.30 2.35 0.00 154 A 7.90 4.04 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 0.00 155 L 7.82 3.84 0.00 1.93 1.75 0.80 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 156 K 7.75 3.70 0.00 1.83 1.70 0.00 1.42 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.11 0.79 7.81 157 A 8.25 3.85 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 0.00 158 A 8.47 4.09 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 0.00 159 A 8.12 3.87 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 0.00 160 I 8.01 3.60 1.91 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 1.60 0.96 0.87 0.00 0.00 161 V 7.97 3.59 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 0.97 0.00 0.00 0.91 0.00 0.00 162 S 8.06 4.21 0.00 4.08 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 0.00 163 G 8.14 3.59 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 0.00 164 V 7.87 3.56 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 1.07 0.00 0.00 1.01 0.00 0.00 165 A 8.04 3.96 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 0.00 166 Q 8.14 3.88 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 167 A 8.12 4.11 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 0.00 168 L 7.99 4.07 0.00 1.89 1.75 0.96 0.72 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 0.00 169 A 7.98 4.16 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 T 7.79 4.19 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 1.34 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.