NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2439 8.2649 122.4641 51.6767 20.1050 176.0556 *2 L 4.0208 8.2807 121.2415 54.3572 43.5187 175.4406 3 K 4.7178 8.6976 123.7267 54.7009 34.7554 175.1372 4 G 4.2320 8.4011 115.6878 43.3503 0.0000 172.1663 5 K 3.7423 8.6448 119.1133 59.0218 31.7433 177.4944 6 Y 4.6945 8.5258 114.1187 57.6361 39.2589 174.7012 7 T 4.9626 7.4870 109.5030 59.8272 73.2299 172.7069 8 K 5.1417 8.9699 120.0352 54.7771 36.7101 175.6231 9 I 5.0130 8.7160 124.5782 59.6259 39.7902 174.9417 10 E 4.7925 9.1106 125.6626 54.0630 34.0725 174.9928 11 K 3.9075 8.6202 124.3825 56.2835 33.3554 176.3218 12 V 3.7277 8.3492 128.0035 62.4717 32.0056 176.1699 13 N 4.1942 9.2086 126.2357 56.5419 38.5050 176.4968 14 G 3.7056 7.9520 104.2803 46.5180 0.0000 173.4496 15 V 4.2758 7.3027 119.7552 60.3257 33.3108 174.8569 16 E 3.8821 8.6508 127.9749 57.6474 30.2302 176.6691 17 R 4.2410 8.7048 121.8274 56.9536 27.9488 174.6647 18 E 4.9873 7.2877 118.4037 54.5523 32.8799 174.2204 19 Y 4.9434 8.7697 123.3757 56.0488 42.5850 173.8271 20 L 4.6961 9.3119 126.2107 53.6957 44.2265 174.9433 21 I 4.9356 8.7010 127.8770 60.0364 39.2546 174.9430 22 T 5.3025 8.7409 116.3461 60.1970 73.0638 172.8406 23 D 5.5449 8.6954 122.0750 51.2708 41.9152 177.3081 24 K 4.0390 8.8042 116.7388 59.2290 32.0406 177.5981 25 Y 4.6404 8.1248 114.7308 57.9745 38.2181 176.0257 26 G 3.9567 8.4591 108.4466 45.9238 0.0000 173.6104 27 I 4.1514 7.8079 120.3626 60.3994 37.9367 175.6150 28 T 4.5502 8.4783 121.9377 63.7407 69.1719 174.5495 29 I 4.1217 8.9526 128.2487 62.7313 38.2378 175.8612 30 G 3.8451 6.9521 105.3691 45.8015 0.0000 171.4869 31 R 4.8639 8.3351 117.2348 54.5971 34.6004 174.8772 32 I 4.5874 8.4340 122.3278 59.4973 40.2944 174.6644 33 F 5.2576 9.2703 125.0626 55.5967 42.0293 174.4638 34 I 4.3660 9.1197 126.4321 61.5600 36.9043 175.9523 35 V 4.2762 8.7606 126.6930 64.2620 33.2629 175.5886 36 D 4.8796 7.8391 118.9309 52.7955 44.7917 173.9177 37 L 4.8952 8.5037 126.8094 53.7137 45.5136 174.8432 38 N 4.8633 9.4390 124.9556 52.1523 41.3311 174.9664 39 K 4.0663 8.7962 126.6180 59.4905 32.6294 179.4397 40 D 4.3873 8.2333 117.7711 57.2585 40.8116 176.9194 41 N 4.5916 8.7561 113.9771 53.0207 39.3270 174.9292 42 R 3.8142 7.6277 116.9748 57.4839 28.5695 175.2501 43 F 5.4707 8.5814 118.8186 56.7170 42.7431 173.6914 44 C 5.4148 8.3688 124.7414 56.2950 35.9611 172.0712 *46 F 5.0707 8.3573 114.5521 57.1217 39.4025 174.5565 47 R 5.2863 8.8038 120.5220 54.2238 33.3483 174.2860 *49 K 4.5000 8.3397 116.1913 56.5986 33.7836 175.1457 50 I 4.7933 8.2039 124.1981 59.3161 40.1544 175.1244 51 Y 4.5685 8.6968 124.9836 57.6206 38.6701 176.2309 52 K 4.0235 8.8664 124.0022 56.8785 32.7158 176.1412 53 Q 4.5990 8.5495 125.4619 54.4565 30.2773 176.2601 54 G 3.7065 8.5951 110.3037 47.2361 0.0000 173.1605 55 K 4.6443 7.4980 117.0190 53.7429 35.8130 175.3591 56 S 4.3092 8.4748 115.0147 58.6221 62.7907 173.5763 57 I 4.6122 8.0919 120.4571 60.0431 38.2789 177.0677 58 N 4.3203 8.0239 120.3615 57.9222 38.4037 176.9334 59 T 3.9133 8.0013 116.4413 66.7675 68.4619 176.1871 60 Y 3.9521 8.3526 118.7603 60.9846 37.9684 177.9931 61 I 3.6743 7.8835 120.2456 64.4565 37.2473 178.2006 62 K 3.7917 8.1865 119.2813 59.5605 31.9128 178.9485 63 E 3.9035 7.9620 118.8619 59.2458 29.5116 178.8278 64 I 3.6508 8.0371 120.1938 64.4900 36.9805 178.4249 65 L 4.1134 7.7673 118.3411 57.8985 41.4875 179.5750 66 S 4.4207 8.0563 114.1205 61.5483 63.2488 176.4444 67 V 3.8413 8.3004 121.2813 65.9513 31.1924 178.5046 68 F 4.5547 8.3241 119.4161 58.5241 39.4078 176.5280 *70 E 4.2920 8.1027 118.3018 55.8079 31.4245 177.1411 71 F 4.1274 8.0096 120.1889 61.3891 39.9076 177.1470 72 L 3.3169 7.7509 120.3823 57.6805 41.5088 179.7487 73 F 4.4538 7.4570 115.4235 59.7605 39.0183 176.4281 74 K 4.6026 8.1938 117.7863 56.5609 33.4542 177.0708 75 S 4.6469 7.6318 111.9366 58.3756 63.7622 174.0930 76 N 4.6522 7.2469 115.0568 51.9526 40.1100 173.6156 77 D 4.4072 8.1322 115.5909 55.1182 39.5903 173.3357 78 I 4.0770 7.3629 117.0829 60.5908 38.0057 175.2764 79 N 4.9540 9.3898 123.0225 54.5721 41.1004 174.6336 80 K 5.1243 8.1217 119.3439 54.5581 35.9084 174.9899 81 V 4.9374 8.8265 126.5763 61.1904 34.1973 173.6538 82 N 5.5928 8.7181 124.7716 51.5600 41.6492 174.0849 83 I 4.1814 8.5826 122.3640 59.4616 41.1544 174.2779 84 I 4.9368 8.7165 128.4110 59.8109 39.1719 175.2937 85 V 4.8023 8.5306 119.4433 59.1778 36.4550 174.4624 86 D 4.6277 8.8528 123.3987 54.7385 41.6871 177.2586 87 E 4.0142 8.4864 123.9349 58.6547 29.6400 178.3757 88 E 4.1287 9.4942 119.4036 58.8350 29.7232 177.9370 89 V 3.8200 7.6269 118.2565 62.2553 32.1254 175.4699 90 S 4.3400 8.6635 121.1538 58.6575 62.5774 174.6786 91 T 4.3629 8.7151 118.2985 63.0970 68.9635 176.2970 92 Q 4.0034 8.1387 123.1767 59.1575 29.1813 176.2060 93 P 4.1939 0.0000 0.0000 65.5229 31.3224 178.6520 94 F 3.8103 7.8810 116.1137 60.4493 38.8820 177.7750 95 V 3.7762 7.8773 117.9271 66.1044 31.1555 177.9631 96 E 4.1141 8.4226 117.4988 58.7048 29.3800 178.3147 97 L 4.4167 7.7497 116.5185 54.7656 42.0784 177.4925 98 G 3.9609 7.7971 107.3867 45.1675 0.0000 173.8819 99 F 4.4038 8.1150 117.8483 57.1384 39.7402 174.9105 100 A 4.6165 9.0261 126.6932 51.4053 20.2232 176.8038 101 F 4.3654 9.0818 120.4333 57.5969 38.8491 175.2014 102 E 4.4516 9.5635 124.5676 56.3178 31.5228 176.1103 103 G 4.0157 7.0422 105.1064 46.3305 0.0000 171.5013 104 I 5.0028 8.2219 119.6258 59.6314 40.3913 176.0724 105 I 4.1852 9.0563 129.6205 59.8978 36.0782 174.8885 106 N 4.7617 8.5447 125.2353 53.3276 39.9265 175.6850 107 K 4.0163 8.6855 121.5670 57.7086 30.1932 176.3255 108 S 4.5478 7.4317 110.9511 58.2864 64.0615 173.7810 109 I 4.4631 7.5897 122.6914 59.5077 39.4451 174.3114 110 I 4.7927 8.3053 125.3382 59.3904 39.2165 174.7171 111 E 4.4143 8.8495 125.8684 55.7942 32.3385 175.7622 112 K 3.6999 9.7074 127.4165 57.8180 29.6546 174.9066 113 N 4.4917 8.3367 112.7359 53.3088 36.3886 174.8631 114 V 4.4478 7.5246 118.1561 59.5181 33.7642 174.6010 115 L 4.8511 8.3914 123.0804 54.4679 42.5966 176.1982 116 K 4.7053 9.2724 122.2744 54.7025 36.6744 174.9315 117 D 5.2287 8.3449 120.5230 53.2562 43.5418 175.3651 118 E 4.9481 8.8041 119.9160 54.5555 33.0600 175.6964 119 F 4.9298 8.7913 122.4161 57.0824 40.9017 174.3890 120 L 4.8294 8.8477 124.7264 53.5430 44.0577 175.1064 121 F 5.2439 9.1751 125.8729 56.1143 41.9565 175.4507 122 G 5.2937 9.4938 108.0865 43.4284 0.0000 170.9475 *124 D 5.1599 8.4471 118.0107 52.9181 40.7591 175.7820 125 Y 3.2302 8.9212 120.3998 60.6311 38.3915 178.1888 126 K 3.8760 8.2700 118.8090 59.7062 31.9459 178.2037 127 N 4.2132 8.3732 115.6293 56.9222 38.6332 175.6144 128 Y 3.9348 7.7777 120.9549 60.6660 38.6068 177.3546 129 N 4.1536 8.0567 114.9783 54.3757 39.2315 175.2917 130 S 4.3208 7.3200 119.8050 59.3237 63.2924 173.6362 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 0 A 8.26 4.24 1.26 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 0.00 0.00 *2 L 8.28 4.02 0.00 1.52 1.55 0.37 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.70 4.72 0.00 1.68 1.60 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.24 1.36 7.81 4 G 8.40 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.64 3.74 0.00 1.43 1.59 0.00 1.49 0.00 0.00 1.44 0.00 0.00 2.80 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.83 7.81 6 Y 8.53 4.69 0.00 2.18 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 7 T 7.49 4.96 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 1.20 0.00 0.00 8 K 8.97 5.14 0.00 1.67 1.65 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.40 7.81 9 I 8.72 5.01 1.75 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.51 0.63 0.00 0.00 10 E 9.11 4.79 0.00 1.82 1.74 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 2.19 2.20 0.00 11 K 8.62 3.91 0.00 1.65 1.55 0.00 1.70 0.00 0.00 1.51 0.00 0.00 2.56 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.00 0.47 7.81 12 V 8.35 3.73 1.92 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 0.85 0.00 0.00 0.86 0.00 0.00 13 N 9.21 4.19 0.00 2.70 2.86 0.00 0.00 7.09 7.65 0.00 0.00 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 G 7.95 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 15 V 7.30 4.28 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 0.86 0.00 0.00 0.93 0.00 0.00 16 E 8.65 3.88 0.00 2.08 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 2.40 2.42 0.00 17 R 8.70 4.24 0.00 2.15 2.12 0.00 3.19 0.00 0.00 3.52 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 18 E 7.29 4.99 0.00 1.93 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 0.00 1.84 1.54 0.00 19 Y 8.77 4.94 0.00 2.47 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 9.31 4.70 0.00 1.60 1.57 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.70 4.94 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.54 0.88 0.00 0.00 22 T 8.74 5.30 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 1.23 0.00 0.00 23 D 8.70 5.54 0.00 3.00 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 24 K 8.80 4.04 0.00 1.75 1.89 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.48 7.81 25 Y 8.12 4.64 0.00 3.17 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 26 G 8.46 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.81 4.15 2.07 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 1.46 1.09 0.97 0.00 0.00 28 T 8.48 4.55 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 1.32 0.00 0.00 29 I 8.95 4.12 1.90 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.77 0.96 0.00 0.00 30 G 6.95 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 31 R 8.34 4.86 0.00 1.47 1.09 0.00 3.18 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.41 0.00 32 I 8.43 4.59 1.35 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.42 0.21 0.00 0.00 33 F 9.27 5.26 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 34 I 9.12 4.37 2.03 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 1.40 0.98 1.02 0.00 0.00 35 V 8.76 4.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.10 0.00 0.00 36 D 7.84 4.88 0.00 2.93 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.50 4.90 0.00 1.65 1.51 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 38 N 9.44 4.86 0.00 2.84 2.80 0.00 0.00 6.85 7.39 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 39 K 8.80 4.07 0.00 1.87 1.84 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.47 7.81 40 D 8.23 4.39 0.00 2.83 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 41 N 8.76 4.59 0.00 2.81 2.91 0.00 0.00 7.19 8.08 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 42 R 7.63 3.81 0.00 2.05 2.19 0.00 3.04 0.00 0.00 3.09 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 43 F 8.58 5.47 0.00 3.18 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 44 C 8.37 5.41 0.00 2.85 2.55 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 *46 F 8.36 5.07 0.00 3.46 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 47 R 8.80 5.29 0.00 1.97 2.08 0.00 3.10 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 *49 K 8.34 4.50 0.00 1.93 1.80 0.00 1.87 0.00 0.00 1.87 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.51 1.73 7.81 50 I 8.20 4.79 1.94 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 1.40 0.94 1.01 0.00 0.00 51 Y 8.70 4.57 0.00 2.97 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 52 K 8.87 4.02 0.00 1.78 1.78 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.51 7.81 53 Q 8.55 4.60 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.50 2.30 0.00 54 G 8.60 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 55 K 7.50 4.64 0.00 1.65 1.67 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.34 7.81 56 S 8.47 4.31 0.00 3.83 3.76 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 57 I 8.09 4.61 1.78 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.78 0.76 0.00 0.00 58 N 8.02 4.32 0.00 2.83 2.94 0.00 0.00 7.06 6.93 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 59 T 8.00 3.91 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 1.28 0.00 0.00 60 Y 8.35 3.95 0.00 3.18 3.04 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 61 I 7.88 3.67 1.95 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 1.85 0.90 0.72 0.00 0.00 62 K 8.19 3.79 0.00 2.03 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.42 7.81 63 E 7.96 3.90 0.00 1.99 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 2.22 2.28 0.00 64 I 8.04 3.65 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.53 0.82 0.00 0.00 65 L 7.77 4.11 0.00 1.72 1.86 -0.34 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.06 4.42 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.30 3.84 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 1.00 0.00 0.00 0.99 0.00 0.00 68 F 8.32 4.55 0.00 3.12 2.98 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 *70 E 8.10 4.29 0.00 2.32 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 0.00 2.36 2.41 0.00 71 F 8.01 4.13 0.00 2.92 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 72 L 7.75 3.32 0.00 0.94 1.03 0.69 0.88 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 73 F 7.46 4.45 0.00 2.65 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 74 K 8.19 4.60 0.00 1.89 1.94 0.00 1.92 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.59 2.09 7.81 75 S 7.63 4.65 0.00 3.77 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 76 N 7.25 4.65 0.00 2.31 2.45 0.00 0.00 6.95 8.06 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 77 D 8.13 4.41 0.00 2.72 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 78 I 7.36 4.08 1.61 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 1.08 0.64 0.84 0.00 0.00 79 N 9.39 4.95 0.00 2.84 2.89 0.00 0.00 6.42 6.70 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 80 K 8.12 5.12 0.00 2.07 1.92 0.00 1.81 0.00 0.00 1.90 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.84 7.81 81 V 8.83 4.94 2.20 0.00 0.00 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 0.30 0.00 0.00 82 N 8.72 5.59 0.00 2.65 2.72 0.00 0.00 6.82 7.04 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 83 I 8.58 4.18 1.74 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 0.28 0.54 0.75 0.00 0.00 84 I 8.72 4.94 1.89 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 1.22 1.20 0.95 0.00 0.00 85 V 8.53 4.80 2.20 0.00 0.00 0.00 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 1.00 0.00 0.00 86 D 8.85 4.63 0.00 2.74 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 87 E 8.49 4.01 0.00 1.79 1.73 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 1.47 1.62 0.00 88 E 9.49 4.13 0.00 1.97 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 2.37 2.39 0.00 89 V 7.63 3.82 2.35 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 0.92 0.00 0.00 1.07 0.00 0.00 90 S 8.66 4.34 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 91 T 8.72 4.36 4.45 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 1.45 0.00 0.00 92 Q 8.14 4.00 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 93 P 0.00 4.19 0.00 1.82 1.95 0.00 3.82 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 2.06 2.22 0.00 94 F 7.88 3.81 0.00 2.43 2.02 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 95 V 7.88 3.78 2.22 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 1.18 0.00 0.00 1.32 0.00 0.00 96 E 8.42 4.11 0.00 1.99 2.02 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 2.38 2.55 0.00 97 L 7.75 4.42 0.00 1.85 1.76 1.03 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.80 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.11 4.40 0.00 3.17 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 9.03 4.62 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 0.00 101 F 9.08 4.37 0.00 2.86 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 0.00 102 E 9.56 4.45 0.00 1.92 2.02 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 2.33 2.50 0.00 103 G 7.04 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 0.00 104 I 8.22 5.00 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 0.94 0.00 0.00 105 I 9.06 4.19 1.83 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 1.22 0.68 0.89 0.00 0.00 106 N 8.54 4.76 0.00 2.62 2.69 0.00 0.00 7.07 7.68 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 0.00 107 K 8.69 4.02 0.00 1.87 1.86 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.33 7.81 108 S 7.43 4.55 0.00 3.99 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 0.00 109 I 7.59 4.46 1.95 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 1.27 0.80 0.90 0.00 0.00 110 I 8.31 4.79 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 1.29 0.58 0.90 0.00 0.00 111 E 8.85 4.41 0.00 1.95 1.73 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 2.20 2.27 0.00 112 K 9.71 3.70 0.00 1.86 1.89 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.45 7.81 113 N 8.34 4.49 0.00 2.89 2.99 0.00 0.00 6.98 7.68 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 0.00 114 V 7.52 4.45 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 0.84 0.00 0.00 0.92 0.00 0.00 115 L 8.39 4.85 0.00 1.53 1.62 0.91 0.87 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 0.00 116 K 9.27 4.71 0.00 1.58 1.61 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.35 7.81 117 D 8.34 5.23 0.00 2.43 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.80 4.95 0.00 1.78 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 2.16 2.18 0.00 119 F 8.79 4.93 0.00 2.81 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 0.00 0.00 0.00 120 L 8.85 4.83 0.00 1.68 1.68 0.99 0.86 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 0.00 121 F 9.18 5.24 0.00 2.60 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 0.00 122 G 9.49 5.29 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 0.00 *124 D 8.45 5.16 0.00 3.19 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 0.00 125 Y 8.92 3.23 0.00 3.11 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 8.27 3.88 0.00 2.05 1.87 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.59 7.81 127 N 8.37 4.21 0.00 2.75 2.98 0.00 0.00 7.25 7.76 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 0.00 128 Y 7.78 3.93 0.00 2.03 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 0.00 0.00 0.00 129 N 8.06 4.15 0.00 2.03 2.57 0.00 0.00 7.33 7.97 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 0.00 130 S 7.32 4.32 0.00 3.97 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 * Residues marked with a * may have inaccurate shift predictions.