NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5564 8.2227 120.1974 54.1687 43.7568 177.0831 4 K 3.7663 8.0292 119.0265 58.6737 32.3133 177.9431 5 F 2.6896 8.7305 121.6892 60.9721 39.8174 176.2586 6 N 3.9269 7.8879 115.5027 56.0491 37.7945 177.3565 7 Q 3.8484 8.2112 119.8541 58.7550 28.9714 178.3406 8 F 3.8430 7.8918 121.5726 61.3856 39.4049 177.0751 9 I 3.0091 7.4432 118.3297 63.6569 37.4336 177.1389 10 N 4.4439 7.3948 115.1083 54.8968 38.4729 176.9648 11 R 4.0832 6.9110 118.3436 58.5084 30.5838 178.4430 12 V 3.8444 6.7358 110.1898 61.0017 31.8061 175.8319 13 L 4.3878 7.2963 121.1357 52.8232 42.3560 176.0609 14 S 4.3104 8.5188 120.7473 58.8859 62.8697 173.5268 15 H 4.6970 8.7054 119.6809 56.3310 29.0639 174.8956 16 E 4.5564 8.5056 122.1389 54.1562 30.7450 176.2000 17 G 2.0000 8.0261 115.2016 45.7902 0.0000 173.4245 18 G 3.9794 7.7446 107.2742 46.0720 0.0000 173.2043 19 Y 4.3062 7.8244 118.5023 57.8699 39.6774 175.5613 20 A 4.4118 8.2230 127.1788 50.1122 23.0875 174.1248 21 N 5.0292 8.5218 119.2920 51.8175 41.9840 173.2719 22 H 4.7072 8.5495 124.4880 53.6175 31.5046 172.0556 23 P 4.1878 0.0000 0.0000 65.5199 31.2020 177.5013 24 K 4.3645 7.8407 114.3393 56.9917 32.6537 176.5901 25 D 4.7819 8.2797 118.7543 51.0644 41.2058 173.3389 26 P 4.2650 0.0000 0.0000 65.1412 32.0227 178.7306 27 G 3.7249 8.1796 105.5765 47.0839 0.0000 174.5832 28 G 4.1584 7.8658 107.4383 44.3110 0.0000 173.5167 29 E 4.0762 7.8605 122.6386 56.9705 30.5979 175.9741 30 T 5.2047 8.7959 122.9007 61.9153 73.0162 172.4837 31 N 4.8868 8.7904 122.7709 52.4710 42.9075 174.3984 32 W 3.5698 9.2179 124.9204 57.9216 27.1984 175.6038 33 G 4.0937 8.4368 103.8888 46.3321 0.0000 173.8771 34 I 4.3696 7.5976 121.7402 59.5876 38.8703 175.6796 35 T 4.6604 8.1629 115.7125 60.8670 71.0690 175.4593 36 K 3.8720 8.6376 123.5803 59.9604 32.2377 178.9337 37 R 3.9274 8.1766 118.2888 60.0185 29.5830 179.0489 38 T 3.6970 7.9061 114.6659 66.3793 68.3646 176.4091 39 A 4.0184 8.2620 123.0841 55.6635 18.2524 179.7964 40 Q 4.1309 8.2885 114.3727 58.3831 28.9167 178.1180 41 A 4.2472 7.8139 120.5004 53.4697 18.5551 177.2163 42 N 4.8623 7.4164 113.9924 53.0787 39.6011 175.6230 43 G 3.7790 8.6172 104.4028 45.8243 0.0000 173.5192 44 Y 4.3383 8.0795 121.1597 56.2260 38.4477 174.8730 45 N 4.7855 8.1860 123.6759 52.8566 39.9448 175.8207 46 G 3.7869 6.5422 107.7290 44.4020 0.0000 173.2310 47 S 4.3714 8.1827 114.0659 58.1558 63.2678 173.9800 *49 R 3.8971 8.5661 115.5113 56.0719 31.4987 175.5202 50 A 4.2982 7.5867 121.9707 51.0676 17.8617 176.9823 *52 T 4.2489 7.8922 111.6561 62.1030 71.2921 174.6377 53 R 2.0000 7.6456 121.1557 58.9626 29.8802 178.6269 54 E 3.8320 7.7168 117.7900 59.4346 29.6559 179.0782 55 Q 3.9510 8.0986 117.8479 58.8181 28.6740 178.7813 56 A 3.8409 7.8473 121.8147 55.3221 18.4746 179.6786 57 I 3.9728 8.0092 118.6276 64.9027 37.0166 178.9144 58 S 4.2399 8.1608 115.8613 61.4403 62.5798 176.8753 59 I 3.7080 7.6662 122.1871 64.6627 36.4299 178.0409 60 Y 4.6221 8.3765 117.9521 61.1792 37.7035 178.6406 61 R 3.2044 8.3421 119.6660 59.0870 29.9345 178.8244 62 K 4.0496 7.8782 117.9130 59.6253 32.0343 179.2930 63 A 4.0933 8.6365 119.6622 53.8719 18.8370 177.7208 64 F 5.0960 8.6736 116.9816 60.0195 41.0505 177.5441 65 W 3.8781 8.3565 127.0289 60.5889 30.6956 177.9390 66 E 3.8746 8.7168 118.9804 59.2680 28.7455 179.1071 67 R 3.6148 7.3940 118.0934 59.1082 30.0446 176.6595 68 Y 4.5548 7.3912 111.3835 56.7916 38.8809 175.6789 69 R 3.6215 7.6426 118.0238 55.8179 28.1236 177.8573 70 A 3.6295 7.0856 119.9801 54.4194 19.0952 179.4082 71 D 3.8440 6.5586 115.1631 55.6452 40.1272 176.7120 72 Q 4.3096 7.1311 121.3451 53.9223 27.3983 173.8927 *74 P 4.2289 0.0000 0.0000 61.7692 34.4762 176.7866 75 E 4.1793 8.8031 121.2877 59.8138 29.4945 179.2504 76 A 4.0923 8.1360 120.1034 55.0759 18.3495 179.7275 77 V 3.5385 7.8254 116.0374 66.2091 31.7675 177.8590 78 A 4.2974 8.4661 120.8985 55.4070 18.2259 179.6138 79 F 4.1671 8.9761 116.2760 61.0703 38.9854 178.0133 80 Q 4.3125 8.3403 117.8483 58.7709 28.5210 178.3669 81 F 4.5045 8.8924 122.3553 61.2700 39.4383 176.8036 82 F 3.3505 8.7338 120.4241 61.1934 39.1379 176.5063 83 D 4.1928 8.1557 116.7838 57.3325 41.0162 178.0462 84 A 3.7162 8.2584 121.3258 55.2022 18.4940 179.3999 85 C 3.7586 7.6528 115.1236 62.8149 27.8419 176.5179 86 V 3.4268 6.8480 118.2384 65.8736 31.1053 177.2399 87 N 4.3536 7.6518 114.6652 54.9365 38.7574 176.1993 88 H 4.4378 8.0216 115.3781 53.7772 30.7856 175.2512 89 G 4.1604 7.3288 108.4714 45.3722 0.0000 174.4855 90 Y 4.0221 9.2721 119.9881 60.9144 38.0929 178.9787 91 G 3.7964 8.3443 106.1467 47.9423 0.0000 175.1304 92 N 4.3489 8.1904 117.1207 56.0492 38.7291 176.8250 93 A 4.1772 7.9900 120.5996 55.0740 18.7247 179.0645 94 A 4.1257 8.3640 119.5765 55.3078 18.4573 181.3092 95 R 4.4276 7.9847 116.6032 56.2641 30.2066 178.8989 *97 L 4.2217 7.9395 121.9500 55.2956 44.1276 178.5088 98 Q 3.9516 8.2378 117.4636 59.1169 29.1309 179.0616 99 R 3.8775 8.6149 117.0609 59.2545 30.3347 178.8216 100 A 3.9946 8.2560 118.8354 55.2066 18.3562 178.1909 101 A 4.1108 8.1373 116.3555 52.7998 18.8223 178.0348 102 G 3.8827 7.9530 103.4036 45.9533 0.0000 173.8266 103 V 4.5099 7.3344 111.1619 57.9097 34.7019 174.1288 104 P 4.2971 0.0000 0.0000 63.2747 32.0729 177.4234 105 D 4.8940 8.3712 124.1437 52.2427 38.0700 176.1281 106 D 4.4464 7.8318 118.8253 54.4728 40.6737 178.4327 107 G 3.8853 9.1872 108.6847 45.3932 0.0000 173.3089 108 V 4.2058 8.3461 119.9811 61.0283 31.9541 175.8674 109 I 4.0903 8.4826 129.8690 60.4253 36.2165 175.8794 110 G 4.2908 7.8838 114.4682 42.9146 0.0000 170.4862 111 A 3.9402 8.4336 120.4407 55.3494 18.3409 180.3020 112 V 3.5308 7.6450 116.2177 66.0740 31.6697 178.3539 113 S 4.0559 7.9140 114.4853 61.6065 62.7993 176.4654 114 L 3.8743 8.1007 121.9268 57.4464 41.0609 179.4856 115 K 3.8504 7.9553 118.5832 59.4153 32.5939 178.2930 116 A 4.1055 7.8873 120.9730 55.3441 18.0720 179.5923 117 I 3.5904 7.5620 117.0207 64.4549 37.2933 177.7243 118 N 4.6031 7.9389 114.3881 54.1318 38.7348 176.7274 119 S 4.4186 7.6943 115.5176 58.6231 63.7209 173.6169 120 L 4.8759 6.9799 120.6773 52.1884 43.6102 174.7943 121 P 4.3698 0.0000 0.0000 62.3475 33.0217 177.1645 122 E 3.9379 8.9094 121.6281 60.2037 29.3465 179.8738 123 N 4.4052 8.1286 115.3983 56.1666 38.5034 177.2201 124 D 4.3661 8.0388 120.1747 57.2086 40.9699 178.2403 125 L 3.9813 7.9222 120.8952 58.1661 42.0152 178.8874 126 L 4.2359 8.2977 118.7851 56.8477 41.6099 179.1284 127 L 3.9955 8.1302 121.0164 58.2740 42.1044 179.1672 128 R 3.9929 7.8331 118.2000 59.1553 29.9950 178.9020 129 F 4.3815 8.6123 120.7010 61.5493 39.4717 177.0542 130 N 4.2814 8.7172 116.2250 55.9607 38.1881 177.0850 131 A 4.0452 8.0774 122.3912 55.5216 18.4850 179.6176 132 E 3.9488 8.2127 116.8241 59.5980 29.4859 179.8459 133 R 3.8043 7.8802 118.1720 59.0859 29.9530 179.0939 134 L 4.2979 8.1372 119.0287 57.4629 41.6689 179.4614 135 V 3.6308 8.2233 118.7733 66.0485 31.4321 177.3960 136 F 4.0175 8.3736 120.2321 61.8022 38.9099 176.1240 137 Y 4.4214 8.5891 118.0230 61.4633 38.6402 178.4859 138 T 3.8989 8.1158 108.9439 63.8735 68.9018 176.1639 139 K 4.0370 7.5442 121.4590 58.9635 33.0746 176.1280 140 L 4.4689 7.8152 119.4878 54.6066 42.0709 178.4038 *148 K 4.0843 8.6895 121.6437 57.3969 34.2437 177.9751 149 G 3.6358 7.9269 105.3111 47.7196 0.0000 175.6390 150 W 4.3408 7.9674 119.8504 58.7791 28.3025 178.5814 151 V 3.1110 6.6576 119.5655 64.1668 30.5534 178.2361 152 R 3.7071 7.9649 119.5673 59.1580 29.9825 178.4054 153 R 3.8915 7.8628 118.2899 59.4956 29.9842 178.6400 154 V 3.7960 8.3524 118.2085 65.9277 31.4717 177.8593 155 A 3.9321 8.2447 120.8739 55.1942 18.1329 179.3852 156 Q 3.7819 8.4056 118.4528 59.3611 29.1038 178.1087 157 N 4.3637 8.7167 117.8700 56.3984 38.4458 177.3644 158 L 4.0371 8.1281 120.4739 57.6928 41.4754 179.4879 159 I 3.6714 7.6993 118.8987 64.8788 37.1797 177.7181 160 H 4.3752 8.1292 115.4512 58.9938 28.6654 177.3165 161 A 4.7174 8.2837 122.0694 53.0833 18.3893 178.4598 162 S 4.6226 7.4601 111.6453 58.1482 63.6589 174.1369 163 A 4.1639 8.1241 130.5529 53.3234 18.0941 178.1691 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 3 D 8.22 4.56 0.00 2.75 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 4 K 8.03 3.77 0.00 2.09 2.05 0.00 1.97 0.00 0.00 2.15 0.00 0.00 3.24 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.96 1.78 7.81 5 F 8.73 2.69 0.00 1.87 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 6 N 7.89 3.93 0.00 2.67 2.71 0.00 0.00 7.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.21 3.85 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 8 F 7.89 3.84 0.00 3.03 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 9 I 7.44 3.01 0.72 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.60 0.41 0.00 0.00 10 N 7.39 4.44 0.00 2.71 2.74 0.00 0.00 7.05 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 11 R 6.91 4.08 0.00 1.78 2.03 0.00 3.19 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 12 V 6.74 3.84 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 -0.47 0.00 0.00 -0.64 0.00 0.00 13 L 7.30 4.39 0.00 1.28 1.52 1.22 1.00 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 14 S 8.52 4.31 0.00 3.90 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 8.71 4.70 0.00 3.24 3.45 0.00 5.93 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.51 4.56 0.00 1.88 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 0.00 2.21 2.17 0.00 17 G 8.03 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 0.00 0.00 0.00 0.00 0.00 0.00 18 G 7.74 3.98 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 0.00 0.00 0.00 19 Y 7.82 4.31 0.00 2.85 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 20 A 8.22 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.52 5.03 0.00 2.74 2.70 0.00 0.00 6.77 7.89 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 22 H 8.55 4.71 0.00 3.20 3.14 0.00 5.95 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.19 0.00 2.00 2.11 0.00 3.45 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.10 0.00 24 K 7.84 4.36 0.00 1.89 1.91 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.40 7.81 25 D 8.28 4.78 0.00 2.71 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 26 P 0.00 4.26 0.00 2.23 2.12 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 27 G 8.18 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 0.00 0.00 0.00 28 G 7.87 4.16 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 0.00 29 E 7.86 4.08 0.00 2.12 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 2.32 2.26 0.00 30 T 8.80 5.20 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 1.20 0.00 0.00 31 N 8.79 4.89 0.00 2.97 2.68 0.00 0.00 7.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 W 9.22 3.57 0.00 3.49 3.39 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 33 G 8.44 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 34 I 7.60 4.37 1.93 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.00 0.77 0.00 0.00 35 T 8.16 4.66 4.46 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 1.21 0.00 0.00 36 K 8.64 3.87 0.00 1.89 2.05 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.58 7.81 37 R 8.18 3.93 0.00 1.88 1.98 0.00 3.20 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 38 T 7.91 3.70 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 0.87 0.00 0.00 39 A 8.26 4.02 1.51 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 0.00 0.00 40 Q 8.29 4.13 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.72 2.57 0.00 41 A 7.81 4.25 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 42 N 7.42 4.86 0.00 2.67 2.75 0.00 0.00 7.01 7.53 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 43 G 8.62 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 44 Y 8.08 4.34 0.00 2.94 3.03 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 45 N 8.19 4.79 0.00 2.61 2.74 0.00 0.00 7.11 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 6.54 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 47 S 8.18 4.37 0.00 3.88 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 *49 R 8.57 3.90 0.00 1.79 1.85 0.00 3.00 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.30 0.00 50 A 7.59 4.30 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *52 T 7.89 4.25 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 53 R 7.65 2.00 0.00 0.67 1.39 0.00 2.93 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.82 0.00 54 E 7.72 3.83 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 55 Q 8.10 3.95 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 56 A 7.85 3.84 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.01 3.97 2.01 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.00 1.07 0.00 0.00 58 S 8.16 4.24 0.00 4.04 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 59 I 7.67 3.71 1.82 0.00 0.00 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 1.48 0.75 0.74 0.00 0.00 60 Y 8.38 4.62 0.00 3.51 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.34 3.20 0.00 1.44 1.89 0.00 2.91 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.57 0.00 62 K 7.88 4.05 0.00 2.05 1.82 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.43 7.81 63 A 8.64 4.09 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 64 F 8.67 5.10 0.00 3.70 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 65 W 8.36 3.88 0.00 3.69 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 66 E 8.72 3.87 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 67 R 7.39 3.61 0.00 1.63 1.60 0.00 2.79 0.00 0.00 2.89 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.24 0.00 68 Y 7.39 4.55 0.00 3.07 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 69 R 7.64 3.62 0.00 1.74 1.74 0.00 3.27 0.00 0.00 3.17 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 70 A 7.09 3.63 0.39 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 0.00 0.00 71 D 6.56 3.84 0.00 2.84 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.13 4.31 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.48 0.00 0.00 0.00 0.00 0.00 2.25 2.18 0.00 *74 P 0.00 4.23 0.00 2.20 2.15 0.00 3.55 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.22 0.00 75 E 8.80 4.18 0.00 2.22 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 2.55 2.98 0.00 76 A 8.14 4.09 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 77 V 7.83 3.54 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.90 0.00 0.00 78 A 8.47 4.30 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 79 F 8.98 4.17 0.00 3.51 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.34 4.31 0.00 2.28 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.59 2.70 0.00 81 F 8.89 4.50 0.00 2.90 3.42 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 82 F 8.73 3.35 0.00 2.99 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 83 D 8.16 4.19 0.00 2.97 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 84 A 8.26 3.72 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 C 7.65 3.76 0.00 2.25 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 6.85 3.43 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 0.78 0.00 0.00 0.24 0.00 0.00 87 N 7.65 4.35 0.00 2.21 2.15 0.00 0.00 6.93 7.46 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 88 H 8.02 4.44 0.00 2.62 2.23 0.00 5.64 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.33 4.16 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 0.00 90 Y 9.27 4.02 0.00 3.09 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 8.34 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 92 N 8.19 4.35 0.00 2.86 2.74 0.00 0.00 6.85 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.99 4.18 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.36 4.13 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 7.98 4.43 0.00 2.08 2.00 0.00 3.22 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 *97 L 7.94 4.22 0.00 1.37 1.49 0.29 -0.20 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 98 Q 8.24 3.95 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 99 R 8.61 3.88 0.00 1.91 2.02 0.00 3.17 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 100 A 8.26 3.99 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.14 4.11 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.95 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 0.00 0.00 0.00 103 V 7.33 4.51 2.06 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 0.72 0.00 0.00 0.96 0.00 0.00 104 P 0.00 4.30 0.00 2.04 2.00 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 105 D 8.37 4.89 0.00 2.81 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 0.00 106 D 7.83 4.45 0.00 2.83 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 0.00 107 G 9.19 3.89 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 0.00 0.00 0.00 108 V 8.35 4.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.97 0.00 0.00 109 I 8.48 4.09 1.99 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.84 0.84 0.00 0.00 110 G 7.88 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 0.00 0.00 0.00 0.00 111 A 8.43 3.94 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 0.00 112 V 7.64 3.53 2.06 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 1.04 0.00 0.00 0.91 0.00 0.00 113 S 7.91 4.06 0.00 4.07 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 0.00 114 L 8.10 3.87 0.00 1.75 1.63 0.82 0.83 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 0.00 115 K 7.96 3.85 0.00 1.81 1.95 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.43 7.81 116 A 7.89 4.11 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.56 3.59 1.88 0.00 0.00 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 1.32 0.53 0.76 0.00 0.00 118 N 7.94 4.60 0.00 2.76 2.82 0.00 0.00 7.09 6.92 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 0.00 119 S 7.69 4.42 0.00 4.04 4.15 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 0.00 120 L 6.98 4.88 0.00 1.70 1.64 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.37 0.00 2.32 2.01 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 2.11 2.17 0.00 122 E 8.91 3.94 0.00 2.06 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 0.00 2.44 2.50 0.00 123 N 8.13 4.41 0.00 2.75 3.08 0.00 0.00 7.10 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.04 4.37 0.00 2.83 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 0.00 125 L 7.92 3.98 0.00 1.76 1.80 0.88 0.63 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 0.00 126 L 8.30 4.24 0.00 1.87 1.82 1.06 0.81 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 0.00 127 L 8.13 4.00 0.00 1.97 1.86 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 128 R 7.83 3.99 0.00 2.07 2.03 0.00 3.20 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 129 F 8.61 4.38 0.00 3.11 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.72 4.28 0.00 2.93 2.89 0.00 0.00 6.93 8.14 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 0.00 131 A 8.08 4.05 1.45 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 0.00 0.00 132 E 8.21 3.95 0.00 2.10 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 2.63 2.58 0.00 133 R 7.88 3.80 0.00 1.99 1.95 0.00 2.51 0.00 0.00 2.96 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.11 0.00 134 L 8.14 4.30 0.00 1.96 1.81 0.93 0.50 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 0.00 135 V 8.22 3.63 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 1.04 0.00 0.00 1.05 0.00 0.00 136 F 8.37 4.02 0.00 3.10 3.32 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 0.00 137 Y 8.59 4.42 0.00 3.24 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 0.00 138 T 8.12 3.90 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 139 K 7.54 4.04 0.00 1.70 1.74 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.39 7.81 140 L 7.82 4.47 0.00 0.76 0.99 0.52 0.75 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 *148 K 8.69 4.08 0.00 1.77 1.80 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.40 7.81 149 G 7.93 3.64 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 0.00 0.00 0.00 150 W 7.97 4.34 0.00 3.55 3.32 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 0.00 151 V 6.66 3.11 0.67 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 0.29 0.00 0.00 -0.01 0.00 0.00 152 R 7.96 3.71 0.00 1.87 2.10 0.00 3.07 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 153 R 7.86 3.89 0.00 2.01 2.18 0.00 3.23 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 154 V 8.35 3.80 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 1.17 0.00 0.00 1.30 0.00 0.00 155 A 8.24 3.93 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 0.00 156 Q 8.41 3.78 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 157 N 8.72 4.36 0.00 3.07 2.95 0.00 0.00 7.04 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 0.00 158 L 8.13 4.04 0.00 1.93 1.72 0.93 1.00 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 0.00 159 I 7.70 3.67 1.94 0.00 0.00 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 1.50 0.58 0.91 0.00 0.00 160 H 8.13 4.38 0.00 3.29 3.36 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 A 8.28 4.72 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 S 7.46 4.62 0.00 4.01 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 0.00 163 A 8.12 4.16 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.