NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 4.0034 8.1976 109.7441 45.5380 0.0000 176.2200 5 K 3.9561 8.6054 120.4069 58.5642 32.5262 177.6374 6 R 3.9164 8.1270 119.5889 59.4863 30.8592 178.4801 7 Y 4.2527 7.9745 118.8976 60.6285 38.5709 177.3679 8 R 3.9979 8.0623 117.8121 58.3281 29.9389 178.5940 9 A 4.1014 7.6527 119.7189 54.5157 18.2248 178.9834 10 L 4.1144 7.6292 116.7283 56.9250 41.8017 179.1323 11 L 3.9624 7.2732 117.9613 57.1826 41.2971 178.6820 12 E 4.1119 8.0070 117.9951 58.5497 29.7101 177.6462 13 K 4.1131 7.4287 117.3662 58.3170 32.5698 177.4218 14 V 3.9971 7.1099 117.5246 61.5414 31.9258 174.7750 15 D 4.5336 9.5882 127.9574 53.3322 41.1274 174.1981 16 P 4.2702 0.0000 0.0000 65.6751 31.6314 177.9243 17 N 5.0011 7.8412 114.7110 52.9268 39.4306 174.5512 18 K 4.2768 7.5639 118.5926 54.5958 33.8714 175.3557 19 I 4.4135 7.9440 127.2372 60.0794 37.4914 175.1308 20 Y 4.5461 8.8825 125.9553 57.9130 39.6201 175.6057 21 T 4.6122 8.9663 111.6429 60.7642 70.6753 176.2220 22 I 3.8105 8.3524 122.3067 64.4141 36.5642 178.5181 23 D 4.4579 8.0761 119.4304 56.9612 40.9434 178.4604 24 E 4.2290 8.1945 118.8531 59.3396 29.4861 179.1134 25 A 3.8966 8.1612 120.4392 54.5731 17.5150 179.4756 26 A 3.9041 7.7290 119.6031 55.6216 18.0186 179.4144 27 H 4.3878 7.7937 114.7416 58.4314 28.9017 177.7425 28 L 3.9394 7.8324 122.2002 58.0133 41.6704 179.4332 29 V 3.6041 7.9242 118.6448 64.5094 31.3967 178.2494 30 K 4.1093 7.2891 115.3240 59.0399 31.9650 178.7458 31 E 4.1846 7.6510 117.7212 58.2304 29.4654 177.4996 32 L 4.5369 7.3812 118.0318 53.8572 43.4264 176.1470 33 A 4.7490 7.2821 119.9499 50.5751 22.1452 176.5125 34 T 4.3510 8.3561 115.6169 61.0547 68.6558 173.9324 35 A 4.5865 8.2009 126.5175 52.4619 19.1587 179.3290 36 K 4.2814 7.1449 117.2682 59.2181 32.8557 177.0810 37 F 4.8424 7.5902 112.3119 54.3364 40.1983 173.7977 38 D 4.1650 8.9278 124.2899 54.6752 41.1558 175.3942 39 E 4.0684 8.2554 126.7782 56.2713 31.1015 176.2958 40 T 4.4391 8.4511 120.9083 63.2587 70.2510 173.7232 41 V 4.3579 8.4600 126.9601 62.2254 33.0321 174.6671 42 E 5.1051 9.4119 126.7687 54.4459 34.0821 174.7236 43 V 4.8724 8.1412 121.3688 61.5200 34.4463 173.9270 44 H 5.4586 9.8130 125.3628 54.1842 31.1276 172.9934 45 A 5.1400 9.1122 126.3233 49.8174 21.9882 174.8162 46 K 4.4364 9.0196 125.5007 55.5224 32.7453 176.1221 47 L 4.1376 8.8976 129.3372 54.3886 42.3902 178.6849 48 G 3.6220 8.6523 110.1711 47.8640 0.0000 174.3292 49 I 3.9858 6.9648 114.1129 60.5923 38.5101 175.2524 50 D 4.5440 8.3161 122.3240 53.0989 41.0663 175.2285 51 P 4.5303 0.0000 0.0000 63.2460 30.8695 176.8586 52 R 4.5617 7.6663 114.7604 56.3536 31.1210 176.4291 53 R 4.1027 7.8456 117.8975 56.0417 30.5833 176.7733 54 S 4.2838 8.7092 116.4725 60.1467 62.7420 174.2277 55 D 4.8106 7.9882 117.3536 53.7104 41.3870 176.9138 56 Q 4.4205 7.8478 120.8912 54.6526 27.3714 174.5677 57 N 5.0353 7.7283 114.7329 51.2053 42.4597 174.3701 58 V 4.4820 8.3682 122.2477 61.3455 33.5698 174.6236 59 R 5.3703 7.4402 127.0339 55.8996 33.3205 174.0542 60 G 3.8960 7.2389 111.5144 46.3530 0.0000 171.4874 61 T 5.7230 8.5816 108.5675 58.8585 72.3231 173.9789 62 V 4.5127 8.2042 121.4926 60.5418 34.9778 174.1532 63 S 4.6118 8.9227 121.5018 57.6157 62.3251 173.8153 64 L 4.1804 8.1189 124.3531 53.7125 41.9692 176.5413 65 P 4.3471 0.0000 0.0000 65.4659 31.4429 176.2590 66 H 4.8708 8.5252 114.1085 50.9791 29.0398 173.1519 67 G 3.6774 8.1114 108.5405 44.0781 0.0000 168.8949 *159 G 4.2080 8.1634 107.0709 46.2889 0.0000 172.2619 160 R 5.6648 8.8149 115.6132 54.7383 31.4960 175.8860 161 I 4.6364 8.2429 113.5771 59.2356 40.6196 173.9254 162 E 4.9340 8.8683 125.7009 55.5113 30.8002 175.7950 163 F 5.1229 8.5019 119.2110 55.1412 41.1389 173.8211 164 R 5.2609 8.6852 119.2412 53.8319 32.6871 174.9574 165 N 4.5942 8.8653 119.1641 52.8364 37.5188 174.6554 166 D 4.5187 8.5539 124.8338 54.1486 41.4969 178.5221 167 K 4.1151 8.7155 118.8979 57.9765 31.4883 177.7353 168 T 4.2752 8.3977 115.6880 63.4109 69.1388 175.9562 169 G 3.9015 8.3797 110.5758 44.6787 0.0000 172.8286 170 A 5.1283 7.5645 121.1169 50.8111 21.5306 175.8943 171 I 4.8732 8.8650 119.8343 59.5693 41.6505 173.9256 172 H 5.9779 8.7775 123.1655 53.4105 31.7223 173.0788 173 A 4.2991 7.5350 116.7075 50.1733 22.1429 173.8356 174 P 4.5880 0.0000 0.0000 62.4675 32.1567 176.6400 175 V 4.1240 8.6408 117.7184 61.1489 32.9272 174.7831 176 G 2.7711 7.2778 107.4951 43.7072 0.0000 173.2524 177 K 4.8801 6.7090 117.6930 54.0023 35.4214 176.9031 178 A 4.1174 8.6463 122.9348 54.7092 18.3612 179.3769 179 S 4.3309 7.8636 109.8041 60.6297 63.5682 175.2350 180 F 4.0074 7.8912 118.5152 57.0632 39.5249 174.0486 181 P 4.4050 0.0000 0.0000 61.9029 33.0137 175.8711 182 P 4.2007 0.0000 0.0000 66.2476 30.4932 178.6453 183 E 4.0062 8.0638 116.6394 58.8212 29.5749 179.0222 184 K 4.0824 7.9371 119.1473 58.9698 32.1608 179.1410 185 L 3.9761 7.9290 118.8478 57.7469 41.5520 179.3046 186 A 4.0112 7.8062 120.8314 55.2552 18.1959 179.4708 187 D 4.3726 7.9031 116.7168 57.6579 40.8801 178.7185 188 N 4.4462 8.0511 117.0724 56.0203 38.4581 177.6949 189 I 3.7613 8.0036 121.5134 64.5137 37.2387 178.7009 190 R 3.9052 8.0463 118.6587 59.2573 29.7894 179.0028 191 A 4.1126 8.2677 120.6667 55.0466 18.3250 179.5215 192 F 4.1741 8.1477 118.8592 61.3387 39.4404 177.6436 193 I 3.3563 7.8781 119.5413 64.4457 36.6878 178.7307 194 R 4.1518 8.4458 119.1581 58.4690 29.9724 178.6839 195 A 4.2193 7.6225 121.0457 54.9325 18.2772 179.7337 196 L 4.0434 7.5941 117.5932 58.0199 41.2180 179.5411 197 E 3.7403 8.4150 118.0536 58.8058 29.0781 178.9488 198 A 4.1042 7.4738 118.5109 54.1631 18.5185 177.5616 199 H 4.5951 7.7703 113.7195 55.3780 28.8959 175.2418 200 K 3.0281 7.2670 121.3814 54.9076 32.6249 174.6642 201 P 4.0981 0.0000 0.0000 62.7537 31.8154 175.2238 202 E 4.0916 8.6299 122.0173 57.9812 29.4808 175.6079 203 G 4.2291 9.0422 115.1987 45.3938 0.0000 173.4010 204 A 3.9889 7.0398 120.1327 52.1511 18.5593 176.8201 205 K 4.4571 8.9656 122.8936 54.0278 33.6901 176.8725 206 G 3.9373 7.9021 110.0792 45.6526 0.0000 172.4725 207 T 4.2276 7.8993 116.4560 62.8109 67.3236 174.4556 208 F 4.2857 8.8565 130.1317 60.4550 40.8579 173.8211 209 L 4.4756 7.8488 119.3259 53.1527 41.1185 177.1680 210 R 4.0857 8.6439 122.4244 58.4736 30.1273 176.9840 211 S 4.7034 7.8785 113.7368 56.6169 67.4887 172.6802 212 V 4.8553 7.8857 122.2027 61.4053 34.8830 173.5974 213 Y 5.2298 9.3004 124.6714 56.2241 42.3872 174.2908 214 V 4.8877 8.9784 123.6628 61.5145 34.0928 174.2915 215 T 4.9348 8.8419 121.2756 61.3454 71.2808 172.6581 216 T 5.2040 8.5312 115.9896 59.6898 71.0247 175.7511 217 T 4.0633 8.5670 111.2974 64.2248 68.9635 175.1196 218 M 4.7678 8.1438 120.0304 54.6502 32.5807 174.9476 219 G 4.3540 8.0942 106.3601 41.5601 0.0000 170.9923 220 P 4.5444 0.0000 0.0000 62.0449 32.2539 175.6743 221 S 4.5257 8.2355 113.8335 57.8682 63.7484 173.6072 222 V 4.3794 8.3723 124.5984 60.9223 34.3006 174.3994 223 R 4.4533 8.8689 129.7915 56.1023 31.0207 175.1156 224 I 5.1476 8.0180 119.2744 58.9060 41.0474 174.7909 225 N 4.7062 9.4546 123.6573 52.2610 39.1458 173.8495 226 P 4.5347 0.0000 0.0000 64.4366 31.6852 176.3397 227 H 4.9103 8.1541 116.2065 55.6478 29.0289 174.9866 228 S 4.3251 7.5922 119.1735 58.4985 62.8699 173.5894 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 8.20 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 0.00 0.00 0.00 5 K 8.61 3.96 0.00 2.09 2.10 0.00 1.52 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.58 7.81 6 R 8.13 3.92 0.00 1.86 2.06 0.00 3.47 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 7 Y 7.97 4.25 0.00 3.09 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 8 R 8.06 4.00 0.00 1.90 1.97 0.00 3.22 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 9 A 7.65 4.10 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 10 L 7.63 4.11 0.00 1.70 1.54 0.91 0.56 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 11 L 7.27 3.96 0.00 1.85 1.65 0.36 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.01 4.11 0.00 1.92 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 2.28 2.45 0.00 13 K 7.43 4.11 0.00 1.90 1.83 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 14 V 7.11 4.00 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 0.85 0.00 0.00 0.91 0.00 0.00 15 D 9.59 4.53 0.00 2.76 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 16 P 0.00 4.27 0.00 2.09 2.12 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 17 N 7.84 5.00 0.00 2.68 2.80 0.00 0.00 6.67 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.56 4.28 0.00 1.52 1.40 0.00 1.46 0.00 0.00 0.88 0.00 0.00 2.66 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.56 1.03 7.81 19 I 7.94 4.41 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.67 0.88 0.00 0.00 20 Y 8.88 4.55 0.00 2.96 2.90 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 21 T 8.97 4.61 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 22 I 8.35 3.81 1.89 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 1.53 0.87 0.93 0.00 0.00 23 D 8.08 4.46 0.00 2.81 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 24 E 8.19 4.23 0.00 2.42 2.26 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 2.42 2.40 0.00 25 A 8.16 3.90 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.73 3.90 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 27 H 7.79 4.39 0.00 3.34 3.36 0.00 5.82 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 28 L 7.83 3.94 0.00 1.76 1.52 0.83 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.92 3.60 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 0.84 0.00 0.00 0.88 0.00 0.00 30 K 7.29 4.11 0.00 1.92 1.89 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.58 7.81 31 E 7.65 4.18 0.00 2.07 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 2.33 2.55 0.00 32 L 7.38 4.54 0.00 1.50 1.60 0.82 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.28 4.75 1.15 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 0.00 0.00 0.00 0.00 0.00 34 T 8.36 4.35 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 1.18 0.00 0.00 35 A 8.20 4.59 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 36 K 7.14 4.28 0.00 1.92 1.96 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.59 7.81 37 F 7.59 4.84 0.00 3.12 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 38 D 8.93 4.17 0.00 2.66 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 39 E 8.26 4.07 0.00 1.78 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 40 T 8.45 4.44 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 41 V 8.46 4.36 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 0.91 0.00 0.00 0.87 0.00 0.00 42 E 9.41 5.11 0.00 1.87 1.63 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 0.00 2.13 2.16 0.00 43 V 8.14 4.87 1.97 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 1.18 0.00 0.00 0.92 0.00 0.00 44 H 9.81 5.46 0.00 3.23 3.29 0.00 5.80 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 45 A 9.11 5.14 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.02 4.44 0.00 1.87 1.74 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.58 7.81 47 L 8.90 4.14 0.00 1.53 1.07 0.94 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.65 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 49 I 6.96 3.99 1.94 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 1.25 0.47 1.13 0.00 0.00 50 D 8.32 4.54 0.00 2.65 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.53 0.00 2.33 2.14 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 52 R 7.67 4.56 0.00 1.94 2.05 0.00 3.07 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.56 0.00 53 R 7.85 4.10 0.00 1.85 2.08 0.00 3.38 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 54 S 8.71 4.28 0.00 3.84 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 55 D 7.99 4.81 0.00 2.81 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 56 Q 7.85 4.42 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 57 N 7.73 5.04 0.00 2.69 2.71 0.00 0.00 7.06 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 58 V 8.37 4.48 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 1.07 0.00 0.00 1.17 0.00 0.00 59 R 7.44 5.37 0.00 1.80 1.70 0.00 3.13 0.00 0.00 3.85 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.43 0.00 60 G 7.24 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 61 T 8.58 5.72 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 62 V 8.20 4.51 2.38 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 1.08 0.00 0.00 1.05 0.00 0.00 63 S 8.92 4.61 0.00 3.82 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 64 L 8.12 4.18 0.00 1.74 1.82 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.35 0.00 1.91 2.15 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.02 0.00 66 H 8.53 4.87 0.00 3.41 3.44 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.11 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 0.00 0.00 0.00 *159 G 8.16 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 8.81 5.66 0.00 1.88 1.98 0.00 2.59 0.00 0.00 3.95 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 161 I 8.24 4.64 1.90 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.96 0.93 0.00 0.00 162 E 8.87 4.93 0.00 1.87 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 2.24 2.29 0.00 163 F 8.50 5.12 0.00 3.23 3.18 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 0.00 164 R 8.69 5.26 0.00 1.80 1.89 0.00 3.05 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 165 N 8.87 4.59 0.00 2.81 2.99 0.00 0.00 6.96 7.37 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 0.00 166 D 8.55 4.52 0.00 2.91 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 0.00 167 K 8.72 4.12 0.00 1.76 1.85 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.49 7.81 168 T 8.40 4.28 4.26 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 1.22 0.00 0.00 169 G 8.38 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 0.00 170 A 7.56 5.13 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 0.00 171 I 8.86 4.87 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.83 1.00 0.00 0.00 172 H 8.78 5.98 0.00 2.94 3.22 0.00 5.22 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 0.00 173 A 7.54 4.30 0.31 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 0.00 174 P 0.00 4.59 0.00 1.99 2.00 0.00 3.57 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 175 V 8.64 4.12 1.97 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 0.53 0.00 0.00 0.84 0.00 0.00 176 G 7.28 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 0.00 0.00 0.00 177 K 6.71 4.88 0.00 2.03 2.04 0.00 1.64 0.00 0.00 1.83 0.00 0.00 3.15 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.52 7.81 178 A 8.65 4.12 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 S 7.86 4.33 0.00 4.03 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 0.00 180 F 7.89 4.01 0.00 3.13 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 0.00 181 P 0.00 4.41 0.00 2.15 1.99 0.00 3.50 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 2.01 2.07 0.00 182 P 0.00 4.20 0.00 1.95 2.02 0.00 3.67 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 2.04 2.00 0.00 183 E 8.06 4.01 0.00 2.19 2.25 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 2.35 2.34 0.00 184 K 7.94 4.08 0.00 1.97 1.72 0.00 1.51 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.21 1.42 7.81 185 L 7.93 3.98 0.00 1.87 1.68 0.95 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 186 A 7.81 4.01 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 0.00 187 D 7.90 4.37 0.00 3.08 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 0.00 188 N 8.05 4.45 0.00 2.87 2.84 0.00 0.00 7.02 7.38 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 0.00 189 I 8.00 3.76 2.01 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 1.74 0.85 0.95 0.00 0.00 190 R 8.05 3.91 0.00 1.90 1.99 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 191 A 8.27 4.11 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 0.00 192 F 8.15 4.17 0.00 3.01 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 0.00 193 I 7.88 3.36 1.94 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 1.44 0.54 0.83 0.00 0.00 194 R 8.45 4.15 0.00 1.77 1.98 0.00 3.13 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 195 A 7.62 4.22 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.59 4.04 0.00 1.73 1.83 0.23 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 197 E 8.41 3.74 0.00 2.10 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 0.00 2.38 2.51 0.00 198 A 7.47 4.10 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 0.00 199 H 7.77 4.60 0.00 3.37 3.43 0.00 5.86 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 K 7.27 3.03 0.00 0.98 1.35 0.00 1.66 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 1.13 7.81 201 P 0.00 4.10 0.00 2.16 2.05 0.00 3.89 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 202 E 8.63 4.09 0.00 1.94 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 0.00 2.29 2.24 0.00 203 G 9.04 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 0.00 204 A 7.04 3.99 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 0.00 205 K 8.97 4.46 0.00 1.76 1.74 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.60 7.81 206 G 7.90 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 0.00 207 T 7.90 4.23 4.26 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 1.24 0.00 0.00 208 F 8.86 4.29 0.00 3.14 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 0.00 209 L 7.85 4.48 0.00 1.56 1.55 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 210 R 8.64 4.09 0.00 1.80 1.95 0.00 3.30 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 211 S 7.88 4.70 0.00 3.86 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 0.00 212 V 7.89 4.86 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 1.02 0.00 0.00 0.86 0.00 0.00 213 Y 9.30 5.23 0.00 2.96 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 0.00 214 V 8.98 4.89 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.95 0.00 0.00 215 T 8.84 4.93 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 1.24 0.00 0.00 216 T 8.53 5.20 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 1.15 0.00 0.00 217 T 8.57 4.06 4.35 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 1.26 0.00 0.00 218 M 8.14 4.77 0.00 2.06 2.38 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.85 0.00 219 G 8.09 4.35 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 0.00 220 P 0.00 4.54 0.00 2.07 1.72 0.00 3.68 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.84 0.00 221 S 8.24 4.53 0.00 3.83 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 0.00 222 V 8.37 4.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.78 0.00 0.00 223 R 8.87 4.45 0.00 1.80 1.78 0.00 2.79 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.20 0.00 224 I 8.02 5.15 1.90 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 1.10 1.13 1.00 0.00 0.00 225 N 9.45 4.71 0.00 2.84 2.77 0.00 0.00 7.21 8.09 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 0.00 226 P 0.00 4.53 0.00 2.05 2.06 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 227 H 8.15 4.91 0.00 3.30 3.33 0.00 5.59 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 S 7.59 4.33 0.00 3.99 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 * Residues marked with a * may have inaccurate shift predictions.