NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.5204 8.1749 117.3793 63.4873 69.9281 172.8576 7 V 4.3293 8.6720 117.0048 58.8881 35.0334 174.3672 8 A 4.2529 8.7987 127.5382 51.3144 20.1873 177.2543 9 A 4.3332 8.1457 123.3617 52.5920 19.2426 176.2792 10 Y 4.7803 8.1289 117.0316 56.3987 40.9584 174.1794 11 N 4.2888 8.9436 113.6741 54.2905 35.8383 174.4748 12 L 4.7017 8.0152 117.7910 55.2979 42.4559 177.4754 13 T 4.7008 8.8466 120.2493 61.5781 73.0100 172.8863 14 W 4.6545 8.9192 125.5644 55.3892 30.5544 175.6687 15 K 4.6177 9.2293 125.0668 54.6337 34.2087 175.4378 16 S 5.6993 8.4038 119.1912 56.8050 66.2206 172.5988 17 T 4.8819 8.2474 122.5145 62.5681 72.7963 173.7261 18 N 4.2369 10.2015 123.1596 54.3967 36.9276 176.0248 19 F 4.0438 7.8165 114.0727 57.3951 37.8413 175.2267 20 K 4.2789 8.2365 123.3780 56.7922 32.8313 175.6162 21 T 5.1354 8.9589 125.4080 61.8545 71.4254 173.5599 22 I 4.9190 8.8756 127.4088 59.3467 41.0313 174.5275 23 L 4.4678 8.5073 128.8507 54.1927 43.7036 175.1206 24 E 5.0299 8.8259 123.5739 54.8924 34.3899 174.4422 25 W 5.2208 7.4476 117.1689 57.1552 31.4084 172.8665 26 E 4.5699 8.5598 117.9580 54.2255 33.6397 173.6437 27 P 4.9499 0.0000 0.0000 60.9083 33.9723 175.3106 28 K 4.1084 8.4317 120.0068 55.6453 32.2353 175.4184 29 P 4.3514 0.0000 0.0000 62.4026 31.9683 176.0070 30 V 4.0506 8.2671 122.6253 61.8579 31.5750 174.5794 31 N 4.2645 8.8000 127.0934 53.7577 35.7412 173.7386 32 Q 5.0988 7.7419 115.9126 55.0372 32.5986 173.4131 33 V 4.5953 8.9189 116.5831 59.8283 36.6214 173.9636 34 Y 6.2810 8.7662 118.1430 55.9302 42.0826 175.1104 35 T 5.3034 8.6306 116.6339 60.8644 73.3532 172.8659 36 V 4.6936 8.2434 124.2232 61.4030 34.2105 174.4677 37 Q 5.2657 9.0880 125.2822 54.1770 32.3592 174.2876 38 I 5.5085 9.0357 123.0872 59.6760 41.7774 174.1108 39 S 4.9288 8.9665 121.1781 57.4191 65.4427 173.1915 40 T 4.4728 7.8743 110.6722 59.2839 70.4878 175.9316 41 K 4.0753 8.4484 120.7966 58.8849 32.0556 178.3150 42 S 4.4734 7.1875 110.5648 58.1463 63.9408 174.5099 43 G 3.7975 7.2880 109.2654 44.5070 0.0000 173.0548 44 D 4.6065 8.0711 118.9310 53.3562 41.8934 176.7121 45 W 4.6573 8.6728 120.8075 56.7190 30.0887 175.6076 46 K 4.7621 9.4097 125.5644 54.7774 34.4037 175.4513 47 S 5.0494 8.8819 122.9038 58.5535 64.3140 173.2163 48 K 3.7099 8.6530 120.5217 54.8496 36.9674 174.8571 49 C 4.4280 8.1397 115.9161 58.1869 37.3819 173.2433 50 F 3.9829 7.5498 117.4082 58.7824 39.7889 175.9572 51 Y 3.9610 7.6128 124.4885 59.2489 36.1917 171.4613 52 T 4.4193 8.0809 113.5824 62.0004 68.6181 174.5697 53 T 4.5153 8.2294 113.7482 61.5135 69.9441 174.5949 54 D 4.5501 7.8348 122.3458 55.1968 41.5269 175.6654 55 T 3.3825 7.7942 109.0659 60.5236 69.6117 173.0005 56 E 4.5401 7.1915 117.5669 56.0535 33.4408 174.9924 57 C 4.7960 9.0295 120.6369 55.4494 47.2292 172.4193 58 D 4.9001 8.8519 127.0650 53.9959 41.6792 175.6290 59 L 4.8661 8.9751 124.1553 54.3651 43.4409 178.3691 60 T 3.9586 8.1524 118.6601 67.1718 68.0814 176.0724 61 D 4.3905 8.0862 118.8271 57.2502 41.2408 178.4375 62 E 4.1811 8.0632 118.8000 59.4061 29.6362 179.1327 63 I 3.0884 7.3768 111.1684 63.1965 37.7543 177.6724 64 V 3.8544 7.7819 112.3190 62.0462 31.6054 177.7852 65 K 4.4206 7.7465 118.8993 58.2784 32.5431 176.5315 66 D 4.4501 7.9564 118.9743 52.9820 42.1429 175.7401 67 V 4.0583 8.2685 119.9349 62.9385 31.7591 177.9120 68 K 4.3084 7.6874 118.4099 56.5605 32.8835 176.6296 69 Q 4.1560 7.9555 119.0635 55.8586 30.1263 175.0318 70 T 4.7808 7.9546 116.6691 62.3428 70.7797 173.3537 71 Y 4.7701 9.0981 125.1595 56.4852 40.6186 174.6631 72 L 5.4892 9.0002 123.5107 53.4095 45.7579 175.0693 73 A 5.8066 9.5225 126.4588 50.4197 22.8284 174.9669 74 R 4.8021 8.8339 114.7237 54.5667 33.8228 174.0571 75 V 4.2887 7.8933 119.4349 61.0695 34.2450 174.4152 76 F 4.9824 9.4256 126.6585 56.0531 41.5261 174.8281 77 S 5.2241 8.2492 117.4333 57.0602 65.2178 173.3638 78 Y 4.9347 8.9909 121.8796 55.1571 42.2883 173.1086 79 P 4.6066 0.0000 0.0000 63.1517 32.4635 175.4178 80 A 3.6707 8.5079 127.3906 53.5267 18.4022 176.4354 81 G 4.1878 9.2967 119.1374 45.0914 0.0000 174.1981 82 N 4.5449 7.9058 119.8519 51.3891 37.5179 176.0766 83 V 3.7107 7.6170 118.2859 63.5132 31.9684 175.9441 84 E 4.6761 8.0836 117.5046 56.9072 29.6833 176.2979 85 S 4.4866 7.7918 114.7819 59.0077 63.4841 174.1142 86 T 4.8124 8.1311 118.9575 62.1897 72.4592 174.3458 87 G 4.0197 8.9740 115.1615 44.0085 0.0000 174.4819 88 S 4.1241 8.6020 114.3763 61.5035 62.4436 175.7207 89 A 4.3633 8.1831 121.2579 51.3110 18.6093 177.5682 90 G 4.6123 8.5782 104.4270 46.7207 0.0000 173.7484 91 E 4.8491 7.5086 117.6410 53.0131 32.8969 174.0295 92 P 4.8200 0.0000 0.0000 62.3278 32.4085 175.9804 93 L 4.2570 8.3644 122.8830 55.9288 43.2896 175.2064 94 Y 5.4576 7.6084 121.8247 56.1988 41.4573 172.9795 95 E 4.4665 8.1276 117.9993 54.9480 33.1251 173.7703 96 N 5.3267 8.6360 122.8891 52.4736 40.4217 174.9510 97 S 4.6427 8.8680 117.2714 56.5138 65.0433 172.0603 98 P 4.5942 0.0000 0.0000 62.7426 31.6179 176.4193 99 E 4.6095 8.5625 119.7919 56.7192 30.6999 176.3795 100 F 4.6297 8.7744 124.1241 57.1634 43.1703 173.1878 101 T 5.0657 8.2413 123.2330 60.5630 69.8005 173.1977 102 P 3.6422 0.0000 0.0000 65.6350 31.4046 178.5096 103 Y 4.3518 8.6554 119.0941 60.0947 38.7771 177.4994 104 L 4.5073 7.8393 117.0490 54.8061 42.8642 176.5721 105 E 4.5204 7.5682 115.3897 55.9225 31.3989 176.0998 106 T 4.2412 7.6301 114.7417 61.6560 68.2216 173.8889 107 N 4.4968 8.9636 126.6967 53.2104 39.5496 174.8085 108 L 3.8893 8.3871 123.6032 54.8009 40.9805 176.5040 109 G 3.6575 8.9734 110.6964 47.4703 0.0000 176.1072 *129 D 4.7293 7.4316 122.7112 51.8557 40.4896 175.6669 130 E 4.2056 8.7740 118.0060 56.5331 30.3596 176.9440 131 R 4.5190 8.7527 122.0468 56.6221 30.6375 176.2336 132 T 4.7414 8.7948 112.5198 60.2937 71.3822 174.1064 133 L 4.4617 8.7995 120.0064 55.5312 42.1983 177.4706 134 V 3.7270 7.8359 120.9890 62.6211 31.5749 174.9224 135 R 4.8172 8.3151 126.2271 54.3231 32.0332 175.5569 136 R 4.3842 8.1764 121.2201 55.4504 32.5861 174.8378 137 N 4.0274 9.3866 123.5477 54.8198 37.3391 176.2389 138 N 4.1952 8.2963 114.0221 54.3586 38.3475 175.3469 139 T 4.0087 7.4475 112.1908 61.6136 68.0972 173.2067 140 F 4.8981 8.4764 124.9646 57.1249 40.3654 175.0114 141 L 4.8463 9.2040 122.4493 53.4997 44.0737 176.3015 142 S 5.0149 8.7951 117.0172 57.2106 65.5706 175.3358 143 L 4.1972 9.1209 121.1879 58.4544 41.2692 180.2504 144 R 4.1795 8.4111 117.9536 59.4708 29.7654 178.2531 145 D 4.3578 8.1366 118.3732 57.0050 40.8572 178.2708 146 V 3.7411 7.6134 117.3297 64.3817 31.8481 176.8364 147 F 5.0947 7.9031 116.3490 55.1417 40.0865 176.8779 148 G 3.9667 8.5181 110.4325 44.5299 0.0000 173.8192 149 K 4.6054 8.3429 118.3795 54.8396 30.1730 176.1417 150 D 4.6364 7.5095 115.5952 54.7031 47.3800 176.0556 151 L 4.4038 8.1496 122.4376 53.9308 43.2256 175.4591 152 I 4.8886 7.9433 117.8464 59.3532 41.4086 173.4659 153 Y 5.0889 8.5100 120.3445 56.4175 40.6736 175.6601 154 T 4.1070 9.1778 121.6086 63.6915 69.2771 174.9928 155 L 4.5001 8.5217 126.0831 54.8362 43.9146 175.9972 156 Y 5.0954 7.1868 126.7229 58.5056 39.7330 172.8426 157 Y 4.6353 7.5319 111.6342 57.6503 40.1438 175.0519 *188 S 4.1519 7.8263 116.4247 58.3608 64.2010 173.1846 189 V 5.1345 7.9102 118.0166 60.1917 33.7557 174.9006 190 Q 4.9193 8.4752 123.2601 54.5226 32.6456 173.5126 191 A 3.7922 9.0421 128.7139 51.3907 20.0316 176.6399 192 V 4.6917 8.5384 114.1330 59.8403 36.5946 174.9383 193 I 4.5784 8.4807 125.4798 58.5352 37.8011 174.5002 194 P 4.3638 0.0000 0.0000 64.2806 31.5772 177.9998 195 S 4.4004 7.8161 112.4582 59.1050 63.6771 174.6022 196 R 4.2053 7.5956 121.1228 56.3028 30.6055 176.5902 197 T 4.1629 8.4380 110.9922 63.3870 69.6479 175.3126 198 V 4.3499 7.2673 112.5721 59.6076 34.4833 174.0432 199 N 4.1796 9.0902 119.3133 53.9335 37.4576 175.9498 200 R 3.9579 7.5924 116.7702 57.3355 29.3472 175.9313 201 K 4.9916 7.5049 114.8181 54.8194 34.4409 176.7560 202 S 4.5104 8.3085 119.1258 58.1822 65.9373 172.8397 203 T 4.3505 7.3812 113.5013 62.0641 68.7744 174.7076 204 D 5.2056 8.4262 121.7154 53.0247 43.0563 177.0599 205 S 4.1741 8.6504 116.7200 59.0930 64.0794 174.1932 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 6 T 8.17 4.52 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 1.29 0.00 0.00 7 V 8.67 4.33 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 0.72 0.00 0.00 1.08 0.00 0.00 8 A 8.80 4.25 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 9 A 8.15 4.33 0.82 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 0.00 0.00 10 Y 8.13 4.78 0.00 3.11 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 11 N 8.94 4.29 0.00 2.99 2.93 0.00 0.00 6.82 6.74 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 12 L 8.02 4.70 0.00 1.46 1.47 0.76 0.62 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 13 T 8.85 4.70 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 14 W 8.92 4.65 0.00 2.91 2.44 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 15 K 9.23 4.62 0.00 1.64 1.69 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.73 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.74 7.81 16 S 8.40 5.70 0.00 3.81 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.25 4.88 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 1.25 0.00 0.00 18 N 10.20 4.24 0.00 2.92 2.93 0.00 0.00 6.75 8.16 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 19 F 7.82 4.04 0.00 3.39 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 20 K 8.24 4.28 0.00 1.96 1.90 0.00 1.53 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.51 7.81 21 T 8.96 5.14 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 1.27 0.00 0.00 22 I 8.88 4.92 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.76 0.90 0.00 0.00 23 L 8.51 4.47 0.00 1.12 1.35 -0.28 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.83 5.03 0.00 1.76 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 2.02 2.10 0.00 25 W 7.45 5.22 0.00 3.04 2.84 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 26 E 8.56 4.57 0.00 1.16 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 2.01 1.99 0.00 27 P 0.00 4.95 0.00 2.17 2.24 0.00 3.91 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 28 K 8.43 4.11 0.00 1.75 1.82 0.00 1.54 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.48 7.81 29 P 0.00 4.35 0.00 2.23 1.84 0.00 3.80 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 30 V 8.27 4.05 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 0.86 0.00 0.00 0.96 0.00 0.00 31 N 8.80 4.26 0.00 2.99 2.89 0.00 0.00 6.44 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 32 Q 7.74 5.10 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.71 6.81 0.00 0.00 0.00 0.00 0.00 1.81 2.40 0.00 33 V 8.92 4.60 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.22 0.00 0.00 34 Y 8.77 6.28 0.00 3.19 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 35 T 8.63 5.30 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 36 V 8.24 4.69 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 0.91 0.00 0.00 0.58 0.00 0.00 37 Q 9.09 5.27 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.50 0.00 0.00 0.00 0.00 0.00 2.51 2.39 0.00 38 I 9.04 5.51 2.06 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.13 1.06 0.00 0.00 39 S 8.97 4.93 0.00 3.23 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 40 T 7.87 4.47 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 0.60 0.00 0.00 41 K 8.45 4.08 0.00 1.65 1.83 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.33 1.34 7.81 42 S 7.19 4.47 0.00 3.72 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 43 G 7.29 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 0.00 0.00 0.00 44 D 8.07 4.61 0.00 2.59 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.67 4.66 0.00 3.20 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 46 K 9.41 4.76 0.00 1.87 1.74 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.48 7.81 47 S 8.88 5.05 0.00 4.07 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.65 3.71 0.00 1.45 1.49 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.56 7.81 49 C 8.14 4.43 0.00 3.06 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 50 F 7.55 3.98 0.00 3.02 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 51 Y 7.61 3.96 0.00 3.17 2.93 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 52 T 8.08 4.42 4.47 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 1.63 0.00 0.00 53 T 8.23 4.52 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 1.23 0.00 0.00 54 D 7.83 4.55 0.00 2.75 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 55 T 7.79 3.38 3.60 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 1.03 0.00 0.00 56 E 7.19 4.54 0.00 1.82 1.57 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 1.96 2.18 0.00 57 C 9.03 4.80 0.00 3.31 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 58 D 8.85 4.90 0.00 2.73 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 59 L 8.98 4.87 0.00 1.80 1.69 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.15 3.96 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 61 D 8.09 4.39 0.00 2.69 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 62 E 8.06 4.18 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 63 I 7.38 3.09 1.63 0.00 0.00 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 1.64 0.73 0.57 0.00 0.00 64 V 7.78 3.85 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.99 0.00 0.00 65 K 7.75 4.42 0.00 2.04 1.91 0.00 1.85 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.60 7.81 66 D 7.96 4.45 0.00 2.68 2.56 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 67 V 8.27 4.06 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 0.32 0.00 0.00 0.81 0.00 0.00 68 K 7.69 4.31 0.00 1.71 1.69 0.00 1.39 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.91 1.08 7.81 69 Q 7.96 4.16 0.00 1.63 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 70 T 7.95 4.78 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 71 Y 9.10 4.77 0.00 2.87 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 72 L 9.00 5.49 0.00 1.78 1.64 1.33 1.19 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 73 A 9.52 5.81 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 74 R 8.83 4.80 0.00 1.35 1.93 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.96 0.00 75 V 7.89 4.29 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 -0.40 0.00 0.00 -0.34 0.00 0.00 76 F 9.43 4.98 0.00 2.65 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.25 5.22 0.00 3.74 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 78 Y 8.99 4.93 0.00 2.87 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 79 P 0.00 4.61 0.00 2.24 2.05 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 80 A 8.51 3.67 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 81 G 9.30 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 N 7.91 4.54 0.00 2.87 2.74 0.00 0.00 7.03 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.62 3.71 1.67 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 0.05 0.00 0.00 0.17 0.00 0.00 84 E 8.08 4.68 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 2.18 2.35 0.00 85 S 7.79 4.49 0.00 4.03 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 86 T 8.13 4.81 4.29 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 1.22 0.00 0.00 87 G 8.97 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.60 4.12 0.00 3.88 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 89 A 8.18 4.36 1.32 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 90 G 8.58 4.61 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 0.00 0.00 0.00 91 E 7.51 4.85 0.00 1.95 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 2.25 2.50 0.00 92 P 0.00 4.82 0.00 2.25 2.33 0.00 3.86 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.91 0.00 93 L 8.36 4.26 0.00 1.80 1.55 0.83 0.73 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 94 Y 7.61 5.46 0.00 2.23 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.13 4.47 0.00 1.89 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 2.40 2.32 0.00 96 N 8.64 5.33 0.00 2.70 2.83 0.00 0.00 6.98 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 97 S 8.87 4.64 0.00 3.85 3.82 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 98 P 0.00 4.59 0.00 2.47 2.23 0.00 3.89 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 2.24 2.26 0.00 99 E 8.56 4.61 0.00 1.90 1.89 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 2.37 2.39 0.00 100 F 8.77 4.63 0.00 1.51 1.46 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 0.00 101 T 8.24 5.07 4.08 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 1.28 0.00 0.00 102 P 0.00 3.64 0.00 2.63 2.53 0.00 3.97 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 103 Y 8.66 4.35 0.00 3.30 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.84 4.51 0.00 1.62 1.67 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.57 4.52 0.00 1.45 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 2.15 2.09 0.00 106 T 7.63 4.24 4.14 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 0.28 0.00 0.00 107 N 8.96 4.50 0.00 2.80 2.69 0.00 0.00 6.79 6.27 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 0.00 108 L 8.39 3.89 0.00 1.39 1.46 0.62 0.49 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 0.00 109 G 8.97 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *129 D 7.43 4.73 0.00 2.86 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.77 4.21 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 131 R 8.75 4.52 0.00 1.82 2.00 0.00 2.89 0.00 0.00 2.96 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 132 T 8.79 4.74 4.83 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 1.49 0.00 0.00 133 L 8.80 4.46 0.00 1.89 1.96 0.99 0.84 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 0.00 134 V 7.84 3.73 1.94 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 0.66 0.00 0.00 0.22 0.00 0.00 135 R 8.32 4.82 0.00 1.63 1.61 0.00 2.93 0.00 0.00 2.69 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.36 0.00 136 R 8.18 4.38 0.00 1.65 1.72 0.00 3.39 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 137 N 9.39 4.03 0.00 2.94 2.76 0.00 0.00 7.23 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 0.00 138 N 8.30 4.20 0.00 2.84 2.84 0.00 0.00 7.13 7.54 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 0.00 139 T 7.45 4.01 4.20 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 1.23 0.00 0.00 140 F 8.48 4.90 0.00 3.02 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 9.20 4.85 0.00 1.55 1.57 0.86 0.86 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 0.00 142 S 8.80 5.01 0.00 4.17 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 9.12 4.20 0.00 2.08 2.03 1.18 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.41 4.18 0.00 2.23 2.12 0.00 3.23 0.00 0.00 3.41 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 145 D 8.14 4.36 0.00 2.79 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 0.00 146 V 7.61 3.74 1.67 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 0.38 0.00 0.00 0.87 0.00 0.00 147 F 7.90 5.09 0.00 3.19 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 0.00 148 G 8.52 3.97 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 0.00 0.00 0.00 149 K 8.34 4.61 0.00 1.78 1.81 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.44 7.81 150 D 7.51 4.64 0.00 3.02 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 0.00 151 L 8.15 4.40 0.00 1.65 1.81 0.56 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 152 I 7.94 4.89 1.89 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 1.19 1.04 0.94 0.00 0.00 153 Y 8.51 5.09 0.00 2.82 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 0.00 154 T 9.18 4.11 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 0.00 155 L 8.52 4.50 0.00 1.61 1.89 0.96 1.00 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 0.00 156 Y 7.19 5.10 0.00 2.62 2.32 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 0.00 157 Y 7.53 4.64 0.00 2.94 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 *188 S 7.83 4.15 0.00 3.84 3.77 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 0.00 189 V 7.91 5.13 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.02 0.00 0.00 190 Q 8.48 4.92 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.08 0.00 0.00 0.00 0.00 0.00 2.25 2.54 0.00 191 A 9.04 3.79 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 V 8.54 4.69 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 0.71 0.00 0.00 0.88 0.00 0.00 193 I 8.48 4.58 1.59 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.28 0.69 0.00 0.00 194 P 0.00 4.36 0.00 2.15 2.13 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 195 S 7.82 4.40 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 0.00 196 R 7.60 4.21 0.00 1.90 2.06 0.00 2.95 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.43 0.00 197 T 8.44 4.16 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 198 V 7.27 4.35 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 0.77 0.00 0.00 0.95 0.00 0.00 199 N 9.09 4.18 0.00 2.77 2.81 0.00 0.00 7.01 7.66 0.00 0.00 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 R 7.59 3.96 0.00 1.94 1.92 0.00 3.18 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 201 K 7.50 4.99 0.00 1.56 1.63 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.28 1.35 7.81 202 S 8.31 4.51 0.00 4.06 3.77 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 0.00 203 T 7.38 4.35 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 1.20 0.00 0.00 204 D 8.43 5.21 0.00 2.65 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 0.00 205 S 8.65 4.17 0.00 3.82 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 * Residues marked with a * may have inaccurate shift predictions.