NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 S 4.4620 8.3349 115.4128 58.0886 64.7411 175.4610 19 L 3.6504 8.3157 122.2701 57.8977 41.6806 174.5205 20 N 4.5101 8.7397 123.2132 52.7314 37.5832 171.8977 21 L 5.0000 8.5473 123.9592 52.8481 45.3410 175.6268 22 T 4.7761 9.2708 119.4676 62.0999 70.8543 173.2088 23 I 4.7134 8.8291 128.7843 59.5486 39.4951 175.3692 24 G 4.3208 9.1655 115.3328 45.8695 0.0000 172.5396 25 T 5.3101 8.9463 117.4856 59.7426 71.7815 172.8416 26 S 5.5823 8.5674 119.0007 57.0871 64.2246 174.4016 27 K 4.2970 8.7440 119.2036 59.1743 33.3207 176.9867 28 F 4.6216 7.8941 121.5396 57.8775 41.4440 174.0977 29 N 4.6356 8.4664 123.2197 52.5523 40.9244 171.9503 30 P 4.1226 0.0000 0.0000 61.5654 32.4798 175.1054 31 P 4.2939 0.0000 0.0000 62.7715 31.8484 177.9930 32 F 4.0942 7.9651 119.9536 60.2923 39.1243 174.9853 33 E 5.1935 7.4653 116.5155 55.1728 32.9028 174.1152 34 V 4.2809 8.1559 121.3009 60.0833 34.5562 174.4755 35 W 4.8022 9.1936 135.0000 55.2982 29.2479 176.4017 36 S 4.2766 7.9214 121.4492 57.9260 60.7673 176.1319 37 G 3.0166 6.4976 114.1869 45.8432 0.0000 171.3576 38 N 4.9356 8.0642 117.9036 52.7234 39.3130 175.4953 39 N 4.1522 7.7690 117.4976 56.2151 36.9098 176.0441 40 S 4.5021 8.9925 116.5870 59.4165 64.2135 174.0950 41 S 3.6122 7.9239 114.8181 58.6371 61.8071 170.2854 42 L 5.3261 8.6544 116.6893 52.8054 44.3791 174.5723 43 Y 4.7565 7.7572 116.8509 55.7202 40.9852 173.7232 44 G 4.3780 8.9584 106.1113 42.9104 0.0000 174.4887 45 F 3.0322 7.8951 121.9870 61.1102 38.8536 176.7181 46 D 4.0587 7.8031 116.8233 57.3112 40.6440 178.8306 47 I 3.5080 7.2586 118.5688 64.4550 37.5249 177.6321 48 D 4.5627 8.0975 119.8494 57.2216 40.6334 178.8677 49 L 3.5477 7.5093 116.7129 56.1435 41.6066 178.0406 *51 Q 4.2328 7.9090 119.1196 55.9474 30.8615 176.8262 52 E 3.9932 8.1236 118.0142 59.2515 29.4561 178.8647 53 I 3.7129 7.8888 119.8478 64.7085 37.1589 178.2740 54 C 4.1177 8.0205 117.0334 62.6376 27.9696 176.0032 55 R 3.9173 8.1082 120.5027 59.5450 29.4718 178.8258 56 R 4.0729 7.8805 116.7932 58.7910 30.1989 178.4027 57 L 4.0539 8.0351 117.5450 55.0695 42.2976 176.2380 58 H 4.0969 7.9907 114.3002 57.0780 26.4081 174.4996 59 A 4.9181 8.2595 119.7028 49.9619 22.1750 177.6168 60 T 4.0336 8.5036 111.6865 61.8023 70.5234 172.7774 61 C 4.8384 8.5195 123.8901 57.9188 34.0200 172.8955 62 T 4.5422 8.3730 122.8178 61.7618 71.2517 173.2391 63 F 5.2961 8.7865 124.9094 56.3273 41.2195 175.0441 64 E 4.5977 9.4234 122.6397 54.4476 32.5094 174.1168 65 A 4.8683 8.3458 129.1209 51.4690 19.9938 175.6667 66 Y 4.6681 8.8124 118.8691 55.6633 43.1478 174.9115 67 I 4.0321 8.4814 121.6058 61.7093 38.0788 176.8741 68 F 3.7974 9.2679 129.2954 61.7061 39.6675 177.0600 69 D 4.5308 8.2683 119.1125 56.8268 41.4684 176.7322 70 D 4.6059 8.4709 118.2125 55.5954 41.5200 178.4295 71 L 3.3589 7.5852 120.5356 57.2497 41.3765 179.0898 72 F 3.8906 7.2404 117.4316 60.1119 38.9274 175.8847 73 P 4.3359 0.0000 0.0000 65.5515 31.1316 178.1903 74 A 3.8032 7.6309 120.4974 54.8036 18.1185 179.3411 75 L 3.7506 7.8736 119.0598 58.2512 41.9945 179.0021 76 K 4.0041 8.0346 118.1061 59.4174 32.1254 177.4069 77 N 4.6993 8.2898 114.4248 52.3553 38.5391 175.0913 78 R 3.9125 7.9362 118.0388 57.3131 28.3086 177.6814 79 E 4.1582 8.5827 120.2865 58.4669 29.7124 177.6188 80 V 4.5902 7.3015 109.3726 59.4933 35.3250 174.8426 81 D 4.6614 9.1395 121.6441 56.4060 41.7624 176.7471 82 L 4.7892 7.5836 115.9168 53.2064 46.9173 175.3381 83 V 4.8444 8.1397 119.2169 61.2715 34.1904 174.3480 84 I 4.5601 8.5430 127.1816 59.5412 40.7672 174.3737 85 A 5.4008 9.2453 127.6608 54.4135 19.8909 175.8093 86 S 2.7900 8.7396 109.7897 58.1826 63.5959 172.9138 *88 I 3.9900 7.9740 124.5561 61.0691 38.4165 175.2230 89 I 2.9029 8.1233 128.1710 60.8845 37.9024 175.2278 90 T 4.8230 8.0356 116.3416 59.0852 72.0237 174.7485 91 D 4.3876 8.9186 122.8032 57.5028 41.2002 178.3114 92 E 4.0672 8.2056 119.2714 59.7562 29.6859 179.1796 93 R 4.2428 8.0364 117.4888 59.0158 29.9733 179.0418 94 K 4.8508 8.0646 118.6860 58.2914 32.0463 178.9627 95 K 4.1026 7.9083 118.2733 58.6452 31.9972 177.1083 96 H 4.6552 7.8499 111.9139 54.8457 30.8886 172.5854 97 F 5.2196 8.2084 117.8923 55.7542 43.6426 173.4419 98 I 4.8644 8.3941 113.6608 59.3129 40.1635 174.8030 99 F 5.3438 8.5968 120.5112 55.7069 42.7510 175.0795 100 S 4.7089 9.0481 117.3449 57.2701 64.5082 173.7918 101 L 4.1789 9.3965 120.7336 54.0346 41.8117 175.9438 102 P 4.4885 0.0000 0.0000 63.1935 31.8351 175.6271 103 Y 4.5825 8.1642 119.0264 57.3426 38.3102 174.7866 *105 E 4.1064 7.8429 120.5655 56.3552 30.8235 174.6674 106 S 4.1226 8.0598 119.8373 56.5479 65.4423 172.6011 107 N 5.3758 8.5532 119.9609 51.6845 43.3539 173.7328 108 S 4.9416 9.1773 117.1308 57.2386 66.4035 172.6083 109 Q 4.8395 7.7365 119.7149 55.1573 32.5460 172.5828 110 Y 4.6996 8.7966 124.0053 57.6811 39.6353 174.2469 111 I 5.1561 9.0322 123.1051 60.3077 42.5952 173.6364 112 T 4.8350 8.6970 120.3178 61.4838 71.4435 172.2767 113 T 4.5511 8.4942 111.9118 61.1592 69.7854 176.5156 114 V 3.6714 8.9436 118.1303 64.3866 31.7326 176.8939 115 D 4.7355 7.8971 117.2326 53.1267 39.4636 176.1653 116 S 4.4590 7.7592 114.2191 58.0228 63.0308 174.5685 117 K 4.0866 8.4567 124.6821 58.6671 32.2204 177.4938 118 I 3.7569 7.3651 120.2138 61.8639 36.9481 175.4104 119 S 4.6197 9.0464 121.5260 59.2236 64.8592 174.5399 120 T 4.7831 8.7824 115.6931 61.0052 71.6335 174.7065 121 F 4.0167 8.8170 124.7561 61.3110 39.4930 176.8760 122 D 4.4055 8.1028 118.7513 56.7764 41.2191 176.6574 123 D 4.5014 8.0722 118.2767 56.3798 41.5420 177.1523 124 L 4.1879 7.0204 120.8833 54.0143 39.6736 176.3413 125 H 4.9477 6.8650 113.2040 54.6908 31.8488 174.0574 126 G 4.1715 8.6538 110.0659 46.7638 0.0000 173.2634 127 K 4.6824 8.6816 118.1967 54.1281 36.0827 175.5188 128 K 4.7396 9.7051 121.5572 55.4556 33.5772 176.0491 129 I 4.8290 8.7464 127.7493 59.3406 39.2895 175.6543 130 G 4.2527 9.2665 116.1702 46.2740 0.0000 172.4778 131 V 4.9590 8.9404 123.3700 60.7645 35.8721 174.2525 132 R 4.7111 8.8441 127.7334 55.7092 31.0438 175.6018 133 K 4.2534 9.2294 129.1647 58.2410 32.5913 176.2439 134 G 4.2647 9.1944 114.2080 45.8497 0.0000 173.8031 135 T 4.4540 7.5744 109.0386 60.3802 70.0421 173.3077 136 P 4.5752 0.0000 0.0000 63.7019 31.4906 177.4260 137 Y 4.4758 7.3177 117.6206 61.2738 37.8135 178.0204 138 A 4.0045 8.2031 121.6140 55.1540 18.5822 179.4834 139 R 3.9296 8.0414 116.8343 59.4324 30.3487 178.4320 140 Q 4.0142 8.1311 119.4865 59.0690 28.9015 178.1299 141 V 3.7430 7.8840 118.2484 66.3016 31.8801 177.6991 142 L 4.1806 7.8836 118.3454 57.7450 41.2010 179.6515 143 S 4.2015 8.0970 113.4822 61.4755 63.0153 176.0354 144 E 4.0985 8.1028 119.7195 56.4962 30.2943 176.2589 145 N 4.1788 7.6598 116.2588 54.9712 36.7212 174.4476 146 R 4.5040 7.4431 110.9551 55.5400 31.7513 176.3333 147 N 4.0672 8.0372 114.0320 54.7646 37.4133 172.8399 148 N 5.2226 8.0670 111.6503 51.5889 41.0680 174.4688 149 Q 4.5266 8.6328 123.3382 54.4501 31.1906 174.5751 150 V 4.2304 8.2810 126.7187 62.4513 32.7925 174.9647 151 I 4.2908 8.4306 128.7531 59.2725 39.5006 174.9980 152 F 5.0576 8.5543 126.4715 57.6620 39.9642 174.7733 153 Y 4.7246 9.1351 119.9697 56.4560 40.8407 176.7232 154 E 4.2495 9.4134 123.9239 58.3614 30.1873 177.1597 155 L 4.9574 7.7402 117.6322 52.5691 44.4877 177.2930 156 I 3.6722 8.7227 123.7659 64.7819 37.6565 177.4857 157 Q 4.0282 8.4337 118.7863 59.2933 28.6474 180.5396 158 D 4.6009 7.4602 116.5801 54.3375 40.2597 178.6696 *160 L 4.0023 8.0830 120.9307 54.7697 43.6588 179.4937 161 L 4.0962 7.9577 118.6736 57.5260 41.4817 179.5996 162 G 4.0943 8.1687 107.1241 46.1996 0.0000 174.9479 163 L 4.5298 7.5064 119.5143 56.0970 41.9514 177.3344 164 S 4.6986 8.2066 113.1895 57.8527 63.2826 174.0788 165 N 4.8935 7.9706 117.9853 52.4489 37.4682 174.7444 166 N 4.4457 8.2639 112.4890 55.4987 36.3421 175.6578 167 Q 4.3230 7.8047 118.1109 57.9069 29.3914 176.8465 168 V 4.6513 7.6684 108.0813 59.6603 35.5718 175.2410 169 D 4.6515 8.8306 121.5873 56.6679 41.6291 175.9898 170 A 4.5361 7.3780 118.1982 51.8162 22.5384 174.9539 171 S 5.1480 8.9926 114.2729 56.9380 67.6367 173.2851 172 L 4.8055 8.1077 123.8526 52.3632 43.9589 175.6665 *174 D 4.7365 8.5026 124.5198 54.2373 42.3100 175.0891 175 Y 4.2549 9.1042 125.5725 61.5068 38.7543 178.6753 176 E 3.7801 8.5063 118.2877 59.2614 29.5454 179.4258 177 A 4.1658 8.2508 121.3819 54.6017 18.4481 179.3181 178 A 4.0562 8.1467 118.4332 55.2285 18.5207 179.3928 179 K 3.8753 8.0387 117.5271 59.5514 32.5078 178.0418 180 Y 4.0315 7.8484 119.7311 60.3198 38.5161 179.8101 181 W 4.5643 7.8161 117.6672 56.6755 29.4188 177.1094 *183 A 3.6313 7.9934 121.5537 51.4881 20.2422 178.0017 184 S 4.0704 6.9408 112.2408 58.2277 64.5987 172.8360 185 E 3.5206 8.6252 120.9042 57.7653 27.4393 172.7649 186 P 4.5119 0.0000 0.0000 62.4501 31.9717 175.5605 187 Y 4.8242 8.2546 125.2283 58.2125 41.7777 176.2805 188 A 4.6453 7.5902 121.9907 51.0415 20.3017 174.8539 189 Y 5.3436 8.6884 122.2063 54.9369 36.0827 175.2000 190 K 4.5397 7.3945 121.9645 58.6328 39.5494 177.8188 191 L 4.2119 7.6848 118.6210 55.9687 41.9282 177.4397 192 I 4.2790 7.9500 115.9156 61.2007 40.5148 173.3200 193 G 3.7941 7.5587 104.2757 43.8200 0.0000 171.1544 194 K 5.1961 8.2643 118.3329 54.8281 35.8504 174.8892 195 K 4.4883 8.4298 115.0434 57.5478 37.0181 175.8033 196 Y 5.4370 8.0149 115.6922 56.1363 40.4968 175.4945 197 K 4.8388 9.4380 120.5410 55.3694 36.6014 175.1319 198 L 5.0039 8.6262 121.3321 54.0960 43.2482 176.0501 199 I 4.3736 8.7698 124.1201 60.6431 39.0984 176.9742 200 G 4.0071 9.0565 115.4730 44.8054 0.0000 172.2905 201 K 4.4235 8.0236 118.1804 54.6087 33.3053 177.0849 202 K 4.4410 8.1161 119.4296 56.8783 33.4328 176.1988 203 I 4.4026 8.6780 123.1793 59.2543 39.5621 175.1028 204 S 4.3889 8.6217 122.7318 58.5419 62.9107 173.1725 205 I 4.3682 8.1524 126.7210 60.8248 41.2109 176.0924 206 G 3.8696 8.7297 118.7980 45.1065 0.0000 172.7636 207 E 4.4510 8.5065 117.4581 56.1783 30.1673 177.0394 208 G 3.7767 7.9581 105.1915 44.7045 0.0000 173.1689 209 Y 4.5709 7.7791 117.2106 57.5983 39.2184 174.7186 210 S 4.9746 8.3354 116.6497 57.2703 66.4844 172.7866 211 I 4.5247 8.5577 123.5499 60.3161 39.5944 174.5670 *213 A 4.4490 8.1829 123.8423 51.9875 20.2946 175.8788 214 N 4.9306 8.4375 115.2844 52.2529 39.5113 174.9158 215 P 4.2558 0.0000 0.0000 66.0185 31.4323 177.2267 216 D 4.8011 8.0859 113.9313 54.3322 39.7514 176.6855 217 Q 4.4164 8.1369 119.9182 56.1021 29.9262 177.5888 218 F 4.3124 7.7780 118.9359 59.9281 37.8312 176.7660 219 V 3.5992 6.7191 118.4369 65.7997 31.4384 177.5764 220 L 3.9436 7.6810 119.5941 58.2142 41.9177 178.8041 221 I 3.7809 7.7852 119.7950 64.3522 37.0770 178.5892 222 K 4.0417 8.2669 119.3799 59.3012 31.8718 179.5893 223 K 4.0144 7.9749 118.4252 59.5495 31.9765 179.4562 224 I 3.7736 7.8612 120.0874 64.4687 36.9853 178.2531 225 N 4.4142 8.4882 117.5116 56.2894 38.3575 177.6609 226 K 4.0662 8.0117 119.5046 59.4079 31.8843 179.5505 227 I 3.9768 7.4931 119.0506 64.1804 37.0559 178.1197 228 L 4.1986 7.9055 119.1629 57.8540 41.8050 179.2115 229 L 4.1876 7.9430 118.9080 57.5910 41.5666 179.7989 230 E 4.2385 8.1362 117.7521 56.7221 29.3115 178.8076 *232 E 4.3830 8.2435 120.2783 56.4332 31.6071 177.4606 233 A 4.1457 8.1141 121.2591 54.4560 18.5120 177.7295 234 D 4.6804 8.1943 112.8864 53.0708 39.9772 177.5582 235 G 4.0888 8.2416 109.5613 46.2643 0.0000 175.8730 236 T 3.9281 8.5730 117.1647 66.7700 68.3308 175.8021 237 Y 4.0867 8.0848 120.8920 60.6716 38.9774 177.3969 238 L 3.9897 8.2432 120.8283 58.2105 42.1680 178.6742 239 R 3.9053 8.0912 118.5114 59.4068 29.6689 178.2584 240 L 4.0342 7.9472 120.0400 58.2951 42.1280 178.1685 241 Y 4.0615 8.3632 119.8855 60.9885 38.4997 178.3441 242 S 4.2091 8.4281 115.1010 61.5886 62.9953 175.9761 243 E 3.8619 8.0168 121.1010 58.7779 29.3046 177.5626 244 Y 3.9513 7.0547 113.7395 57.9088 39.0794 175.6837 245 F 4.4129 7.6145 122.6224 57.4212 39.4857 174.8512 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 18 S 8.33 4.46 0.00 3.98 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 19 L 8.32 3.65 0.00 1.70 1.74 0.91 0.75 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 20 N 8.74 4.51 0.00 2.81 2.80 0.00 0.00 7.19 7.78 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 21 L 8.55 5.00 0.00 1.50 1.44 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 22 T 9.27 4.78 4.22 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 1.26 0.00 0.00 23 I 8.83 4.71 1.63 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 1.05 0.61 1.15 0.00 0.00 24 G 9.17 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 0.00 0.00 0.00 0.00 25 T 8.95 5.31 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 1.15 0.00 0.00 26 S 8.57 5.58 0.00 4.11 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 27 K 8.74 4.30 0.00 1.86 2.13 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.98 1.35 7.81 28 F 7.89 4.62 0.00 3.11 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 29 N 8.47 4.64 0.00 2.75 2.58 0.00 0.00 6.84 7.51 0.00 0.00 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 P 0.00 4.12 0.00 0.49 0.81 0.00 3.03 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.24 0.00 31 P 0.00 4.29 0.00 1.92 1.94 0.00 3.21 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 0.00 32 F 7.97 4.09 0.00 3.21 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 7.47 5.19 0.00 1.82 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 2.22 2.38 0.00 34 V 8.16 4.28 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 -0.81 0.00 0.00 0.95 0.00 0.00 35 W 9.19 4.80 0.00 3.24 3.45 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 36 S 7.92 4.28 0.00 4.02 4.09 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 37 G 6.50 3.02 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 38 N 8.06 4.94 0.00 2.87 3.08 0.00 0.00 5.91 8.04 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 39 N 7.77 4.15 0.00 2.94 2.58 0.00 0.00 6.76 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 40 S 8.99 4.50 0.00 3.82 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 41 S 7.92 3.61 0.00 4.10 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 42 L 8.65 5.33 0.00 1.49 1.63 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 7.76 4.76 0.00 3.12 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 44 G 8.96 4.38 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 0.00 45 F 7.90 3.03 0.00 1.78 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 46 D 7.80 4.06 0.00 2.91 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 47 I 7.26 3.51 1.88 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.52 0.73 0.00 0.00 48 D 8.10 4.56 0.00 2.57 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.51 3.55 0.00 0.81 1.19 0.88 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 *51 Q 7.91 4.23 0.00 2.55 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 52 E 8.12 3.99 0.00 2.23 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 2.34 2.43 0.00 53 I 7.89 3.71 1.87 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 1.55 0.73 0.92 0.00 0.00 54 C 8.02 4.12 0.00 3.06 3.16 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 55 R 8.11 3.92 0.00 2.05 2.10 0.00 3.11 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 1.69 0.00 56 R 7.88 4.07 0.00 1.99 1.97 0.00 3.24 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 57 L 8.04 4.05 0.00 1.82 1.70 0.91 1.30 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 58 H 7.99 4.10 0.00 3.28 3.36 0.00 5.61 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 59 A 8.26 4.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.50 4.03 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 1.19 0.00 0.00 61 C 8.52 4.84 0.00 2.81 2.69 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 62 T 8.37 4.54 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 1.21 0.00 0.00 63 F 8.79 5.30 0.00 3.01 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 64 E 9.42 4.60 0.00 2.11 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 2.17 2.09 0.00 65 A 8.35 4.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.81 4.67 0.00 2.67 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 67 I 8.48 4.03 2.13 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 1.27 0.53 1.02 0.00 0.00 68 F 9.27 3.80 0.00 3.13 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 69 D 8.27 4.53 0.00 2.98 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 70 D 8.47 4.61 0.00 2.93 2.75 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 71 L 7.59 3.36 0.00 0.72 1.00 0.52 0.75 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 72 F 7.24 3.89 0.00 3.02 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.34 0.00 2.25 2.33 0.00 3.78 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.04 0.00 74 A 7.63 3.80 0.77 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 75 L 7.87 3.75 0.00 1.55 1.74 0.86 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.03 4.00 0.00 2.06 2.03 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.40 1.51 7.81 77 N 8.29 4.70 0.00 2.76 2.82 0.00 0.00 7.07 7.20 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 78 R 7.94 3.91 0.00 1.91 1.99 0.00 3.52 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 79 E 8.58 4.16 0.00 2.08 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 0.00 2.39 2.29 0.00 80 V 7.30 4.59 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 0.84 0.00 0.00 0.81 0.00 0.00 81 D 9.14 4.66 0.00 2.56 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 82 L 7.58 4.79 0.00 1.52 1.49 0.91 0.76 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 83 V 8.14 4.84 1.84 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 0.50 0.00 0.00 0.65 0.00 0.00 84 I 8.54 4.56 1.95 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.52 1.01 0.00 0.00 85 A 9.25 5.40 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.74 2.79 0.00 2.72 2.63 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 0.00 0.00 0.00 *88 I 7.97 3.99 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.67 0.76 0.00 0.00 89 I 8.12 2.90 1.52 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 0.24 0.33 0.57 0.00 0.00 90 T 8.04 4.82 4.22 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 1.14 0.00 0.00 91 D 8.92 4.39 0.00 2.67 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 92 E 8.21 4.07 0.00 2.08 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 2.38 2.49 0.00 93 R 8.04 4.24 0.00 2.22 2.46 0.00 3.52 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 1.75 2.05 0.00 94 K 8.06 4.85 0.00 2.02 1.97 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.80 1.73 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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 0.00 0.00 *105 E 7.84 4.11 0.00 1.99 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 2.09 2.23 0.00 106 S 8.06 4.12 0.00 3.30 2.63 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 0.00 0.00 0.00 107 N 8.55 5.38 0.00 2.69 2.59 0.00 0.00 6.78 7.57 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 0.00 108 S 9.18 4.94 0.00 3.21 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 0.00 109 Q 7.74 4.84 0.00 2.42 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.10 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 110 Y 8.80 4.70 0.00 3.34 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 0.00 111 I 9.03 5.16 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 2.04 0.94 0.00 0.00 112 T 8.70 4.84 4.31 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 1.29 0.00 0.00 121 F 8.82 4.02 0.00 3.12 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 0.00 122 D 8.10 4.41 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.07 4.50 0.00 2.75 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 0.00 124 L 7.02 4.19 0.00 1.00 1.07 -0.15 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 125 H 6.86 4.95 0.00 3.14 3.11 0.00 5.66 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 0.00 126 G 8.65 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 0.00 0.00 0.00 0.00 127 K 8.68 4.68 0.00 1.62 1.80 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.40 7.81 128 K 9.71 4.74 0.00 1.68 1.76 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.40 7.81 129 I 8.75 4.83 1.93 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 1.18 1.12 1.08 0.00 0.00 130 G 9.27 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 0.00 0.00 0.00 0.00 131 V 8.94 4.96 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 1.21 0.00 0.00 0.99 0.00 0.00 132 R 8.84 4.71 0.00 2.01 1.87 0.00 3.00 0.00 0.00 2.35 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 133 K 9.23 4.25 0.00 1.91 1.85 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.17 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.48 0.89 7.81 134 G 9.19 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 0.00 0.00 0.00 0.00 135 T 7.57 4.45 3.63 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 0.00 0.00 1.12 0.00 0.00 136 P 0.00 4.58 0.00 2.23 2.25 0.00 3.07 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 1.60 1.85 0.00 137 Y 7.32 4.48 0.00 3.09 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 0.00 138 A 8.20 4.00 1.43 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 0.00 0.00 0.00 139 R 8.04 3.93 0.00 1.94 2.22 0.00 3.21 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 140 Q 8.13 4.01 0.00 2.35 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.55 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 141 V 7.88 3.74 2.27 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 0.95 0.00 0.00 1.12 0.00 0.00 142 L 7.88 4.18 0.00 1.80 1.73 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 143 S 8.10 4.20 0.00 4.07 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 0.00 144 E 8.10 4.10 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.81 0.00 145 N 7.66 4.18 0.00 2.83 2.83 0.00 0.00 6.78 7.79 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 0.00 146 R 7.44 4.50 0.00 1.77 1.81 0.00 3.20 0.00 0.00 3.03 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 147 N 8.04 4.07 0.00 2.93 2.81 0.00 0.00 7.01 6.71 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 0.00 148 N 8.07 5.22 0.00 2.63 2.70 0.00 0.00 6.98 7.69 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 0.00 149 Q 8.63 4.53 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 150 V 8.28 4.23 1.77 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 0.25 0.00 0.00 0.90 0.00 0.00 151 I 8.43 4.29 1.84 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 1.15 0.56 0.61 0.00 0.00 152 F 8.55 5.06 0.00 2.94 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 0.00 153 Y 9.14 4.72 0.00 3.11 3.02 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 0.00 154 E 9.41 4.25 0.00 2.07 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 0.00 2.38 2.40 0.00 155 L 7.74 4.96 0.00 1.96 1.79 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.72 3.67 2.31 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 1.52 0.98 1.02 0.00 0.00 157 Q 8.43 4.03 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 7.21 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 158 D 7.46 4.60 0.00 3.11 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 *160 L 8.08 4.00 0.00 1.54 1.39 -0.66 -0.44 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 0.00 161 L 7.96 4.10 0.00 1.79 1.69 0.89 0.67 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 0.00 162 G 8.17 4.09 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 0.00 0.00 0.00 163 L 7.51 4.53 0.00 1.89 1.83 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.21 4.70 0.00 3.76 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 0.00 165 N 7.97 4.89 0.00 2.94 3.00 0.00 0.00 6.24 6.96 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 0.00 166 N 8.26 4.45 0.00 2.91 2.95 0.00 0.00 7.12 7.69 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 0.00 167 Q 7.80 4.32 0.00 2.52 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.90 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 168 V 7.67 4.65 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 0.89 0.00 0.00 1.06 0.00 0.00 169 D 8.83 4.65 0.00 2.55 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 0.00 170 A 7.38 4.54 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 S 8.99 5.15 0.00 3.66 3.74 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 0.00 172 L 8.11 4.81 0.00 1.08 1.29 -0.03 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 *174 D 8.50 4.74 0.00 3.01 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 0.00 175 Y 9.10 4.25 0.00 3.10 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 E 8.51 3.78 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 1.62 0.00 177 A 8.25 4.17 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 A 8.15 4.06 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 0.00 179 K 8.04 3.88 0.00 1.13 1.73 0.00 1.63 0.00 0.00 1.40 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.31 7.81 180 Y 7.85 4.03 0.00 2.95 2.75 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 0.00 181 W 7.82 4.56 0.00 3.18 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 *183 A 7.99 3.63 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 S 6.94 4.07 0.00 3.47 3.50 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 0.00 185 E 8.63 3.52 0.00 2.13 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 2.32 2.45 0.00 186 P 0.00 4.51 0.00 2.19 1.95 0.00 3.80 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 2.04 2.12 0.00 187 Y 8.25 4.82 0.00 2.80 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 0.00 188 A 7.59 4.65 1.19 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 0.00 0.00 189 Y 8.69 5.34 0.00 3.24 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 0.00 190 K 7.39 4.54 0.00 1.70 1.63 0.00 1.41 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.12 1.34 7.81 191 L 7.68 4.21 0.00 1.61 1.77 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 192 I 7.95 4.28 1.90 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 1.37 0.91 1.02 0.00 0.00 193 G 7.56 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 K 8.26 5.20 0.00 1.78 1.82 0.00 1.85 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 3.49 0.00 0.00 0.00 0.00 1.72 1.56 7.81 195 K 8.43 4.49 0.00 1.66 1.49 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.46 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.71 1.21 7.81 196 Y 8.01 5.44 0.00 2.97 2.86 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 0.00 197 K 9.44 4.84 0.00 1.78 1.91 0.00 1.35 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.48 7.81 198 L 8.63 5.00 0.00 1.65 1.75 1.01 0.85 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 0.00 199 I 8.77 4.37 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.92 0.96 0.00 0.00 200 G 9.06 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 0.00 0.00 0.00 201 K 8.02 4.42 0.00 1.66 1.68 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.39 7.81 202 K 8.12 4.44 0.00 1.44 1.34 0.00 0.61 0.00 0.00 1.09 0.00 0.00 2.71 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.08 1.05 7.81 203 I 8.68 4.40 1.86 0.00 0.00 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 1.08 1.01 0.93 0.00 0.00 204 S 8.62 4.39 0.00 3.81 3.72 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 0.00 205 I 8.15 4.37 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.72 1.09 0.00 0.00 206 G 8.73 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 0.00 0.00 0.00 207 E 8.51 4.45 0.00 1.76 1.83 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 2.16 2.12 0.00 208 G 7.96 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 Y 7.78 4.57 0.00 2.40 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 0.00 0.00 0.00 0.00 210 S 8.34 4.97 0.00 3.82 3.67 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 0.00 211 I 8.56 4.52 2.02 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 1.30 0.86 0.97 0.00 0.00 *213 A 8.18 4.45 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 0.00 214 N 8.44 4.93 0.00 2.81 2.75 0.00 0.00 6.79 8.03 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 0.00 215 P 0.00 4.26 0.00 2.04 2.16 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.07 0.00 216 D 8.09 4.80 0.00 2.75 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 Q 8.14 4.42 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 218 F 7.78 4.31 0.00 3.32 3.36 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 0.00 219 V 6.72 3.60 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.72 0.00 0.00 220 L 7.68 3.94 0.00 1.73 1.75 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 221 I 7.79 3.78 2.07 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 1.74 0.74 0.99 0.00 0.00 222 K 8.27 4.04 0.00 2.03 1.91 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.81 7.81 223 K 7.97 4.01 0.00 1.98 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.66 7.81 224 I 7.86 3.77 2.08 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 1.54 0.89 0.97 0.00 0.00 225 N 8.49 4.41 0.00 2.92 2.90 0.00 0.00 7.03 6.95 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 0.00 226 K 8.01 4.07 0.00 1.99 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.65 7.81 227 I 7.49 3.98 2.03 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 1.78 0.74 0.93 0.00 0.00 228 L 7.91 4.20 0.00 1.84 1.75 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 229 L 7.94 4.19 0.00 1.89 1.72 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 230 E 8.14 4.24 0.00 2.18 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 2.34 2.62 0.00 *232 E 8.24 4.38 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.58 0.00 233 A 8.11 4.15 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 0.00 234 D 8.19 4.68 0.00 2.84 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 0.00 235 G 8.24 4.09 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 0.00 0.00 0.00 236 T 8.57 3.93 4.38 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 1.28 0.00 0.00 237 Y 8.08 4.09 0.00 3.13 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 0.00 238 L 8.24 3.99 0.00 1.96 1.92 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 239 R 8.09 3.91 0.00 2.07 2.14 0.00 3.17 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 240 L 7.95 4.03 0.00 2.01 1.92 1.11 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 241 Y 8.36 4.06 0.00 2.65 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 0.00 242 S 8.43 4.21 0.00 4.01 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 0.00 243 E 8.02 3.86 0.00 2.00 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 1.81 2.13 0.00 244 Y 7.05 3.95 0.00 1.81 1.43 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 0.00 245 F 7.61 4.41 0.00 2.03 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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.