NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4836 8.1927 115.4230 57.9416 64.5427 174.3989 3 Q 3.8354 8.4898 122.1968 57.0024 28.8097 176.5273 4 S 4.4354 8.8171 115.5345 60.2192 64.0993 175.4992 5 N 4.4786 7.8859 119.8722 56.1310 38.2472 177.2572 6 R 3.9993 7.9081 120.5695 59.2433 30.1705 178.1566 7 E 3.8892 8.1675 119.1849 59.3293 29.6603 178.6659 8 L 3.9127 8.0951 119.1436 57.8562 41.6519 179.7937 9 V 4.0264 8.1128 118.0822 66.1716 31.4537 178.3578 10 V 3.8029 7.9721 118.0699 65.9837 31.3890 177.4101 11 D 4.3286 8.2882 117.9069 57.4729 41.0745 178.1285 12 F 4.2706 8.4372 121.1453 61.2615 39.3356 177.2675 13 L 4.1639 8.5850 118.8202 57.8106 41.3888 179.5630 14 S 4.4371 8.7927 115.5522 61.8600 62.7837 176.1087 15 Y 4.1011 8.2062 122.2384 60.6549 38.4343 178.2612 16 K 3.6775 7.9573 119.4808 59.0192 32.1242 179.3312 17 L 4.0871 8.2111 119.6984 57.9308 41.6183 179.2891 18 S 4.4313 8.2334 114.4697 61.0037 62.0837 175.9653 19 Q 3.8699 7.7017 120.7842 58.3949 28.5979 177.6748 20 K 4.3893 7.2954 115.4965 55.4963 32.4021 176.7227 21 G 3.6162 8.3412 107.0861 46.1671 0.0000 172.9279 22 Y 4.9443 7.7488 117.6427 55.7256 40.8928 174.2463 23 S 4.9749 8.1888 114.1021 56.2911 66.4493 173.7858 24 W 4.0890 9.0406 130.0943 60.0800 30.6536 175.5604 25 S 4.6121 8.4872 111.2030 56.4093 65.5083 174.7430 26 Q 3.8972 8.3011 118.8260 58.4017 28.0374 177.1960 27 F 5.1425 7.6964 114.4822 57.1770 40.4411 174.5429 28 S 4.6330 8.0715 114.8913 58.9197 63.2383 174.5991 29 D 4.5709 8.0422 123.0460 53.6702 40.1641 175.9716 *73 S 4.2613 8.0509 117.9245 57.2877 64.2350 174.0454 74 S 4.1739 8.4476 116.1526 58.8648 62.9924 174.5876 75 L 4.2743 8.4435 124.9279 54.8743 42.8159 176.9458 76 D 4.4989 8.5781 124.4478 57.4226 41.0244 177.8026 77 A 4.1070 7.5314 120.8511 51.9305 19.0838 175.8885 78 R 4.9697 7.9124 117.7971 54.1473 31.0337 174.1179 79 E 4.9217 7.5169 116.8522 55.9677 31.4197 176.0003 80 V 4.5581 8.0858 125.0795 61.1353 32.8294 176.5202 81 I 4.4491 8.6482 122.0756 62.5128 40.0280 173.4491 82 P 4.8525 0.0000 0.0000 60.9687 33.2089 175.4333 83 M 3.8081 8.8758 120.7939 59.1729 31.6205 178.4377 84 A 3.9517 7.9176 119.8356 55.0512 18.6489 179.3266 85 A 3.9584 7.8513 119.4643 55.0926 18.4016 180.0757 86 V 3.6466 7.6706 116.4963 66.0729 31.6346 178.3243 87 K 3.8437 8.0691 118.3793 59.2067 31.8259 179.2597 88 Q 3.7918 7.8291 119.4883 59.0194 29.0274 177.7412 89 A 4.0257 7.9118 121.8167 55.2729 18.4143 179.4212 90 L 4.0518 8.2976 118.7424 58.2561 42.0438 179.0092 91 R 4.0913 7.9761 118.1411 59.6555 30.0319 178.8174 92 E 4.0471 8.2781 117.6021 59.5833 29.5151 179.4481 93 A 4.5724 8.5378 120.9484 55.0452 18.4101 179.9991 94 G 4.0371 8.6706 104.6221 48.1560 0.0000 175.8537 95 D 4.5879 8.7565 121.6844 57.2258 40.7751 178.5838 96 E 4.0419 8.9052 119.5029 59.4512 29.6605 179.0177 97 F 4.1126 8.9206 121.0164 61.6621 39.2897 176.9121 98 E 4.2200 8.5573 117.2560 59.2448 29.5278 178.4408 99 L 4.1272 7.9800 118.3581 57.0696 41.6861 178.6270 100 R 4.0882 7.4391 117.7480 56.7912 30.3805 175.8134 101 Y 4.5396 6.9293 117.0387 55.0705 37.7389 176.2681 102 R 3.7526 8.0883 119.8751 59.1749 29.3286 178.5387 103 R 3.9487 6.6873 115.5684 52.8682 30.5918 178.3535 104 A 3.6710 7.9960 125.4394 53.2595 18.2030 178.4596 105 F 4.8988 7.5409 110.2313 56.2769 41.8225 175.9588 106 S 4.2137 8.5075 116.9623 62.0625 62.0246 175.5003 107 D 4.4277 8.2694 120.4100 57.8809 40.5857 179.1676 108 L 3.9566 7.8214 118.1342 58.0698 41.7066 179.6901 109 T 4.0951 9.7242 115.4706 67.0660 68.3242 177.0380 110 S 4.3539 8.2209 115.5206 61.5404 62.8079 176.6919 111 Q 4.1552 7.7020 120.0232 58.6561 28.5523 177.9904 112 L 4.0416 8.0688 120.3134 57.4936 43.6744 176.5285 113 H 3.9947 8.4184 115.2010 56.9128 28.3319 173.7915 114 I 3.8379 7.4216 119.9962 61.1738 39.1469 174.5390 115 T 4.7196 8.7795 116.7195 58.8929 71.8091 172.7646 116 P 4.3425 0.0000 0.0000 64.8273 31.2641 177.8997 117 G 3.8489 7.8410 106.1775 47.0164 0.0000 174.6665 118 T 3.9337 7.7327 116.8619 63.5690 68.9687 173.7503 119 A 4.7424 8.1305 128.0389 50.3544 21.7022 176.8023 120 Y 2.7214 8.3256 120.1335 60.8872 38.3768 179.0988 121 Q 3.8209 7.7740 118.1278 58.7706 28.8878 178.6680 122 S 3.9976 7.5470 116.3614 61.3390 62.7652 176.4702 123 F 4.0453 7.5497 122.8570 61.1841 39.1715 176.4796 124 E 3.8752 7.8951 119.3165 59.2563 29.0934 178.5550 125 Q 3.8653 7.8792 118.6549 59.1986 29.2732 178.1828 126 V 3.5826 7.5021 119.0551 65.9680 31.5910 178.1111 127 V 3.1301 7.4959 118.0694 65.8315 31.0619 177.3956 128 N 4.5049 8.0879 117.5730 55.9675 38.3842 177.1369 129 E 3.9135 7.8515 119.6087 59.0630 29.2517 179.0781 130 L 3.7366 7.4142 119.8503 57.3158 42.1558 177.8700 131 F 4.6657 7.4001 116.9234 57.2406 39.2846 178.0926 132 R 3.8264 7.7307 118.8234 59.0827 29.2570 176.8457 133 D 4.4987 7.8932 115.3816 53.7438 41.1378 175.1357 134 G 3.7785 8.0280 103.9197 44.9354 0.0000 173.1547 135 V 4.0271 7.4230 117.9889 61.4491 32.7947 174.7195 136 N 4.2156 7.3500 122.0017 50.6534 41.1782 175.5485 137 W 4.6168 8.9143 120.0111 59.7559 29.1286 178.9540 138 G 3.9823 8.7156 105.3300 47.9670 0.0000 175.4618 139 A 3.9257 8.6834 123.2841 54.6932 18.3821 179.5282 140 I 3.9431 7.8686 118.5256 64.8901 37.2244 178.6964 141 V 3.6325 8.1162 118.4982 65.9546 31.3876 177.8064 142 A 3.0570 8.0411 120.4828 54.7382 18.2027 179.0594 143 F 3.8676 8.6446 119.4066 61.6673 39.3840 177.1969 144 F 3.5024 8.3425 116.9785 60.7785 38.5687 178.0554 145 S 4.5883 8.2225 114.6200 61.2593 62.5105 176.2688 146 F 3.3965 8.3252 124.0788 61.0023 38.8754 177.1430 147 G 3.5745 7.6317 105.0790 47.8130 0.0000 175.3762 148 G 3.8610 8.6267 108.8877 47.6210 0.0000 175.4840 149 A 4.0785 8.3677 123.7175 54.7624 18.4155 179.7418 150 L 3.8039 7.8730 117.6732 57.8927 41.4929 179.3701 151 C 3.8321 8.0654 116.8332 62.6959 28.0681 175.9514 152 V 3.4362 7.8619 119.7347 66.2604 31.0960 177.4789 153 E 3.8679 8.1805 118.6035 59.5459 29.4191 179.0686 154 S 3.9609 7.9543 114.8665 61.4865 62.7950 176.7765 155 V 3.2303 7.5362 121.0147 66.0234 30.9404 177.6542 156 D 4.2358 7.5740 116.1605 56.4616 41.0222 177.1669 157 K 4.3144 7.6335 117.3089 55.1147 32.5872 176.1753 158 E 3.7184 8.2136 117.5710 58.3513 27.7975 174.5500 159 M 4.7210 8.0792 113.3350 53.7806 33.1063 177.7852 160 Q 3.7401 7.9884 120.8765 59.5779 28.9552 177.7557 161 V 3.5789 7.5854 112.4110 63.8975 31.4387 178.0986 162 L 3.8204 7.7434 119.0764 56.9750 41.3152 179.1680 163 V 3.1323 7.0396 118.1037 66.1433 31.4048 178.1143 164 S 4.1417 7.4670 111.3734 60.5565 62.2149 176.1934 165 R 3.3140 6.8230 121.2751 58.9510 29.6504 178.6727 166 I 2.8273 7.4199 119.6916 64.0065 37.0680 177.9385 167 A 3.9979 7.8224 121.9016 55.5322 18.0840 179.6505 168 S 4.0661 7.6504 110.6215 61.4049 62.5042 176.3223 169 W 4.6118 8.0722 121.8107 60.2177 28.6477 178.5049 170 M 4.6601 8.6317 118.8262 58.5725 31.3807 178.6422 171 A 4.1836 8.3390 120.9560 55.4476 18.4522 179.8283 172 T 3.8010 8.3580 114.3795 66.9094 68.6427 176.0509 173 Y 4.2345 8.9501 123.0434 60.0610 38.8322 177.7734 174 L 4.0450 8.6063 121.4142 58.4502 41.9792 178.7097 175 N 4.3568 8.2225 114.7936 56.5094 38.5934 176.9635 176 D 4.3394 8.5954 119.3819 57.2423 41.0476 177.7677 177 H 4.3462 8.0968 114.8104 57.4468 29.7658 176.8893 178 L 4.1123 7.3305 119.4266 56.4184 42.0838 178.3993 179 E 3.9691 8.3810 119.2521 59.2280 29.4889 177.5760 180 P 4.1796 0.0000 0.0000 65.4501 31.3500 178.0256 181 W 4.0267 8.1965 126.3354 60.8507 30.3499 177.8829 182 I 3.4633 7.8528 119.3475 64.2735 36.2438 178.5657 183 Q 3.9579 8.2007 118.7225 58.9061 28.5614 178.3100 184 E 4.0197 8.1128 118.6148 58.6321 29.3077 177.3691 185 N 4.3720 7.5920 116.4831 52.7240 39.7519 175.8011 186 G 3.8144 6.7236 106.4335 45.8630 0.0000 175.8477 187 G 4.0277 8.3085 110.9635 44.3041 0.0000 174.9739 188 W 4.2642 8.6917 116.9088 59.6617 28.9302 177.8885 189 D 4.4945 8.5317 117.8174 58.0452 40.1075 178.6223 190 T 4.0371 7.8777 116.0727 66.1663 68.4880 176.4631 191 F 3.3293 7.6287 122.1954 61.2197 39.2644 177.0934 192 V 3.4823 7.9896 117.5462 66.2507 30.9692 177.7530 193 D 4.4149 7.3433 116.4547 57.1625 40.7232 178.3789 194 L 4.0575 7.5667 118.5780 56.8661 41.7378 177.3160 195 Y 4.5295 7.6170 112.3145 57.0389 39.7703 175.7200 196 G 3.7107 8.3325 115.0340 45.6960 0.0000 173.7867 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 2 S 8.19 4.48 0.00 4.07 4.12 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 0.00 0.00 0.00 3 Q 8.49 3.84 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 4 S 8.82 4.44 0.00 4.07 4.11 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 0.00 0.00 0.00 5 N 7.89 4.48 0.00 3.04 3.14 0.00 0.00 6.47 7.54 0.00 0.00 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 R 7.91 4.00 0.00 1.89 2.15 0.00 3.12 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 7 E 8.17 3.89 0.00 2.27 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 2.27 2.31 0.00 8 L 8.10 3.91 0.00 1.96 1.57 0.13 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.11 4.03 2.45 0.00 0.00 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 1.15 0.00 0.00 10 V 7.97 3.80 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 0.51 0.00 0.00 0.86 0.00 0.00 11 D 8.29 4.33 0.00 2.83 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 12 F 8.44 4.27 0.00 3.13 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.59 4.16 0.00 2.19 1.80 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.79 4.44 0.00 4.15 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 15 Y 8.21 4.10 0.00 3.00 3.05 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 16 K 7.96 3.68 0.00 1.68 1.73 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.81 1.12 7.81 17 L 8.21 4.09 0.00 1.92 1.77 0.64 0.53 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 18 S 8.23 4.43 0.00 3.90 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 19 Q 7.70 3.87 0.00 1.52 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.87 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 20 K 7.30 4.39 0.00 1.80 1.71 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.64 7.81 21 G 8.34 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 22 Y 7.75 4.94 0.00 3.10 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 23 S 8.19 4.97 0.00 4.00 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 24 W 9.04 4.09 0.00 3.50 3.22 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 25 S 8.49 4.61 0.00 3.96 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 0.00 26 Q 8.30 3.90 0.00 1.77 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 1.41 1.16 0.00 27 F 7.70 5.14 0.00 3.09 2.97 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 28 S 8.07 4.63 0.00 4.12 4.06 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 29 D 8.04 4.57 0.00 2.70 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 *73 S 8.05 4.26 0.00 4.00 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 74 S 8.45 4.17 0.00 3.89 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 75 L 8.44 4.27 0.00 1.61 1.56 0.92 1.33 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 76 D 8.58 4.50 0.00 2.72 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 77 A 7.53 4.11 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 78 R 7.91 4.97 0.00 1.86 2.06 0.00 3.34 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 0.00 79 E 7.52 4.92 0.00 1.92 1.82 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 2.10 2.21 0.00 80 V 8.09 4.56 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 0.79 0.00 0.00 0.95 0.00 0.00 81 I 8.65 4.45 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.97 0.97 0.00 0.00 82 P 0.00 4.85 0.00 2.32 2.15 0.00 3.54 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 2.00 2.06 0.00 83 M 8.88 3.81 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.82 0.00 84 A 7.92 3.95 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 85 A 7.85 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.67 3.65 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 0.42 0.00 0.00 0.99 0.00 0.00 87 K 8.07 3.84 0.00 1.94 1.76 0.00 1.76 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.38 7.81 88 Q 7.83 3.79 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 89 A 7.91 4.03 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.05 0.00 1.77 1.59 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.98 4.09 0.00 1.95 1.48 0.00 2.92 0.00 0.00 2.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.60 0.00 92 E 8.28 4.05 0.00 2.12 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 2.37 2.57 0.00 93 A 8.54 4.57 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 94 G 8.67 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 95 D 8.76 4.59 0.00 3.06 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 96 E 8.91 4.04 0.00 2.37 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 2.50 2.59 0.00 97 F 8.92 4.11 0.00 3.47 3.56 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 98 E 8.56 4.22 0.00 2.46 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 2.44 2.55 0.00 99 L 7.98 4.13 0.00 1.85 1.71 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.44 4.09 0.00 1.47 1.75 0.00 2.93 0.00 0.00 2.86 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 101 Y 6.93 4.54 0.00 2.59 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.09 3.75 0.00 1.92 2.06 0.00 3.01 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 103 R 6.69 3.95 0.00 1.75 1.85 0.00 3.32 0.00 0.00 3.22 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 104 A 8.00 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 7.54 4.90 0.00 3.32 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 0.00 106 S 8.51 4.21 0.00 3.92 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 0.00 107 D 8.27 4.43 0.00 2.79 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 0.00 108 L 7.82 3.96 0.00 1.93 1.50 0.76 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 109 T 9.72 4.10 4.41 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 1.31 0.00 0.00 110 S 8.22 4.35 0.00 3.87 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 0.00 111 Q 7.70 4.16 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 112 L 8.07 4.04 0.00 1.82 1.79 1.14 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.42 3.99 0.00 3.35 3.27 0.00 5.81 0.00 0.00 0.00 0.00 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.42 3.84 1.94 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.12 0.87 0.00 0.00 115 T 8.78 4.72 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 1.12 0.00 0.00 116 P 0.00 4.34 0.00 2.05 2.14 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 117 G 7.84 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 0.00 118 T 7.73 3.93 4.52 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 1.18 0.00 0.00 119 A 8.13 4.74 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 0.00 120 Y 8.33 2.72 0.00 2.75 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 0.00 121 Q 7.77 3.82 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 122 S 7.55 4.00 0.00 3.71 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 0.00 123 F 7.55 4.05 0.00 2.75 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 0.00 124 E 7.90 3.88 0.00 1.35 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 0.00 2.34 2.46 0.00 125 Q 7.88 3.87 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 126 V 7.50 3.58 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 0.83 0.00 0.00 0.91 0.00 0.00 127 V 7.50 3.13 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 0.15 0.00 0.00 -0.10 0.00 0.00 128 N 8.09 4.50 0.00 3.06 2.87 0.00 0.00 6.65 7.28 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 0.00 129 E 7.85 3.91 0.00 1.96 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 2.43 2.37 0.00 130 L 7.41 3.74 0.00 1.19 1.42 0.60 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.40 4.67 0.00 2.96 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 0.00 132 R 7.73 3.83 0.00 1.91 2.07 0.00 3.01 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 133 D 7.89 4.50 0.00 2.63 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.03 3.78 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 0.00 0.00 0.00 135 V 7.42 4.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.59 0.00 0.00 0.38 0.00 0.00 136 N 7.35 4.22 0.00 3.09 2.87 0.00 0.00 6.21 8.88 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 0.00 137 W 8.91 4.62 0.00 3.89 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.72 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 139 A 8.68 3.93 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 0.00 140 I 7.87 3.94 2.19 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.70 1.31 0.00 0.00 141 V 8.12 3.63 2.37 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 1.26 0.00 0.00 0.99 0.00 0.00 142 A 8.04 3.06 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 0.00 143 F 8.64 3.87 0.00 2.99 3.44 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 0.00 144 F 8.34 3.50 0.00 2.78 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 0.00 0.00 0.00 145 S 8.22 4.59 0.00 3.86 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 0.00 146 F 8.33 3.40 0.00 1.95 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 0.00 147 G 7.63 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 0.00 148 G 8.63 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 0.00 0.00 0.00 149 A 8.37 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.87 3.80 0.00 1.66 1.47 0.56 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 151 C 8.07 3.83 0.00 2.97 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 0.00 152 V 7.86 3.44 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 1.13 0.00 0.00 1.02 0.00 0.00 153 E 8.18 3.87 0.00 2.12 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 0.00 2.29 2.36 0.00 154 S 7.95 3.96 0.00 3.86 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 0.00 155 V 7.54 3.23 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 0.32 0.00 0.00 0.58 0.00 0.00 156 D 7.57 4.24 0.00 2.72 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 0.00 157 K 7.63 4.31 0.00 1.85 1.74 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.44 7.81 158 E 8.21 3.72 0.00 2.03 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 2.19 2.37 0.00 159 M 8.08 4.72 0.00 1.86 1.86 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 2.57 2.36 0.00 160 Q 7.99 3.74 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 161 V 7.59 3.58 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 0.75 0.00 0.00 0.83 0.00 0.00 162 L 7.74 3.82 0.00 1.58 1.43 0.83 0.44 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 0.00 163 V 7.04 3.13 1.58 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 -0.32 0.00 0.00 0.50 0.00 0.00 164 S 7.47 4.14 0.00 4.14 3.75 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 0.00 165 R 6.82 3.31 0.00 1.20 0.66 0.00 3.01 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.53 0.00 166 I 7.42 2.83 1.47 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.15 0.63 0.00 0.00 167 A 7.82 4.00 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 0.00 168 S 7.65 4.07 0.00 3.94 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 0.00 169 W 8.07 4.61 0.00 2.95 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 0.00 170 M 8.63 4.66 0.00 2.03 2.32 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.41 0.00 171 A 8.34 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 172 T 8.36 3.80 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 0.80 0.00 0.00 173 Y 8.95 4.23 0.00 3.71 3.39 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 0.00 174 L 8.61 4.04 0.00 2.24 2.01 1.24 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.22 4.36 0.00 2.83 2.88 0.00 0.00 7.17 8.63 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 0.00 176 D 8.60 4.34 0.00 2.39 2.41 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 0.00 177 H 8.10 4.35 0.00 2.38 2.82 0.00 5.64 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 0.00 178 L 7.33 4.11 0.00 1.67 1.48 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.38 3.97 0.00 2.12 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 0.00 2.45 2.61 0.00 180 P 0.00 4.18 0.00 2.13 2.08 0.00 3.50 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 181 W 8.20 4.03 0.00 3.19 3.10 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 0.00 182 I 7.85 3.46 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.54 0.64 0.00 0.00 183 Q 8.20 3.96 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.99 0.00 0.00 0.00 0.00 0.00 2.75 2.52 0.00 184 E 8.11 4.02 0.00 2.07 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 2.04 2.00 0.00 185 N 7.59 4.37 0.00 1.44 1.88 0.00 0.00 7.25 7.52 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 0.00 186 G 6.72 3.81 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 0.00 187 G 8.31 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 0.00 0.00 0.00 188 W 8.69 4.26 0.00 3.52 3.29 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 0.00 189 D 8.53 4.49 0.00 2.87 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 0.00 190 T 7.88 4.04 4.49 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 1.30 0.00 0.00 191 F 7.63 3.33 0.00 1.51 3.05 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 0.00 192 V 7.99 3.48 2.30 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 0.94 0.00 0.00 1.13 0.00 0.00 193 D 7.34 4.41 0.00 2.85 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 L 7.57 4.06 0.00 1.54 1.31 1.08 0.62 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 0.00 195 Y 7.62 4.53 0.00 1.98 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 G 8.33 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.