NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.6421 8.1927 115.5725 57.8211 66.1116 172.7986 6 L 4.5093 7.9612 124.8271 55.0572 42.9674 173.9415 7 Y 5.1691 9.6765 123.6161 56.2324 43.3226 173.8206 8 R 5.2287 8.8177 120.4293 54.6126 33.9890 173.5589 9 L 5.2467 9.2038 127.6606 53.3191 45.4024 174.8212 10 I 5.1706 8.9263 127.1865 59.7330 40.0992 174.2597 11 Y 5.4670 8.7011 123.7613 55.5284 42.1920 173.8678 12 S 5.3043 9.2859 114.1133 56.9756 66.7670 172.9672 13 S 5.1020 9.1436 115.7465 57.4547 68.2821 172.9129 14 Q 4.8393 8.9381 120.6566 54.0000 30.2913 176.1563 15 G 4.4104 9.3664 112.9955 45.8673 0.0000 173.0407 16 I 4.1400 8.7766 115.6102 60.0672 38.3145 175.4888 17 P 4.3225 0.0000 0.0000 65.6716 31.2875 177.1365 18 N 4.7096 7.9998 112.5075 52.9154 38.9440 175.1843 19 L 4.1555 7.3578 118.4372 55.4331 42.2791 176.7563 20 Q 4.7016 9.0804 121.8342 53.2139 31.6874 174.7594 21 P 4.2412 0.0000 0.0000 66.1956 31.1046 178.7496 22 Q 3.9704 8.0269 117.6678 59.1440 28.9655 177.8768 23 D 4.3701 8.0861 122.0938 57.8757 40.8574 179.2815 24 L 3.9377 7.7737 122.3095 59.3935 40.8501 180.9150 25 K 4.1186 7.9829 120.6979 59.2701 32.0581 178.6494 26 D 4.3062 8.2222 119.2163 57.3805 40.7462 178.6329 27 I 3.5818 7.7501 120.2506 64.3572 37.0484 178.1681 28 L 3.9385 8.0728 123.3147 58.7582 41.9367 179.3269 29 E 3.9581 8.4192 118.5415 61.3099 29.6538 181.0152 30 S 4.3092 8.1671 116.7306 61.4631 62.8521 177.1205 31 S 4.1359 8.1672 116.9081 61.6551 62.5416 176.5196 32 Q 4.0037 8.2009 120.8364 58.1940 28.4594 178.2503 33 R 4.0430 7.7754 119.5689 59.0554 30.5312 177.5482 34 N 4.6119 8.2143 115.7223 55.4941 39.1225 177.1358 35 N 4.3842 8.3841 118.1902 55.9364 38.6762 175.3546 36 P 4.2619 0.0000 0.0000 65.7473 31.2471 178.5538 37 A 4.0492 7.9807 118.2703 54.8300 18.5011 177.6491 38 N 4.6228 7.7997 110.5713 52.6615 38.7189 175.3764 39 G 4.0276 7.7958 105.9048 46.3937 0.0000 173.5961 40 I 4.5465 7.7574 120.0755 59.9916 38.4066 175.5491 41 T 5.1387 9.6435 114.1046 59.1561 71.6150 174.3357 42 G 3.9397 7.3474 106.2097 46.3451 0.0000 170.6170 43 L 4.7290 7.2626 120.0961 53.8085 45.8573 175.0860 44 L 5.0872 8.8406 127.8219 53.3349 44.9838 174.2813 45 C 5.2720 9.3949 126.7570 57.7116 34.4796 171.5568 46 Y 4.9367 9.1790 127.5959 56.1030 40.8550 174.1111 47 S 4.8317 8.7033 122.7022 53.7397 63.3625 171.4660 48 K 3.0975 7.3273 121.4748 56.1587 32.5331 175.1313 49 P 4.6436 0.0000 0.0000 62.6304 32.7323 174.7616 50 A 4.9919 7.7630 123.2673 51.1533 21.0627 176.5798 51 F 5.4515 8.9554 119.1936 55.8201 42.3242 174.8133 52 L 5.0662 8.9549 123.4072 53.4583 45.2035 174.9117 53 Q 4.9600 8.5308 127.1236 54.0891 32.9916 173.8130 54 V 4.8345 8.3744 124.8405 59.8352 34.1595 174.3919 55 L 5.2660 9.1428 124.0309 52.9843 45.1154 175.3074 56 E 5.2034 10.4906 122.4678 53.8326 33.7740 176.1709 57 G 4.2972 8.1021 107.8870 46.1963 0.0000 171.0460 58 E 4.5852 8.2116 120.3389 56.1821 30.5581 177.1500 59 C 3.4768 9.2167 126.8740 62.8070 31.3333 175.8767 60 E 3.8716 8.0613 119.8573 59.4603 29.1309 178.7289 61 Q 3.9590 8.0169 117.8441 58.8800 28.7910 178.5736 62 V 3.6335 8.2848 119.6319 66.2787 31.4781 177.9054 63 N 4.4589 8.2817 116.0560 56.1390 38.4223 176.9166 64 E 3.9392 8.4697 121.0499 59.6996 29.6875 179.1161 65 T 3.8119 8.1533 115.7108 66.7221 68.5035 175.8571 66 Y 3.9406 8.3361 121.7794 61.3365 38.5809 178.2279 67 H 3.8602 8.1386 115.3175 58.3174 29.0998 177.6584 68 R 3.9440 7.8460 120.8129 59.4039 29.9467 178.4201 69 I 3.5562 7.8476 120.0114 64.6202 36.8814 178.8354 70 V 3.3761 7.1197 111.6678 63.9753 31.3284 177.8582 71 Q 4.1854 7.4374 115.4711 55.7372 28.5995 175.6080 72 D 4.3976 7.9389 124.6377 54.3365 41.6551 177.4107 73 E 4.2024 8.7239 122.3538 58.0839 30.0467 174.5886 74 R 4.3828 8.7004 116.2924 58.0439 30.5065 175.4805 75 H 5.4307 7.7845 111.6990 54.8196 31.6674 171.6609 76 H 4.7885 8.8649 115.3583 54.8095 31.8855 172.7471 77 S 3.8495 8.7231 112.3006 58.9713 59.8237 171.5176 78 P 4.6190 0.0000 0.0000 62.9601 32.1819 175.9078 79 Q 4.6079 9.3915 120.3263 54.0230 31.7858 174.8055 80 I 4.0848 8.5133 126.0754 61.6425 37.1030 176.1689 81 I 4.1916 8.9449 129.0001 63.3454 38.2277 176.1040 82 E 4.7672 7.8397 120.5373 55.1348 33.2598 173.7059 83 C 5.3089 8.4217 125.6720 58.5023 34.5870 172.5920 84 M 4.4618 8.6479 121.9641 53.4501 34.4432 172.4873 85 P 4.1896 0.0000 0.0000 62.4614 32.1479 175.7257 86 I 4.5723 8.2023 115.6324 59.1642 40.1569 175.9920 87 R 4.0671 8.7435 122.7584 59.1552 30.2439 177.0247 88 R 4.5462 7.2418 110.2574 55.1367 31.7672 174.4599 89 R 4.4531 8.3013 117.8253 56.1831 30.8612 176.3545 90 N 4.7572 9.6736 116.4146 53.1184 41.6019 176.0659 91 F 4.3550 7.9643 116.1267 57.8432 37.9028 175.8711 92 E 4.4406 9.4074 124.1960 57.7722 27.3184 176.5897 93 V 3.7125 7.0780 109.7622 62.0612 32.2608 175.7323 94 W 5.1321 7.7970 120.5362 54.4747 31.7018 175.8198 95 S 4.3330 9.2242 118.9210 61.2193 62.3797 174.2614 96 M 4.6386 7.2954 115.6610 54.5086 34.6457 173.4397 97 Q 4.4851 7.9801 121.1750 54.1143 33.1649 173.4209 98 A 5.1478 8.3023 124.5837 50.1182 22.0880 175.4489 99 I 4.3999 8.6661 122.6282 59.4605 40.7031 174.6587 100 T 4.9433 8.5377 117.2246 60.5803 70.6379 174.2301 101 V 4.5337 8.8037 125.4200 61.4968 34.4652 174.0473 102 N 5.0234 9.3319 128.3812 53.1063 39.4663 175.0024 103 D 4.5404 8.7042 115.6653 55.6125 40.0071 172.4862 104 L 4.5951 7.6477 115.4961 55.3002 42.2578 176.9267 105 S 4.3988 7.6589 115.4803 58.1613 63.5115 174.8160 106 T 4.0072 8.3936 118.8327 64.1298 70.1599 175.2373 107 E 3.9728 8.7308 122.7960 59.6270 29.5396 179.4676 108 Q 3.9787 8.0517 119.0762 59.2680 29.1685 178.5610 109 V 3.6975 7.6471 118.6378 66.0587 31.7533 177.9787 110 K 4.1048 8.4924 118.6207 59.8205 31.8415 179.5282 111 T 3.9885 8.1437 116.1811 66.2610 68.1192 176.5977 112 L 4.1257 7.8846 121.6501 58.1864 42.3302 178.8442 113 V 3.8728 8.1440 118.1652 66.1526 31.5525 177.7019 114 L 4.0940 8.1237 119.9712 58.1041 41.6485 178.8027 115 K 3.8914 8.0916 118.7746 58.8087 32.1684 177.3078 116 Y 4.5726 7.5654 114.2923 57.2390 38.7903 174.6918 117 S 4.5762 7.5097 113.3001 57.1185 66.1434 174.6050 118 G 3.4166 8.5207 108.5352 47.7780 0.0000 172.9150 119 F 4.8637 7.4946 116.2605 56.3605 43.1181 174.2555 120 T 4.1842 8.7058 117.2435 65.5946 68.5951 175.2346 121 T 4.3849 7.6875 111.7281 59.5673 70.2328 174.0947 122 L 3.9293 7.8722 127.0908 54.9408 42.5203 176.8895 123 R 4.4589 8.1132 125.3369 53.2119 30.7173 174.1355 124 P 4.1708 0.0000 0.0000 65.4360 31.6713 178.5564 125 S 4.4765 8.0621 108.4536 58.8283 62.6801 174.0498 126 A 4.6678 7.9479 121.9116 52.1920 19.9459 176.3304 127 M 4.8025 7.6156 115.4643 53.2303 34.2598 176.3503 128 D 4.7121 8.9334 122.9697 52.0947 42.0081 175.8046 129 P 4.2254 0.0000 0.0000 65.9127 31.2147 178.5436 130 E 3.9851 8.2420 117.4223 59.3823 29.5684 178.7649 131 Q 4.2132 8.9285 118.5792 59.0367 28.7914 178.3543 132 C 4.1110 8.3535 118.0004 62.7045 28.1443 175.8308 133 L 4.0375 8.0257 121.7465 58.5564 41.6541 178.8993 134 N 4.3392 8.1702 116.3153 55.8667 38.3849 177.2846 135 F 3.4179 7.7464 122.2624 61.0511 39.4688 177.1465 136 L 3.9262 8.0641 118.5064 57.8064 41.3083 179.5784 137 L 3.9762 8.2680 119.0745 57.8762 41.4243 179.3696 138 D 4.3289 8.2253 119.0377 57.4762 40.6908 178.7692 139 I 3.7178 7.8323 119.1814 63.5375 37.6096 177.7063 140 A 4.3538 7.8907 121.6428 55.2139 18.3862 179.4505 141 K 4.1617 7.7582 115.9347 60.1133 32.6769 179.1336 142 I 3.8550 7.5029 120.2340 64.2966 37.1426 176.1709 143 Y 4.2556 7.9255 120.9022 58.2112 37.9830 175.2810 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 5 S 8.19 4.64 0.00 3.95 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.96 4.51 0.00 1.93 1.63 0.99 0.61 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 7 Y 9.68 5.17 0.00 3.02 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 8 R 8.82 5.23 0.00 1.90 1.71 0.00 3.15 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 9 L 9.20 5.25 0.00 1.73 1.49 0.48 0.66 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 10 I 8.93 5.17 1.88 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 1.27 0.54 0.88 0.00 0.00 11 Y 8.70 5.47 0.00 3.22 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 12 S 9.29 5.30 0.00 3.98 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 13 S 9.14 5.10 0.00 4.24 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 14 Q 8.94 4.84 0.00 1.72 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 15 G 9.37 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.78 4.14 2.04 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 1.53 0.85 1.01 0.00 0.00 17 P 0.00 4.32 0.00 2.08 2.19 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 18 N 8.00 4.71 0.00 2.70 2.86 0.00 0.00 6.91 7.85 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 19 L 7.36 4.16 0.00 1.69 1.54 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 9.08 4.70 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 21 P 0.00 4.24 0.00 2.15 2.13 0.00 3.60 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 22 Q 8.03 3.97 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 23 D 8.09 4.37 0.00 2.83 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 24 L 7.77 3.94 0.00 1.65 1.68 0.92 0.69 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 25 K 7.98 4.12 0.00 1.82 1.97 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.46 7.81 26 D 8.22 4.31 0.00 2.91 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 27 I 7.75 3.58 1.93 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.66 0.74 0.00 0.00 28 L 8.07 3.94 0.00 1.88 1.71 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.42 3.96 0.00 1.99 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 2.25 2.23 0.00 30 S 8.17 4.31 0.00 3.96 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.17 4.14 0.00 4.03 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 0.00 32 Q 8.20 4.00 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 33 R 7.78 4.04 0.00 2.06 2.04 0.00 3.24 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 34 N 8.21 4.61 0.00 2.78 2.83 0.00 0.00 7.03 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 35 N 8.38 4.38 0.00 2.94 3.14 0.00 0.00 7.02 8.26 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 36 P 0.00 4.26 0.00 2.17 2.14 0.00 3.55 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 2.24 2.21 0.00 37 A 7.98 4.05 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 38 N 7.80 4.62 0.00 2.99 2.87 0.00 0.00 6.97 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 39 G 7.80 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 0.00 0.00 0.00 40 I 7.76 4.55 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.92 0.96 0.00 0.00 41 T 9.64 5.14 4.54 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 1.28 0.00 0.00 42 G 7.35 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 43 L 7.26 4.73 0.00 1.87 1.09 0.70 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.84 5.09 0.00 1.71 1.59 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 C 9.39 5.27 0.00 3.03 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 46 Y 9.18 4.94 0.00 2.99 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 47 S 8.70 4.83 0.00 3.72 3.47 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 48 K 7.33 3.10 0.00 1.70 1.60 0.00 0.67 0.00 0.00 1.29 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.21 1.31 7.81 49 P 0.00 4.64 0.00 2.12 2.28 0.00 3.54 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 1.96 1.92 0.00 50 A 7.76 4.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.96 5.45 0.00 3.20 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 L 8.95 5.07 0.00 1.67 1.46 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.53 4.96 0.00 1.83 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 54 V 8.37 4.83 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 -0.12 0.00 0.00 0.84 0.00 0.00 55 L 9.14 5.27 0.00 1.63 1.65 1.15 0.80 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 56 E 10.49 5.20 0.00 1.92 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 2.34 2.35 0.00 57 G 8.10 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.21 4.59 0.00 2.04 1.85 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 2.44 2.31 0.00 59 C 9.22 3.48 0.00 2.67 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 60 E 8.06 3.87 0.00 2.03 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 0.00 2.36 2.38 0.00 61 Q 8.02 3.96 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.75 2.66 0.00 62 V 8.28 3.63 2.10 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 1.15 0.00 0.00 1.08 0.00 0.00 63 N 8.28 4.46 0.00 3.01 2.90 0.00 0.00 6.68 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 64 E 8.47 3.94 0.00 2.08 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 2.31 2.50 0.00 65 T 8.15 3.81 4.41 0.00 0.00 0.00 0.00 0.00 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 66 Y 8.34 3.94 0.00 2.96 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 67 H 8.14 3.86 0.00 3.14 3.30 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.85 3.94 0.00 1.95 2.04 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 69 I 7.85 3.56 1.68 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.53 0.77 0.00 0.00 70 V 7.12 3.38 1.80 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 -0.25 0.00 0.00 0.77 0.00 0.00 71 Q 7.44 4.19 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.83 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 72 D 7.94 4.40 0.00 2.69 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.72 4.20 0.00 2.03 1.85 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 2.23 1.90 0.00 74 R 8.70 4.38 0.00 1.89 2.00 0.00 3.05 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 75 H 7.78 5.43 0.00 3.47 3.41 0.00 5.55 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.86 4.79 0.00 3.23 3.44 0.00 5.42 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.72 3.85 0.00 4.10 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 78 P 0.00 4.62 0.00 2.23 1.92 0.00 3.71 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 79 Q 9.39 4.61 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.04 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 80 I 8.51 4.08 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.42 0.81 0.00 0.00 81 I 8.94 4.19 2.02 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 1.14 0.74 0.93 0.00 0.00 82 E 7.84 4.77 0.00 2.01 1.73 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 2.27 2.30 0.00 83 C 8.42 5.31 0.00 2.93 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 84 M 8.65 4.46 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 85 P 0.00 4.19 0.00 1.77 1.83 0.00 3.35 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.86 0.00 86 I 8.20 4.57 1.85 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 1.12 0.67 0.91 0.00 0.00 87 R 8.74 4.07 0.00 1.80 2.01 0.00 3.39 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 88 R 7.24 4.55 0.00 1.84 1.83 0.00 2.98 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 89 R 8.30 4.45 0.00 1.92 2.13 0.00 3.18 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 90 N 9.67 4.76 0.00 2.12 2.21 0.00 0.00 6.87 7.96 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 91 F 7.96 4.35 0.00 3.27 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 92 E 9.41 4.44 0.00 2.12 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 2.02 2.14 0.00 93 V 7.08 3.71 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 0.50 0.00 0.00 -0.13 0.00 0.00 94 W 7.80 5.13 0.00 3.62 2.91 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 95 S 9.22 4.33 0.00 4.02 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 0.00 96 M 7.30 4.64 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 97 Q 7.98 4.49 0.00 1.21 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 1.73 1.39 0.00 98 A 8.30 5.15 1.13 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 0.00 0.00 99 I 8.67 4.40 1.58 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.25 0.21 0.00 0.00 100 T 8.54 4.94 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 1.34 0.00 0.00 101 V 8.80 4.53 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 1.10 0.00 0.00 1.10 0.00 0.00 102 N 9.33 5.02 0.00 2.80 2.82 0.00 0.00 6.67 7.95 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 0.00 103 D 8.70 4.54 0.00 2.72 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 0.00 104 L 7.65 4.60 0.00 1.64 1.74 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.66 4.40 0.00 4.05 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 0.00 106 T 8.39 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 0.00 107 E 8.73 3.97 0.00 1.98 2.01 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 2.41 2.32 0.00 108 Q 8.05 3.98 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 109 V 7.65 3.70 2.29 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 1.21 0.00 0.00 1.00 0.00 0.00 110 K 8.49 4.10 0.00 1.99 1.89 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.51 1.68 7.81 111 T 8.14 3.99 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 112 L 7.88 4.13 0.00 1.87 2.11 1.20 0.96 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 0.00 113 V 8.14 3.87 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 1.00 0.00 0.00 1.20 0.00 0.00 114 L 8.12 4.09 0.00 2.02 1.84 0.89 0.09 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 0.00 115 K 8.09 3.89 0.00 1.93 1.91 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.99 1.32 7.81 116 Y 7.57 4.57 0.00 3.01 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 0.00 117 S 7.51 4.58 0.00 3.95 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 0.00 118 G 8.52 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 0.00 0.00 0.00 119 F 7.49 4.86 0.00 2.97 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 0.00 120 T 8.71 4.18 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 1.25 0.00 0.00 121 T 7.69 4.38 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 1.17 0.00 0.00 122 L 7.87 3.93 0.00 1.51 1.48 0.06 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.11 4.46 0.00 1.88 1.80 0.00 3.09 0.00 0.00 3.47 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 124 P 0.00 4.17 0.00 2.15 2.06 0.00 3.53 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 125 S 8.06 4.48 0.00 4.00 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 0.00 126 A 7.95 4.67 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 0.00 127 M 7.62 4.80 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 128 D 8.93 4.71 0.00 2.92 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 0.00 129 P 0.00 4.23 0.00 2.19 2.26 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.34 0.00 130 E 8.24 3.99 0.00 2.07 2.12 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 2.44 2.44 0.00 131 Q 8.93 4.21 0.00 2.33 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00 132 C 8.35 4.11 0.00 3.13 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 0.00 133 L 8.03 4.04 0.00 1.91 1.71 1.11 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.17 4.34 0.00 2.99 3.00 0.00 0.00 6.73 8.29 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 0.00 135 F 7.75 3.42 0.00 2.53 3.04 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 0.00 136 L 8.06 3.93 0.00 2.14 1.89 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.27 3.98 0.00 1.81 1.64 0.88 0.89 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 0.00 138 D 8.23 4.33 0.00 2.79 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 0.00 139 I 7.83 3.72 1.12 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 1.42 1.48 0.67 0.00 0.00 140 A 7.89 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.76 4.16 0.00 1.90 1.98 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.19 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.74 1.56 7.81 142 I 7.50 3.86 2.14 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 1.54 0.76 0.81 0.00 0.00 143 Y 7.93 4.26 0.00 2.84 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