NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4835 8.3349 115.2798 58.3007 63.4596 173.3652 3 F 4.6494 10.0362 125.0367 58.1800 40.2222 176.8820 4 I 3.9381 8.2868 121.9898 64.0214 37.9510 177.3140 5 K 3.4063 7.5677 120.5012 59.3112 31.7295 176.5656 6 P 4.4725 0.0000 0.0000 64.1895 31.4906 176.8182 7 I 4.4730 8.2996 110.7209 59.9890 38.7379 176.2707 8 Y 4.2610 8.0037 126.1704 62.2064 38.3718 179.0182 9 Q 3.8467 8.1847 123.0317 60.8824 28.2479 180.6784 10 D 4.5057 7.9262 122.9992 58.1932 39.8150 180.2485 11 I 4.0538 7.6796 114.2900 63.0702 37.7437 177.7702 12 N 4.1834 7.9721 119.8619 56.2783 38.4068 176.8060 13 S 3.9648 7.5645 113.8891 61.5875 62.6805 176.0809 14 I 3.7044 7.2878 120.6830 63.8989 36.9162 178.2999 15 L 4.5685 7.6940 120.1131 56.7334 41.6330 176.1880 16 I 3.9574 7.1910 121.3678 65.7933 36.4189 174.7151 17 G 3.9368 8.7336 116.0504 45.6865 0.0000 173.3068 18 Q 4.3497 8.6984 119.7823 56.5778 29.9919 176.2741 19 K 5.2138 8.6082 119.6412 54.8910 35.9394 176.0830 20 V 4.4334 8.6119 118.1868 59.8403 35.8735 175.7519 21 K 4.6417 8.4313 127.1853 53.9940 32.4520 176.3599 22 R 3.8709 8.3644 125.3132 55.6973 30.5002 175.9591 23 P 4.3805 0.0000 0.0000 62.9740 31.8818 176.6402 24 K 4.0880 8.4807 118.7656 55.0864 29.7517 169.4475 25 S 4.1248 8.3079 123.1410 57.7526 62.5413 175.1429 *30 G 3.9519 8.0651 110.6193 44.5779 0.0000 170.2562 31 H 4.5914 8.0620 116.1243 56.9036 36.0112 172.2831 32 A 3.7643 7.7592 115.1371 53.0360 17.8376 180.2504 33 A 3.8812 9.3882 125.6321 54.1144 17.9627 180.5956 34 G 3.8386 7.8911 100.1199 44.5714 0.0000 174.9747 35 E 3.9410 8.0790 122.5345 59.1076 29.5632 176.6995 36 P 4.1203 0.0000 0.0000 65.6740 31.0911 178.5361 37 F 4.1839 7.7876 116.4301 60.4543 38.8694 176.8603 38 E 4.0958 8.4864 121.5224 60.3518 29.3591 179.9425 39 K 4.0868 8.0106 122.7738 59.5494 31.8180 180.4847 40 L 3.8178 7.8821 120.7374 57.8510 41.7239 179.3114 41 V 3.7118 7.9449 117.9698 66.1306 31.8733 176.8412 42 Y 4.2320 7.9466 119.2617 60.8529 38.4728 178.0265 43 K 3.7673 8.1313 120.1407 59.3198 31.9523 177.5569 44 F 5.2887 7.6514 115.8064 57.7926 40.1019 176.3726 45 L 4.5799 7.6926 120.1390 56.1513 45.1500 178.2561 46 K 3.9384 8.3425 119.5624 58.6186 32.4608 178.7396 47 E 3.9700 8.1075 117.6723 59.2409 29.7436 177.5780 48 N 4.6164 8.0329 114.1046 54.8796 39.3882 175.3128 49 L 4.8215 8.0589 119.1740 54.9135 43.3432 179.2793 50 S 4.1685 8.1449 114.1003 61.8074 62.9870 176.1811 51 D 4.4803 7.9100 118.5912 55.1237 41.0219 176.6738 52 L 4.6835 8.1662 119.0543 55.4979 44.0252 176.5185 53 T 4.6468 7.0370 114.9633 62.8950 69.0880 174.5586 54 F 5.0515 9.0861 123.8053 55.9535 44.2615 174.2803 55 K 4.4820 8.4123 118.8757 55.3640 33.2646 178.0602 56 Q 3.9859 8.7029 122.3845 59.8149 28.8769 178.7129 57 Y 4.2091 7.8400 118.0643 60.0729 38.0740 177.6033 58 E 4.0585 7.4538 120.7213 59.1603 29.7492 178.0871 59 Y 3.6216 8.1227 119.6008 60.5154 38.8453 177.8160 60 L 3.5077 7.6366 120.0030 57.6787 41.6547 179.1560 61 N 4.4754 8.2507 116.2108 56.6355 38.6492 176.9169 62 D 4.3883 8.1240 119.9789 57.5305 40.7495 178.9008 63 L 3.6641 7.5457 119.5472 58.1330 42.3059 178.7420 64 F 4.2180 8.1097 118.0689 60.3827 38.4337 177.5597 65 M 4.4306 8.3824 118.2882 57.9621 31.9640 177.8680 66 K 4.5762 7.7402 116.9363 56.4780 35.4447 177.2424 67 N 5.0023 7.9736 113.6187 52.4859 40.0192 174.7437 68 P 4.2637 0.0000 0.0000 65.5222 32.1435 178.0547 69 A 4.0830 8.0609 121.6434 54.2834 18.5507 177.4770 70 I 4.2647 7.1754 109.0593 59.5247 38.9454 174.9296 71 I 4.4633 7.7081 115.6629 59.8059 41.0734 173.9586 72 G 4.0267 8.5908 108.8707 46.2479 0.0000 174.1546 73 H 3.8532 9.1554 119.4346 58.5928 28.2869 177.7915 74 E 4.0767 7.7753 120.4985 59.1995 29.2554 179.0886 75 A 3.9756 7.8258 120.0101 55.3478 18.2982 179.7828 76 R 3.5062 7.6533 115.2858 59.2603 30.1842 178.5784 77 Y 4.8890 8.2503 119.2606 61.4277 37.8922 178.6991 78 K 4.1463 8.0320 124.5606 59.7648 31.5347 182.1504 79 L 4.2025 7.4949 118.8716 58.0682 40.1633 179.4484 80 F 4.1257 8.5764 117.7569 58.2765 38.5979 175.6340 81 N 4.3673 8.2643 113.7597 53.6617 36.7399 174.8346 82 S 4.5167 7.4092 108.2135 56.8085 66.0599 173.2238 83 P 4.1923 0.0000 0.0000 65.9752 31.0781 178.7434 84 T 3.8617 8.1157 114.3374 66.7567 68.3829 176.6158 85 L 3.6685 8.0113 121.0117 57.5183 41.5030 179.3206 86 L 3.0723 7.9413 120.2543 57.9460 41.7504 178.4953 87 F 4.0103 7.7348 118.7672 61.5579 39.3568 176.6324 88 L 3.5449 7.9320 117.7323 57.0070 41.5088 178.7415 89 L 4.4508 8.0309 117.0230 54.0611 43.3947 177.2402 90 S 4.3309 7.0380 112.9539 57.7175 63.8071 173.8097 91 R 4.2696 7.9844 120.7168 54.4317 31.6994 176.5751 92 G 4.0063 8.3459 105.8226 44.7801 0.0000 174.2974 93 K 4.3941 8.8239 120.4576 59.2317 32.3027 178.6915 94 A 4.0609 8.0616 120.3731 55.0305 18.1253 179.3232 95 A 4.1584 8.0220 118.2605 55.7096 18.4098 179.5507 96 T 4.5831 8.3110 114.4564 66.5796 68.2946 176.8362 97 E 3.9622 8.2540 120.9976 59.5630 29.7351 177.3275 98 N 4.7659 8.2300 112.7699 53.1037 38.4651 175.2076 99 W 4.2518 7.7497 128.3761 57.4824 31.4375 175.3454 100 S 4.1352 6.8422 117.2607 56.6277 65.3258 175.5891 101 I 2.8459 7.7280 115.2341 63.3287 37.0795 176.5027 102 E 4.2671 7.2652 116.4619 56.0435 30.2914 176.3789 103 N 4.7560 7.9246 118.5317 52.6181 39.4343 173.4511 104 L 3.9551 7.0885 120.0691 53.7873 43.1529 177.5192 105 F 4.6110 8.7436 119.7044 57.8019 39.3530 174.7142 106 E 4.2677 8.3179 121.9773 53.4971 33.1471 175.0762 107 E 3.7275 7.6654 119.7552 56.8099 29.6727 175.8079 108 K 4.6082 8.4310 126.5032 54.1924 34.8414 176.5675 109 Q 3.9867 8.8651 126.7313 58.9025 29.1217 176.4770 110 N 4.8695 7.8887 112.8468 52.5559 37.7732 174.5587 111 D 4.4156 7.4950 118.6758 55.2109 41.4862 176.6763 112 T 3.8479 8.6569 120.5182 66.0496 68.6138 174.2319 113 A 4.8033 8.5046 121.7941 50.3987 21.7184 175.6364 114 D 4.7280 8.6490 119.4089 56.1497 42.2001 177.3537 115 I 4.9524 8.1884 117.8980 59.2850 41.8869 174.3479 116 L 5.1242 9.0957 127.6208 53.3146 44.8041 174.8099 117 L 5.8819 8.7243 126.3696 52.3467 44.1156 175.6322 118 V 4.5965 8.2342 123.3273 60.8816 34.7059 175.0819 119 K 3.9395 8.9018 130.4167 57.1272 34.9192 175.7441 120 D 4.5156 9.5580 130.0730 55.4213 36.6019 170.9636 121 Q 3.6550 7.9386 114.2944 55.6094 26.6924 174.6166 122 F 5.2914 8.0850 120.8743 57.9618 41.3953 173.8581 123 Y 4.8457 8.9622 124.6769 56.3167 40.3090 174.2885 124 E 4.7096 9.2836 126.2777 54.5003 31.5606 174.8997 125 L 4.3397 9.0993 129.4060 54.0993 42.9005 175.7253 126 L 4.9078 9.0013 127.8670 53.3609 44.1785 174.4432 127 D 5.2210 8.7842 126.3278 52.4403 43.8373 174.5322 128 V 4.9980 9.2361 126.4387 61.4634 33.3422 175.0497 129 K 4.9283 9.3243 126.7741 54.7888 35.6510 175.1756 130 T 5.2713 8.7486 113.8641 60.0730 71.7792 173.5977 131 R 4.4331 8.8617 123.3479 54.5400 33.6604 173.5316 132 N 3.1423 8.4993 125.7306 52.6884 39.2476 174.1959 133 I 4.0612 7.4618 119.6389 61.1574 37.9515 177.2084 134 S 4.2981 7.8174 118.3772 60.0961 63.0540 173.8120 135 K 4.4708 7.1287 117.8689 55.1170 35.3496 175.9442 136 S 4.2690 8.5014 114.8864 57.3851 61.8779 172.9810 137 A 4.7839 8.0441 129.6708 49.6550 21.8451 175.0923 138 Q 4.1496 8.3320 119.8623 55.5486 29.7675 175.5803 139 A 3.8420 8.2129 124.1943 51.3927 18.9272 175.7253 140 P 4.5478 0.0000 0.0000 61.8103 33.6568 175.1229 141 N 4.2755 8.5706 118.1016 54.2548 38.3798 174.3482 142 I 3.8645 8.1112 124.6238 62.0113 38.1058 175.6177 143 I 4.3791 6.9204 119.5412 59.7195 41.6415 172.9892 144 S 4.4696 8.6018 121.7584 58.1055 63.1043 175.0612 145 A 4.2739 9.9040 131.9792 54.9011 18.0830 179.2472 146 Y 4.0934 8.1236 117.7487 60.6232 39.0066 177.7419 147 K 3.8586 8.3178 120.6872 59.5107 32.2506 178.6083 148 L 3.9722 7.9321 118.9403 57.7480 41.5300 179.1567 149 A 4.0946 7.9037 120.5606 55.6674 18.2010 179.8612 150 Q 3.7783 7.9547 116.1478 58.9319 28.5934 179.2335 151 T 3.8994 7.9699 117.0373 66.7903 68.5720 176.3824 152 C 4.1795 8.5513 118.8210 62.9855 28.1688 176.0726 153 A 4.0517 8.0292 122.0617 55.3406 17.9913 179.9090 154 K 3.8936 7.9969 116.8753 59.7302 32.1304 179.5972 155 M 4.0007 8.5459 119.5312 58.2955 31.4150 178.9316 156 I 4.0299 8.2702 120.4403 64.5150 37.1216 178.1642 157 D 4.4319 8.2488 118.8924 57.0181 40.7878 177.7811 158 N 4.6535 7.8937 113.1346 51.6263 39.1852 174.9180 159 K 2.9211 7.1139 117.4984 57.2412 30.5580 176.3889 160 E 4.1976 7.0232 117.5746 55.1114 27.9076 176.7976 161 F 5.0156 7.5430 115.2758 57.1045 39.8980 176.0407 162 D 4.9171 7.7104 119.9959 53.8723 41.2567 175.1861 163 L 5.1164 7.8196 120.3001 55.2224 45.3112 175.5847 164 F 4.7655 7.4481 110.1634 56.0518 40.3252 173.0863 165 D 5.1779 8.7488 120.3572 52.8262 44.8227 175.5917 166 I 4.7462 7.7372 119.5758 59.8546 39.8513 174.2830 167 N 5.0465 8.8715 124.6747 51.3602 42.2208 173.5353 168 Y 5.0371 8.2978 117.6050 56.2641 42.4504 174.8176 169 L 5.1921 8.9171 123.0777 53.7733 45.7064 174.4338 170 E 5.1764 9.6217 128.7946 54.8153 31.7700 174.8674 171 V 4.8394 9.0892 126.5616 60.1460 34.1660 174.1246 172 D 5.2833 9.2107 126.5110 52.6086 42.9433 175.7148 173 W 5.7199 8.0993 118.6763 55.1317 32.3529 173.3025 174 E 4.8934 9.1897 117.3690 54.6458 33.1152 173.8257 175 L 4.6706 7.9555 123.2796 54.8577 42.9897 176.6451 176 N 4.8983 8.9602 124.2878 52.5741 40.6438 174.5453 177 G 4.0713 8.4294 115.4963 44.4224 0.0000 173.0758 178 E 4.5449 8.9630 126.6883 55.8355 30.7996 173.5187 179 D 5.2735 7.9888 118.4991 53.4043 44.3176 174.7963 180 L 5.1916 9.2660 121.5847 53.2154 44.0619 176.1000 181 V 5.1841 9.0017 123.6074 59.7022 34.3034 174.6786 182 C 4.6691 9.0338 125.9403 59.8799 31.9737 174.0315 183 V 4.5123 8.7993 117.7344 61.3564 33.8651 175.1351 184 S 4.6639 7.6865 113.1604 58.0216 65.7350 173.1372 185 T 5.3947 8.3277 118.4270 62.7101 73.1002 173.5667 186 S 4.8752 9.0031 117.1141 58.1985 67.7867 173.6369 187 F 5.3168 8.3334 125.6174 56.6707 42.0383 173.7531 188 A 4.2953 6.9213 123.1209 50.9981 23.1347 174.8212 189 E 4.8266 8.6809 118.8335 53.4172 32.3559 177.3402 190 L 3.8300 8.4053 126.6668 58.3958 42.2573 178.5748 191 F 3.5636 7.1631 113.1836 57.5426 38.5116 175.9412 192 K 4.6240 7.8868 120.7322 56.1999 33.2700 176.4035 193 S 5.2902 7.6776 112.9492 55.6766 64.7146 173.8921 194 E 4.1491 9.1198 122.4324 55.1313 28.1756 175.2922 195 P 4.0565 0.0000 0.0000 65.5409 30.9780 178.7728 196 S 3.8045 7.9249 114.5017 60.8649 63.1496 175.0820 197 E 4.4775 8.0384 116.0914 55.3491 29.6482 180.6857 198 L 4.3754 7.4256 119.8554 55.6635 42.1860 175.9290 199 Y 4.3592 8.8208 125.6135 57.2266 40.1201 173.7452 200 I 4.1772 7.4988 127.6275 59.6572 39.1055 175.2274 201 N 4.4412 8.5319 127.7929 51.7441 38.6136 175.4899 202 W 4.1849 8.6692 125.7930 59.6135 29.6775 178.5636 203 A 3.9932 8.5437 118.9881 55.4401 18.3425 178.8956 204 A 4.2442 8.2672 119.0615 52.1536 16.8913 177.5280 205 A 3.8739 8.2255 116.8715 53.3631 16.3075 177.6310 206 M 3.0833 7.7332 115.0083 56.8619 30.4328 176.6730 207 Q 4.5294 7.4596 116.3570 54.8165 31.0220 176.0753 208 I 4.2255 8.9639 124.8051 61.5117 38.5036 175.0538 209 Q 4.9131 9.0964 125.1554 52.9653 31.4161 174.7535 210 F 4.9239 7.9446 117.0638 56.2888 41.0023 172.9136 211 H 4.7313 8.8123 117.2016 54.6172 29.7247 176.5658 212 V 3.7252 8.9785 123.2530 66.0301 31.6080 178.1909 213 R 4.0710 8.1794 115.3783 58.9853 29.3089 177.5025 214 D 4.3995 7.9705 117.5372 55.7267 41.2297 176.2999 215 L 3.5809 7.1156 119.9332 54.8813 42.2183 176.4946 216 D 4.5459 8.5344 125.7955 53.7529 39.9619 176.4751 217 Q 5.0623 8.5902 119.9327 56.1239 29.6474 176.1557 218 G 4.1242 8.1798 104.0720 45.1181 0.0000 174.2431 219 F 4.7515 8.7596 122.0549 57.6432 39.6915 174.7225 220 N 4.6222 7.9612 122.8597 52.2985 38.2637 174.7499 221 G 3.5239 5.3800 108.0897 44.6326 0.0000 173.3296 222 T 4.3263 8.7628 111.2125 60.6846 71.4090 175.4498 223 R 3.8782 8.2491 119.5545 59.5491 30.0573 177.6984 224 E 3.1714 7.5285 118.5874 59.0950 29.4441 178.5368 225 E 4.0726 7.9577 118.5926 58.6964 29.4729 179.0601 226 W 3.6428 8.2048 128.0147 60.3464 30.7804 177.8992 227 A 4.3599 8.2581 120.7540 55.2324 17.7744 179.7796 228 K 3.9717 8.1467 117.0531 59.7775 32.1632 179.6443 229 S 4.1163 8.2296 113.3065 61.1621 61.6995 175.5757 230 Y 3.7458 7.7764 122.6539 60.4080 38.5070 177.6180 231 L 4.0809 8.0838 119.9990 57.4770 41.5759 179.7834 232 K 3.9461 7.8579 118.2863 59.8367 32.0870 178.7864 233 H 4.0796 8.0405 118.4690 59.2135 29.6115 177.0771 234 F 3.9383 8.2203 122.8640 61.0409 39.2785 177.4775 235 V 3.4910 7.8979 117.9028 66.2360 31.3418 178.0361 236 T 3.8089 8.0103 115.5612 66.9501 68.3477 176.7283 237 Q 4.0415 8.0352 119.4325 58.5341 28.7345 178.6909 238 A 2.8956 7.6375 122.1995 54.7359 18.3429 179.5350 239 E 3.7367 7.9751 117.0576 59.5040 29.5225 179.5464 240 Q 3.8739 7.8469 118.0688 59.0072 28.7091 178.8991 241 R 4.1394 7.9716 120.6861 58.7324 29.4229 178.3990 242 A 3.8204 7.5469 120.3240 55.0010 18.3761 179.7725 243 I 3.4819 7.4980 118.5687 64.5563 37.3229 178.8981 244 S 4.1110 8.4316 115.5153 61.5461 62.8056 176.3524 245 M 3.8558 8.2382 122.6143 58.2970 31.6440 178.7524 246 I 3.9281 7.4940 122.0719 64.8524 36.9637 178.7144 247 D 4.3531 7.3532 120.5654 57.3846 39.8904 181.0679 248 K 4.2830 7.9442 118.9994 57.2372 32.5649 177.4803 249 F 5.4430 8.4431 115.3439 57.0445 40.8004 175.8563 250 V 4.3599 7.6836 115.6375 64.2875 33.1251 176.7335 251 K 3.7860 8.1801 119.9464 59.0993 31.9702 176.4637 252 P 4.3217 0.0000 0.0000 63.7078 31.5854 176.2153 253 F 5.2004 8.1889 117.1468 57.3360 40.8316 177.3304 254 K 4.0901 7.9048 120.7315 59.1927 31.9167 178.9803 255 K 3.9076 7.9563 116.1579 58.9004 32.3394 176.7073 256 Y 4.5209 7.8276 118.8898 58.9331 38.2543 176.3748 *257 I 4.0446 7.9378 124.4928 60.1673 36.2901 179.7213 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 8.33 4.48 0.00 4.04 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 3 F 10.04 4.65 0.00 3.17 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 4 I 8.29 3.94 1.62 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.88 0.00 0.00 5 K 7.57 3.41 0.00 1.62 1.75 0.00 1.30 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.54 7.81 6 P 0.00 4.47 0.00 2.09 2.12 0.00 3.82 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 2.08 2.15 0.00 7 I 8.30 4.47 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.81 0.91 0.00 0.00 8 Y 8.00 4.26 0.00 2.79 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 9 Q 8.18 3.85 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.00 0.00 10 D 7.93 4.51 0.00 2.68 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 11 I 7.68 4.05 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.75 0.93 0.00 0.00 12 N 7.97 4.18 0.00 2.00 2.61 0.00 0.00 6.65 7.70 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 13 S 7.56 3.96 0.00 3.84 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 14 I 7.29 3.70 1.59 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.25 0.04 0.00 0.00 15 L 7.69 4.57 0.00 1.80 1.81 1.08 1.22 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 16 I 7.19 3.96 1.87 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 1.24 0.55 0.92 0.00 0.00 17 G 8.73 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 18 Q 8.70 4.35 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.69 0.00 0.00 0.00 0.00 0.00 2.79 2.82 0.00 19 K 8.61 5.21 0.00 1.62 1.69 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.65 7.81 20 V 8.61 4.43 1.70 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 0.17 0.00 0.00 0.28 0.00 0.00 21 K 8.43 4.64 0.00 1.54 1.59 0.00 1.73 0.00 0.00 1.18 0.00 0.00 2.67 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 0.85 7.81 22 R 8.36 3.87 0.00 2.01 1.87 0.00 3.30 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 23 P 0.00 4.38 0.00 2.18 2.02 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 24 K 8.48 4.09 0.00 1.80 1.70 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.04 7.81 25 S 8.31 4.12 0.00 3.85 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 *30 G 8.07 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 31 H 8.06 4.59 0.00 3.08 3.16 0.00 5.79 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 32 A 7.76 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 9.39 3.88 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.65 3.51 0.00 1.44 1.29 0.00 2.79 0.00 0.00 2.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.05 0.00 77 Y 8.25 4.89 0.00 3.22 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 78 K 8.03 4.15 0.00 1.75 1.82 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.36 7.81 79 L 7.49 4.20 0.00 1.74 1.66 0.62 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.58 4.13 0.00 3.37 3.15 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 81 N 8.26 4.37 0.00 2.95 2.95 0.00 0.00 6.80 6.99 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 82 S 7.41 4.52 0.00 3.92 3.69 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 0.00 0.00 0.00 83 P 0.00 4.19 0.00 2.15 2.04 0.00 3.84 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.17 0.00 84 T 8.12 3.86 4.33 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 1.29 0.00 0.00 85 L 8.01 3.67 0.00 1.60 1.58 0.16 0.14 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 86 L 7.94 3.07 0.00 1.55 1.78 0.24 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 87 F 7.73 4.01 0.00 2.87 3.17 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 88 L 7.93 3.54 0.00 1.46 1.32 0.77 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.03 4.45 0.00 1.68 1.74 0.71 0.55 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 90 S 7.04 4.33 0.00 3.76 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 91 R 7.98 4.27 0.00 1.57 1.87 0.00 3.29 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.77 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 7.73 2.85 1.74 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.42 0.89 0.00 0.00 102 E 7.27 4.27 0.00 1.96 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 2.05 2.25 0.00 103 N 7.92 4.76 0.00 2.49 2.37 0.00 0.00 7.20 6.54 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 0.00 104 L 7.09 3.96 0.00 1.62 1.78 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.74 4.61 0.00 3.29 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.32 4.27 0.00 1.81 1.61 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 2.00 2.13 0.00 107 E 7.67 3.73 0.00 1.63 1.70 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 2.27 2.38 0.00 108 K 8.43 4.61 0.00 1.73 1.77 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.33 7.81 109 Q 8.87 3.99 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.31 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 110 N 7.89 4.87 0.00 2.84 2.87 0.00 0.00 6.04 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 0.00 111 D 7.49 4.42 0.00 2.70 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 8.66 3.85 4.10 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 1.05 0.00 0.00 113 A 8.50 4.80 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.65 4.73 0.00 2.82 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 0.00 115 I 8.19 4.95 1.96 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.12 1.13 0.00 0.00 116 L 9.10 5.12 0.00 1.73 1.55 0.84 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.72 5.88 0.00 2.04 1.70 1.08 0.83 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 0.00 118 V 8.23 4.60 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 -0.16 0.00 0.00 0.50 0.00 0.00 119 K 8.90 3.94 0.00 0.93 1.19 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.33 1.23 7.81 120 D 9.56 4.52 0.00 2.87 2.54 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 0.00 0.00 0.00 0.00 121 Q 7.94 3.66 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.18 1.90 0.00 122 F 8.09 5.29 0.00 3.29 3.37 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 0.00 123 Y 8.96 4.85 0.00 2.77 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 0.00 124 E 9.28 4.71 0.00 2.03 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 2.27 2.29 0.00 125 L 9.10 4.34 0.00 1.71 1.45 0.78 0.08 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 0.00 126 L 9.00 4.91 0.00 1.79 1.71 1.10 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.78 5.22 0.00 2.58 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 0.00 128 V 9.24 5.00 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 1.00 0.00 0.00 1.05 0.00 0.00 129 K 9.32 4.93 0.00 1.73 1.69 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.28 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.49 7.81 130 T 8.75 5.27 4.73 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 1.48 0.00 0.00 131 R 8.86 4.43 0.00 1.86 1.81 0.00 2.96 0.00 0.00 3.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.56 0.00 132 N 8.50 3.14 0.00 2.26 2.41 0.00 0.00 6.92 7.82 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 0.00 133 I 7.46 4.06 1.74 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 1.09 0.54 0.76 0.00 0.00 134 S 7.82 4.30 0.00 3.78 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.13 4.47 0.00 1.90 1.68 0.00 1.58 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.31 7.81 136 S 8.50 4.27 0.00 3.82 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 0.00 137 A 8.04 4.78 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 0.00 138 Q 8.33 4.15 0.00 2.03 2.02 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 2.33 2.34 0.00 139 A 8.21 3.84 1.12 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 0.00 0.00 140 P 0.00 4.55 0.00 2.06 2.16 0.00 3.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.93 0.00 141 N 8.57 4.28 0.00 2.59 2.93 0.00 0.00 6.85 7.45 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 0.00 142 I 8.11 3.86 1.35 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 -0.36 -0.23 0.00 0.00 143 I 6.92 4.38 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 1.23 1.09 0.92 0.00 0.00 144 S 8.60 4.47 0.00 3.94 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 0.00 145 A 9.90 4.27 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 0.00 146 Y 8.12 4.09 0.00 3.22 3.11 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 0.00 147 K 8.32 3.86 0.00 1.87 1.95 0.00 1.61 0.00 0.00 1.45 0.00 0.00 2.57 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.45 7.81 148 L 7.93 3.97 0.00 1.83 1.34 0.61 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 149 A 7.90 4.09 0.72 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 0.00 150 Q 7.95 3.78 0.00 1.84 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 151 T 7.97 3.90 4.53 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 1.47 0.00 0.00 152 C 8.55 4.18 0.00 3.26 3.19 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 0.00 153 A 8.03 4.05 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 0.00 154 K 8.00 3.89 0.00 1.98 1.80 0.00 1.43 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.36 7.81 155 M 8.55 4.00 0.00 2.10 2.44 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.81 0.00 156 I 8.27 4.03 2.08 0.00 0.00 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 1.99 1.54 1.04 0.00 0.00 157 D 8.25 4.43 0.00 2.58 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 0.00 158 N 7.89 4.65 0.00 2.69 2.76 0.00 0.00 7.22 6.89 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 0.00 159 K 7.11 2.92 0.00 1.77 1.72 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.42 1.34 7.81 160 E 7.02 4.20 0.00 1.94 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 0.00 2.20 2.28 0.00 161 F 7.54 5.02 0.00 3.05 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 0.00 162 D 7.71 4.92 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.82 5.12 0.00 1.89 1.75 1.19 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 164 F 7.45 4.77 0.00 3.02 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 0.00 165 D 8.75 5.18 0.00 2.60 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 0.00 166 I 7.74 4.75 1.25 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 1.38 0.92 0.63 0.00 0.00 167 N 8.87 5.05 0.00 2.59 2.35 0.00 0.00 6.56 7.17 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 0.00 168 Y 8.30 5.04 0.00 2.84 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 0.00 169 L 8.92 5.19 0.00 2.01 1.65 1.31 0.90 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 0.00 170 E 9.62 5.18 0.00 2.13 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 2.42 2.30 0.00 171 V 9.09 4.84 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 0.87 0.00 0.00 0.70 0.00 0.00 172 D 9.21 5.28 0.00 2.55 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 W 8.10 5.72 0.00 3.55 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 0.00 174 E 9.19 4.89 0.00 2.03 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 0.00 2.25 2.33 0.00 175 L 7.96 4.67 0.00 1.93 1.73 1.03 0.95 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 0.00 176 N 8.96 4.90 0.00 2.75 2.73 0.00 0.00 7.46 7.26 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 0.00 177 G 8.43 4.07 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 0.00 0.00 0.00 178 E 8.96 4.54 0.00 2.10 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 0.00 2.28 2.37 0.00 179 D 7.99 5.27 0.00 2.67 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 0.00 180 L 9.27 5.19 0.00 1.56 1.68 0.90 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 181 V 9.00 5.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.09 0.00 0.00 182 C 9.03 4.67 0.00 2.99 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 0.00 183 V 8.80 4.51 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 0.87 0.00 0.00 0.96 0.00 0.00 184 S 7.69 4.66 0.00 3.86 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 0.00 185 T 8.33 5.39 4.68 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 1.68 0.00 0.00 186 S 9.00 4.88 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 0.00 187 F 8.33 5.32 0.00 2.09 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 0.00 0.00 0.00 188 A 6.92 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 E 8.68 4.83 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 2.32 1.92 0.00 190 L 8.41 3.83 0.00 1.77 0.91 1.15 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 191 F 7.16 3.56 0.00 2.78 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 0.00 0.00 0.00 0.00 192 K 7.89 4.62 0.00 1.98 1.86 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.51 7.81 193 S 7.68 5.29 0.00 4.15 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 0.00 194 E 9.12 4.15 0.00 2.30 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 0.00 2.36 2.36 0.00 195 P 0.00 4.06 0.00 1.43 0.49 0.00 3.35 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.78 0.00 196 S 7.92 3.80 0.00 3.89 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 0.00 197 E 8.04 4.48 0.00 1.98 1.86 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 2.19 2.13 0.00 198 L 7.43 4.38 0.00 1.88 1.88 1.08 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 199 Y 8.82 4.36 0.00 3.19 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 0.00 200 I 7.50 4.18 1.28 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 1.09 0.60 -0.37 0.00 0.00 201 N 8.53 4.44 0.00 3.02 2.72 0.00 0.00 6.76 8.74 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 0.00 202 W 8.67 4.18 0.00 3.47 3.27 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 0.00 203 A 8.54 3.99 1.42 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 0.00 0.00 204 A 8.27 4.24 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 0.00 205 A 8.23 3.87 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 0.00 206 M 7.73 3.08 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.71 0.00 207 Q 7.46 4.53 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.46 7.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 208 I 8.96 4.23 1.90 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.97 0.95 0.00 0.00 209 Q 9.10 4.91 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.62 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 210 F 7.94 4.92 0.00 2.84 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 H 8.81 4.73 0.00 3.36 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 V 8.98 3.73 2.33 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 1.11 0.00 0.00 1.07 0.00 0.00 213 R 8.18 4.07 0.00 1.99 2.08 0.00 3.08 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 214 D 7.97 4.40 0.00 2.83 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 0.00 215 L 7.12 3.58 0.00 0.63 1.21 0.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 216 D 8.53 4.55 0.00 2.95 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 0.00 217 Q 8.59 5.06 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.44 0.00 0.00 0.00 0.00 0.00 2.36 2.22 0.00 218 G 8.18 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 0.00 0.00 0.00 219 F 8.76 4.75 0.00 3.10 3.21 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 0.00 220 N 7.96 4.62 0.00 2.65 2.75 0.00 0.00 6.10 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 G 5.38 3.52 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 0.00 222 T 8.76 4.33 4.17 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 1.16 0.00 0.00 223 R 8.25 3.88 0.00 1.86 1.86 0.00 2.21 0.00 0.00 2.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 224 E 7.53 3.17 0.00 1.16 1.42 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 2.16 2.04 0.00 225 E 7.96 4.07 0.00 2.37 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 0.00 2.34 2.29 0.00 226 W 8.20 3.64 0.00 3.42 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 0.00 227 A 8.26 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 228 K 8.15 3.97 0.00 1.93 1.89 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.58 7.81 229 S 8.23 4.12 0.00 3.89 3.70 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 0.00 230 Y 7.78 3.75 0.00 2.42 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 L 8.08 4.08 0.00 2.12 1.77 1.15 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 232 K 7.86 3.95 0.00 1.91 1.84 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 233 H 8.04 4.08 0.00 3.20 3.26 0.00 5.78 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 0.00 234 F 8.22 3.94 0.00 2.49 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 0.00 235 V 7.90 3.49 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 0.99 0.00 0.00 1.06 0.00 0.00 236 T 8.01 3.81 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 1.19 0.00 0.00 237 Q 8.04 4.04 0.00 2.16 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 238 A 7.64 2.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 E 7.98 3.74 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 240 Q 7.85 3.87 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 241 R 7.97 4.14 0.00 1.12 1.13 0.00 3.08 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.17 0.00 242 A 7.55 3.82 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 0.00 243 I 7.50 3.48 1.94 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 1.80 1.03 0.86 0.00 0.00 244 S 8.43 4.11 0.00 3.90 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 0.00 245 M 8.24 3.86 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.89 0.00 246 I 7.49 3.93 2.02 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 1.39 0.67 0.90 0.00 0.00 247 D 7.35 4.35 0.00 2.91 2.57 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 0.00 248 K 7.94 4.28 0.00 1.34 0.88 0.00 1.54 0.00 0.00 1.42 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.80 1.25 7.81 249 F 8.44 5.44 0.00 3.17 2.96 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 0.00 250 V 7.68 4.36 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 1.21 0.00 0.00 1.03 0.00 0.00 251 K 8.18 3.79 0.00 1.77 1.96 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.52 7.81 252 P 0.00 4.32 0.00 1.62 1.92 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 253 F 8.19 5.20 0.00 3.28 3.20 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 0.00 254 K 7.90 4.09 0.00 1.92 1.88 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.74 1.56 7.81 255 K 7.96 3.91 0.00 1.61 1.73 0.00 0.67 0.00 0.00 1.23 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.85 0.26 7.81 256 Y 7.83 4.52 0.00 3.22 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 *257 I 7.94 4.04 1.92 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 1.24 0.63 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.