NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9387 8.3549 109.7405 45.1906 0.0000 173.5627 5 K 4.2639 8.3436 121.6981 54.3551 33.5056 174.4783 6 P 4.6520 0.0000 0.0000 63.0168 33.4306 175.0326 7 I 4.8304 8.5592 123.6453 59.6350 39.5134 174.2452 8 L 5.0221 8.6980 129.9354 53.6787 43.9383 174.6822 9 Y 5.4223 9.1505 125.0596 56.9647 39.5344 174.7166 10 S 5.0878 8.7301 117.3295 56.9855 67.0287 171.5057 11 Y 5.3670 8.5523 124.0848 55.5143 41.2778 176.3631 12 F 4.0461 8.4391 121.7510 59.3440 38.0010 176.1728 13 R 3.7778 5.8400 118.6673 56.4790 30.5282 176.2543 14 S 4.3443 7.8587 113.2268 58.4450 63.1799 174.5790 15 S 4.4677 8.8713 125.5025 61.6563 62.3200 176.1700 16 C 4.2269 8.1632 120.1438 62.9569 27.9611 175.9573 17 S 4.2861 8.1720 116.4372 61.2361 62.2788 176.6135 18 W 4.3505 8.2227 130.9087 60.5182 30.4668 177.9329 19 R 3.8248 7.9823 117.7234 59.6959 29.5391 179.2113 20 V 3.6331 7.5657 116.5269 65.8721 31.5008 178.3105 21 R 3.8650 8.0788 118.1083 59.0369 29.7838 179.1111 22 I 3.5368 7.9945 119.7642 64.3177 37.0711 178.4065 23 A 3.9054 7.8888 121.5827 54.7813 18.1020 179.7896 24 L 3.8167 8.0534 117.6328 57.9745 41.7836 179.5569 25 A 4.0687 8.0762 120.7181 54.9112 18.0349 179.4741 26 L 3.9045 7.8497 118.5126 58.1394 42.2684 178.5849 27 K 4.4000 7.7752 115.1761 55.6880 31.9112 177.1180 28 G 3.9518 7.5250 106.0611 46.4504 0.0000 173.8349 29 I 4.1748 7.7944 120.8473 60.0276 37.6675 175.5397 30 D 4.8560 8.6678 126.2947 54.3323 41.4594 175.2153 31 Y 5.1036 8.1809 119.8648 55.7344 42.1073 173.6054 32 E 4.5946 9.0907 118.7106 54.6108 32.2681 175.3493 33 I 4.7664 8.1872 124.7014 59.9343 39.1463 175.5574 34 V 4.1393 8.4540 127.7778 60.2851 32.5043 173.1978 35 P 5.4727 0.0000 0.0000 62.1426 32.1791 175.7747 36 I 4.5078 8.2259 120.9071 59.5229 40.5701 174.7454 37 N 4.0755 9.2607 122.6192 56.6992 39.0934 176.2274 *43 G 3.8322 7.4951 104.4783 45.4345 0.0000 172.3258 44 Q 4.2078 8.3518 117.3594 57.3930 28.7910 177.4573 45 Q 3.9974 8.0118 118.9320 59.7268 28.9658 178.1657 46 F 4.7030 8.2937 120.8065 61.2377 39.5556 177.3746 47 T 3.5036 7.5995 115.4870 66.1811 68.0299 176.3639 48 E 3.8925 7.7530 119.2570 59.6327 29.7952 178.9834 49 E 4.0756 7.7422 116.7691 59.3833 29.3705 179.1052 50 F 3.5936 7.4659 119.1227 61.2147 39.4532 176.4625 51 Q 4.5250 7.7544 115.1584 54.3180 28.7124 175.9963 52 T 3.9088 7.1211 112.6370 62.4543 69.3810 174.6759 53 L 4.2002 8.5438 124.2894 55.1690 40.2672 175.1861 54 N 4.7756 7.1231 112.5269 52.2893 40.0214 174.2396 55 P 4.8606 0.0000 0.0000 62.4314 30.5211 177.6115 *57 K 3.6287 7.5500 110.9440 56.1003 33.8321 176.4622 58 Q 4.5152 7.5043 118.3981 54.9666 30.4597 174.8535 59 V 4.8195 8.0193 115.9518 58.7539 35.2740 173.8241 60 P 5.0378 0.0000 0.0000 62.8361 32.5054 175.2454 61 A 5.0566 8.8966 121.7900 50.1799 22.8775 174.7889 62 L 5.1498 8.8116 122.5234 53.2933 45.6208 175.2664 63 K 5.0688 9.4926 126.6803 55.2069 33.8684 175.4616 64 I 4.7239 8.8122 125.1414 60.3482 42.0254 174.3481 65 D 4.1811 9.8311 127.7989 55.6408 38.2743 174.7453 66 G 3.9360 8.6587 104.4263 45.6393 0.0000 173.2877 67 I 4.6775 7.6296 112.5876 59.0432 40.8104 173.7509 68 T 5.0937 8.2237 116.0572 61.8055 71.1839 174.0618 69 I 4.4919 8.6254 126.0717 59.7080 40.6556 175.4440 70 V 4.5047 8.4461 119.7989 60.6414 34.6705 172.1604 71 Q 3.7139 8.7156 126.4535 55.4079 25.8975 174.4315 72 S 4.1447 8.8579 118.3998 61.7069 63.0312 176.8788 73 L 4.0953 8.0628 119.2390 57.4790 41.7341 178.5688 74 A 4.2462 8.0456 120.1592 55.3504 18.2323 180.3056 75 I 3.5513 7.6976 114.5023 62.4413 36.9356 177.8818 *77 E 4.2780 8.1261 121.9721 56.6928 31.6357 177.6754 78 Y 4.0427 8.1796 119.1893 60.5469 38.7858 177.9547 79 L 3.8724 8.1474 119.9327 57.8003 41.7717 178.8634 80 E 3.8760 8.2042 118.6227 59.6849 29.2203 178.7186 81 E 3.9558 7.9743 117.3180 59.0049 29.6355 178.6143 82 T 4.2821 7.4767 108.1962 61.9305 70.7521 175.3225 83 R 4.5202 8.0761 120.9013 52.9657 30.8998 173.5198 84 P 4.9019 0.0000 0.0000 64.0693 31.9664 176.6274 85 I 4.6417 6.7005 114.4953 58.5752 39.1305 173.9748 86 P 4.4290 0.0000 0.0000 62.0924 31.8964 176.6416 87 R 4.2419 8.2455 120.2118 56.0066 30.3651 177.0277 88 L 4.2600 9.1104 123.5453 55.7450 42.2858 177.1016 89 L 4.7096 8.1544 118.6134 51.7696 44.1406 174.8716 90 P 4.5812 0.0000 0.0000 62.5545 32.4006 175.8641 91 Q 4.1348 8.4092 116.0848 58.1594 29.2966 177.0145 92 D 4.3982 7.9389 117.9726 53.5519 42.1439 174.6387 93 P 4.2255 0.0000 0.0000 66.1056 31.2610 178.6229 94 Q 4.0389 8.1395 116.1951 58.7387 28.7452 178.6059 95 K 4.0063 8.4065 119.6773 59.5291 32.0894 179.5999 96 R 3.9578 8.3258 118.2816 59.1038 29.6729 179.0099 97 A 4.0150 7.6883 120.0317 55.1713 18.4403 179.4568 98 I 3.8163 7.3545 117.6577 64.3363 37.4333 178.5473 99 V 3.7933 7.8804 119.1687 65.8277 31.3744 179.3990 100 R 3.9109 8.0006 117.5961 56.2095 29.9642 178.9986 *102 I 4.0764 7.7552 120.4923 61.6862 39.4531 178.2785 103 S 4.1259 8.0250 116.1792 62.0133 62.6323 176.7578 104 D 4.4727 8.5070 121.7468 56.9593 40.5150 178.4624 105 L 3.9362 7.9094 120.5465 58.2423 42.0103 179.0552 106 I 3.6714 7.8295 119.2708 64.5559 36.9739 178.4372 107 A 4.0096 8.4599 120.5096 54.4846 18.2919 178.8843 108 S 4.6589 8.6130 112.2220 58.8194 64.1449 175.8804 109 G 3.9074 7.9051 106.1862 46.4328 0.0000 175.2232 110 I 3.9661 7.4600 122.4218 63.2403 37.7307 178.2653 111 Q 3.7840 8.1662 120.4069 58.8814 29.1137 176.2443 112 P 4.2857 0.0000 0.0000 65.7069 31.5407 177.8008 113 L 4.4851 7.4029 114.8921 55.1754 41.0115 177.9027 114 Q 4.6095 7.7417 116.7323 55.4049 28.8517 175.2998 115 N 4.6904 7.5624 117.6757 53.1811 39.0034 174.1366 *125 E 4.4588 8.3126 121.0518 55.6114 30.8033 177.3610 126 N 5.1689 9.1312 112.3476 52.1841 38.8497 176.9713 127 Q 4.6314 8.0683 117.3088 56.7442 28.0646 178.0494 *129 Q 4.2653 8.1785 119.0475 56.9857 31.3366 177.9299 130 W 4.2254 8.2704 126.6665 60.3596 30.6998 177.7894 131 A 3.4606 7.9595 120.7804 55.3311 17.5410 179.6917 132 Q 3.7463 7.7266 115.7314 58.7502 28.8633 178.7067 133 K 3.7524 7.6169 120.1595 59.3055 32.2159 178.9439 134 V 3.1040 6.9422 118.2778 66.0085 31.3997 178.1027 135 I 3.2318 7.4800 119.9075 64.1494 36.7351 178.6313 136 T 3.8746 7.8183 110.7722 64.9543 68.5613 176.6914 137 S 4.1892 8.0141 118.5566 61.1387 62.8490 177.0732 138 G 3.5497 7.8588 108.2259 47.9269 0.0000 175.8587 139 F 4.4618 8.1086 120.1600 59.8364 38.7339 177.6471 140 N 4.6074 8.6174 116.7932 56.3469 38.4864 177.2542 141 A 4.1130 7.8639 121.9242 55.0628 18.4408 179.4896 142 L 3.9345 8.3556 119.3695 58.0251 42.0406 178.5807 143 E 3.8777 8.4477 119.8534 59.1317 29.3199 178.8265 144 K 3.9699 7.5199 117.3286 59.5600 32.6092 178.5675 145 I 3.8567 7.6595 119.7896 64.4472 37.0743 178.4334 146 L 4.1853 8.1300 120.8139 56.7905 41.1420 179.3075 147 Q 4.0306 7.6738 117.7497 58.7724 28.6140 178.4512 148 S 4.4275 7.8647 115.2771 60.6626 63.7729 175.9026 149 T 4.2495 7.7157 110.9037 62.0218 69.5046 174.6595 150 A 4.8698 7.0866 124.1777 51.0576 20.7847 174.6854 151 G 3.8258 8.7102 109.1446 45.6862 0.0000 175.8632 152 K 3.8743 6.4592 126.7275 57.9408 32.9733 174.3174 153 Y 5.0431 7.5515 115.3225 56.0780 41.6533 175.3365 154 C 3.9575 9.1144 117.6320 62.7937 28.0808 174.6427 155 V 4.3223 7.3122 119.3414 61.3556 32.5677 175.8271 156 G 3.8582 8.6392 119.2092 45.5880 0.0000 172.6342 157 D 4.7193 8.7720 123.0105 53.8208 41.3072 175.5484 158 E 4.7781 7.9150 117.7347 53.8159 31.5843 176.0168 159 V 3.4778 8.1171 122.5643 63.3531 33.7221 172.8577 160 S 4.5880 9.4326 118.5114 59.0172 64.3571 175.6598 *162 A 4.3342 9.2439 121.0995 52.0328 21.0847 180.0066 163 D 4.3401 7.5269 113.5112 57.4603 40.5324 179.1859 164 V 3.7021 7.4392 117.8032 66.2066 31.7199 177.5784 165 C 4.2764 7.9679 115.8070 61.9727 28.0378 175.7263 166 L 3.9849 7.7019 122.4104 57.9512 41.7511 178.8347 167 V 3.4062 7.3884 117.6264 65.7621 31.4470 176.3497 168 P 4.3215 0.0000 0.0000 65.3091 31.1466 178.4662 169 Q 4.0857 7.7894 117.4879 59.0887 28.9903 178.1960 170 V 3.9102 8.3890 119.6174 65.9193 31.5901 177.9119 171 A 4.1983 8.3511 120.7589 55.0665 18.1648 179.2897 172 N 4.3909 8.2886 114.4903 56.5650 38.6449 177.2196 173 A 4.0728 8.2104 122.0311 55.5961 18.5712 179.6306 174 E 3.9637 8.4320 116.8912 59.4291 29.2639 179.5790 175 R 3.9319 7.8452 118.1458 58.8543 30.1442 177.5346 176 F 4.6129 8.2039 115.2969 56.5597 39.1247 175.7607 177 K 3.9404 7.7853 116.1591 57.3988 29.7542 176.0040 178 V 3.8518 8.4575 119.3538 62.4231 31.9866 174.9875 179 D 4.5967 8.7007 127.0813 54.1421 41.7808 175.6648 180 L 4.7930 8.5167 124.9105 54.8843 42.4335 178.3600 181 S 4.0947 8.1197 116.1059 61.1041 62.7696 173.7849 182 P 4.2803 0.0000 0.0000 63.7758 32.0346 175.7419 183 Y 5.0971 7.6328 117.0923 55.8676 38.1458 174.4298 184 P 4.3057 0.0000 0.0000 66.0006 32.1275 178.9793 185 T 3.8725 8.0076 115.6681 66.4321 68.2735 176.7756 186 I 3.5595 7.7959 121.2973 64.4781 36.9698 178.5429 187 S 4.0606 8.2921 113.9651 61.2009 62.1041 175.7968 188 H 4.0814 8.3542 121.2231 59.3123 29.7587 177.1839 189 I 3.6579 7.7175 121.6332 64.3527 36.9182 177.7626 190 N 4.1359 8.2997 118.0013 56.8793 38.5609 177.0741 191 K 4.0366 7.5695 118.0087 58.8845 32.0941 178.9969 192 E 4.0477 8.0892 119.4242 59.3604 29.2888 179.3549 193 L 3.7718 7.8336 118.8886 57.5942 41.4397 179.4303 194 L 4.0212 7.6568 116.7421 56.8845 41.6629 178.0873 195 A 4.2189 7.4334 119.3272 53.5148 18.8596 177.5502 196 L 4.4960 7.9755 117.4010 53.5025 43.0445 177.2230 197 E 4.0085 9.1763 123.9953 59.6699 29.9356 179.6539 198 V 3.6702 7.9865 111.1355 64.0439 31.7358 177.7753 199 F 4.4160 8.1229 116.7484 59.0149 39.8411 177.6460 200 Q 4.4083 8.2749 119.8708 58.8204 28.7769 178.3904 201 V 3.8354 8.0361 111.9853 63.3976 31.6088 177.6858 202 S 4.6819 7.2705 109.8700 57.5318 63.9682 173.8357 203 H 3.6403 7.6182 123.2241 55.3229 30.2093 174.2187 204 P 4.0316 0.0000 0.0000 65.5432 31.1318 177.5169 205 R 4.1942 7.8331 114.3541 57.0552 30.4763 176.8085 206 R 4.6025 7.6633 117.4253 55.9518 31.0537 175.6641 207 Q 4.6894 7.2766 115.2286 53.2654 31.3209 175.4231 208 P 4.1830 0.0000 0.0000 65.2721 31.4338 177.1904 209 D 4.6813 7.7614 114.4339 52.9802 39.7995 176.4240 210 T 2.7556 7.0846 117.6291 62.8083 68.9432 172.4169 211 P 4.2754 0.0000 0.0000 61.9092 32.2715 177.2599 212 A 3.9567 8.3892 123.6837 54.6883 18.4015 178.3199 213 E 4.1671 8.0258 112.0298 57.5047 29.9994 177.4751 214 L 4.3729 7.5958 123.2156 53.3844 41.2645 177.2744 *215 R 4.0978 7.9486 119.6549 56.1506 30.0285 175.8111 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 4 G 8.35 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 5 K 8.34 4.26 0.00 1.77 1.94 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.55 7.81 6 P 0.00 4.65 0.00 2.15 2.12 0.00 3.87 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 2.19 2.19 0.00 7 I 8.56 4.83 1.90 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 1.10 0.83 0.47 0.00 0.00 8 L 8.70 5.02 0.00 1.72 1.68 1.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 9.15 5.42 0.00 3.29 2.92 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 10 S 8.73 5.09 0.00 3.95 3.73 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 11 Y 8.55 5.37 0.00 3.02 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 12 F 8.44 4.05 0.00 3.12 3.24 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 13 R 5.84 3.78 0.00 0.67 1.76 0.00 3.18 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.24 0.00 14 S 7.86 4.34 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 15 S 8.87 4.47 0.00 4.23 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 0.00 16 C 8.16 4.23 0.00 3.07 3.08 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 17 S 8.17 4.29 0.00 4.28 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 18 W 8.22 4.35 0.00 3.34 3.25 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 19 R 7.98 3.82 0.00 2.17 1.98 0.00 3.20 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.86 0.00 20 V 7.57 3.63 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 1.03 0.00 0.00 0.94 0.00 0.00 21 R 8.08 3.87 0.00 2.29 2.15 0.00 3.37 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.00 0.00 22 I 7.99 3.54 1.72 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.69 0.01 0.00 0.00 23 A 7.89 3.91 1.25 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 24 L 8.05 3.82 0.00 1.59 1.49 0.08 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.08 4.07 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 0.00 0.00 0.00 0.00 0.00 26 L 7.85 3.90 0.00 1.66 1.77 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.78 4.40 0.00 1.87 1.80 0.00 1.87 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.41 7.81 28 G 7.53 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.79 4.17 1.91 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 1.32 0.68 0.98 0.00 0.00 30 D 8.67 4.86 0.00 2.59 2.60 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 31 Y 8.18 5.10 0.00 3.07 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 32 E 9.09 4.59 0.00 1.89 1.81 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 2.20 2.25 0.00 33 I 8.19 4.77 1.84 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 1.06 0.37 1.01 0.00 0.00 34 V 8.45 4.14 1.55 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 1.09 0.00 0.00 0.72 0.00 0.00 35 P 0.00 5.47 0.00 2.01 2.35 0.00 3.67 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 36 I 8.23 4.51 2.12 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.48 0.90 0.00 0.00 37 N 9.26 4.08 0.00 2.73 2.79 0.00 0.00 6.95 7.98 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 *43 G 7.50 3.83 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 0.00 0.00 0.00 44 Q 8.35 4.21 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.86 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 45 Q 8.01 4.00 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.69 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 46 F 8.29 4.70 0.00 3.18 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 47 T 7.60 3.50 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 1.15 0.00 0.00 48 E 7.75 3.89 0.00 2.18 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 2.33 2.34 0.00 49 E 7.74 4.08 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 2.40 2.37 0.00 50 F 7.47 3.59 0.00 2.25 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 51 Q 7.75 4.52 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.61 0.00 0.00 0.00 0.00 0.00 2.07 2.38 0.00 52 T 7.12 3.91 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 1.20 0.00 0.00 53 L 8.54 4.20 0.00 1.71 1.69 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.12 4.78 0.00 2.38 2.41 0.00 0.00 7.25 7.59 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 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82 T 7.48 4.28 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 0.52 0.00 0.00 83 R 8.08 4.52 0.00 1.91 1.80 0.00 3.09 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 84 P 0.00 4.90 0.00 2.15 2.08 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 85 I 6.70 4.64 1.86 0.00 0.00 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 1.28 0.83 0.90 0.00 0.00 86 P 0.00 4.43 0.00 2.01 1.97 0.00 3.68 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 2.07 2.09 0.00 87 R 8.25 4.24 0.00 1.79 2.03 0.00 3.24 0.00 0.00 4.01 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 88 L 9.11 4.26 0.00 1.77 1.69 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.15 4.71 0.00 1.71 1.53 0.91 1.32 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 90 P 0.00 4.58 0.00 2.18 2.10 0.00 3.75 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 -0.40 0.00 0.00 135 I 7.48 3.23 1.58 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 1.20 0.45 0.12 0.00 0.00 136 T 7.82 3.87 4.32 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 1.32 0.00 0.00 137 S 8.01 4.19 0.00 4.00 3.88 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 0.00 138 G 7.86 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 0.00 0.00 0.00 139 F 8.11 4.46 0.00 2.30 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 0.00 140 N 8.62 4.61 0.00 3.03 2.95 0.00 0.00 6.76 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 0.00 141 A 7.86 4.11 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 0.00 142 L 8.36 3.93 0.00 1.78 1.73 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.45 3.88 0.00 2.25 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 0.00 2.49 2.44 0.00 144 K 7.52 3.97 0.00 1.97 2.03 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 145 I 7.66 3.86 2.00 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 1.52 0.64 0.90 0.00 0.00 146 L 8.13 4.19 0.00 1.65 1.69 0.83 0.82 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 0.00 147 Q 7.67 4.03 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.88 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 148 S 7.86 4.43 0.00 3.98 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 0.00 149 T 7.72 4.25 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 1.25 0.00 0.00 150 A 7.09 4.87 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 0.00 151 G 8.71 3.83 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 0.00 0.00 0.00 152 K 6.46 3.87 0.00 1.47 1.34 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.52 1.08 7.81 153 Y 7.55 5.04 0.00 3.23 3.12 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 0.00 154 C 9.11 3.96 0.00 2.99 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 0.00 155 V 7.31 4.32 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 0.83 0.00 0.00 0.94 0.00 0.00 156 G 8.64 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 0.00 157 D 8.77 4.72 0.00 2.71 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 0.00 158 E 7.91 4.78 0.00 2.04 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 2.20 2.37 0.00 159 V 8.12 3.48 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 -0.01 0.00 0.00 160 S 9.43 4.59 0.00 4.15 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 *162 A 9.24 4.33 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 0.00 163 D 7.53 4.34 0.00 2.83 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 0.00 164 V 7.44 3.70 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 0.74 0.00 0.00 0.88 0.00 0.00 165 C 7.97 4.28 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 0.00 166 L 7.70 3.98 0.00 1.86 1.69 0.71 0.73 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 0.00 167 V 7.39 3.41 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.54 0.00 0.00 168 P 0.00 4.32 0.00 2.23 2.33 0.00 3.55 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.21 0.00 169 Q 7.79 4.09 0.00 2.40 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 170 V 8.39 3.91 2.23 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 1.09 0.00 0.00 0.85 0.00 0.00 171 A 8.35 4.20 1.72 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 0.00 172 N 8.29 4.39 0.00 3.08 3.12 0.00 0.00 6.86 8.33 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 0.00 173 A 8.21 4.07 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.43 3.96 0.00 2.15 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 2.43 2.57 0.00 175 R 7.85 3.93 0.00 2.03 1.84 0.00 3.18 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 176 F 8.20 4.61 0.00 3.04 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 0.00 177 K 7.79 3.94 0.00 2.03 1.99 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.39 7.81 178 V 8.46 3.85 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 0.87 0.00 0.00 0.93 0.00 0.00 179 D 8.70 4.60 0.00 2.70 2.59 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 0.00 180 L 8.52 4.79 0.00 1.84 1.80 1.04 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 181 S 8.12 4.09 0.00 3.87 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 0.00 182 P 0.00 4.28 0.00 1.12 1.81 0.00 3.29 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.86 0.00 183 Y 7.63 5.10 0.00 3.16 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 0.00 184 P 0.00 4.31 0.00 2.26 2.30 0.00 3.91 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 2.07 2.04 0.00 185 T 8.01 3.87 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 186 I 7.80 3.56 1.81 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.58 0.39 0.00 0.00 187 S 8.29 4.06 0.00 3.99 4.01 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 0.00 188 H 8.35 4.08 0.00 3.30 3.22 0.00 5.65 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 0.00 189 I 7.72 3.66 1.83 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 1.42 0.84 0.95 0.00 0.00 190 N 8.30 4.14 0.00 2.76 2.96 0.00 0.00 7.26 7.48 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 0.00 191 K 7.57 4.04 0.00 1.62 1.80 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.68 1.59 7.81 192 E 8.09 4.05 0.00 2.16 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 2.20 2.44 0.00 193 L 7.83 3.77 0.00 1.28 0.13 0.76 -0.01 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 0.00 194 L 7.66 4.02 0.00 1.63 1.78 1.00 0.94 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 0.00 195 A 7.43 4.22 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 0.00 196 L 7.98 4.50 0.00 2.08 1.76 1.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 197 E 9.18 4.01 0.00 2.09 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 2.42 2.48 0.00 198 V 7.99 3.67 1.93 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 0.78 0.00 0.00 0.87 0.00 0.00 199 F 8.12 4.42 0.00 3.27 3.24 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 0.00 200 Q 8.27 4.41 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.50 2.68 0.00 201 V 8.04 3.84 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 0.83 0.00 0.00 1.05 0.00 0.00 202 S 7.27 4.68 0.00 4.39 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 0.00 203 H 7.62 3.64 0.00 3.44 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 P 0.00 4.03 0.00 1.65 2.10 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.27 0.00 205 R 7.83 4.19 0.00 1.84 1.93 0.00 3.17 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 206 R 7.66 4.60 0.00 1.75 1.87 0.00 3.11 0.00 0.00 3.45 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 207 Q 7.28 4.69 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.16 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 208 P 0.00 4.18 0.00 1.99 2.06 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 209 D 7.76 4.68 0.00 2.82 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 0.00 210 T 7.08 2.76 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 0.84 0.00 0.00 211 P 0.00 4.28 0.00 2.25 2.03 0.00 2.63 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 212 A 8.39 3.96 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 0.00 213 E 8.03 4.17 0.00 2.06 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 2.21 2.25 0.00 214 L 7.60 4.37 0.00 1.46 1.55 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *215 R 7.95 4.10 0.00 1.71 1.70 0.00 3.11 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.