NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9662 8.3549 109.7393 45.6555 0.0000 173.4599 2 L 4.3967 8.3041 124.3084 51.0510 43.4907 175.3148 3 S 4.4894 9.4739 118.8053 57.8915 66.0758 174.9116 4 D 4.6492 8.8129 122.1893 57.7263 40.5334 179.4104 5 G 3.6613 8.1221 105.4894 47.8942 0.0000 175.4212 6 E 3.9073 8.2033 121.0651 58.9552 29.4637 179.4626 7 W 4.3695 8.2924 119.1896 59.8406 29.0960 178.3136 8 Q 4.0807 8.5373 119.6856 59.2960 28.4238 178.4335 9 Q 4.0417 8.1715 119.1021 58.8820 28.7171 178.6936 10 V 3.6948 8.0486 119.3967 66.3502 31.7059 178.1058 11 L 4.2452 8.3552 118.1479 57.1555 41.2319 179.0368 12 N 4.3412 8.1482 116.8872 56.7011 39.2745 176.6329 13 V 3.7216 8.1022 119.8361 65.8811 31.5576 177.7352 14 W 4.1620 8.7014 128.2980 60.3203 30.2600 177.9962 15 G 3.6618 7.8796 104.6336 47.7668 0.0000 175.4870 16 K 4.0154 7.8432 120.5993 59.1503 32.0202 179.6191 17 V 2.7266 7.0421 117.9892 65.6830 31.1442 177.7545 18 E 3.8423 7.5577 116.5336 58.6478 29.2642 178.7651 19 A 4.2009 7.2630 119.2804 53.9133 19.8069 177.6606 20 D 4.6600 7.7684 116.4650 52.3623 42.7446 175.2475 21 I 3.6182 7.8204 123.3336 63.5478 38.4967 176.6512 22 A 4.1444 7.4139 122.7267 54.4372 18.3123 179.7001 23 G 3.6796 8.1698 105.5606 47.8259 0.0000 175.7051 24 H 4.1495 8.3655 119.2866 58.3021 28.6715 178.2481 25 G 3.5152 8.3579 107.8751 47.6594 0.0000 175.3862 26 Q 3.8434 8.3341 122.6405 59.1491 29.0128 178.5548 27 E 3.8599 8.0058 119.3176 59.1160 29.3671 179.5441 28 V 3.5074 7.9334 118.5783 66.0621 31.6003 178.1858 29 L 3.4383 7.6678 118.6629 57.4980 41.2559 179.5916 30 I 3.5832 7.6920 119.9990 64.1775 37.0348 178.3205 31 R 3.7843 7.9984 119.6822 59.2602 29.8653 178.2580 32 L 3.9402 7.8218 119.9625 58.4204 41.7165 179.0890 33 F 4.5951 8.2078 118.3586 60.6574 38.5615 177.8049 34 T 4.1193 8.1071 109.1527 64.5178 68.9291 176.9598 35 G 3.6459 7.9583 107.6522 46.2388 0.0000 173.6315 36 H 4.7829 8.1327 117.6151 51.9757 29.5767 171.8799 37 P 4.4518 0.0000 0.0000 64.4828 31.3405 177.4729 38 E 4.0978 8.3036 116.3752 59.5698 29.2722 179.2091 39 T 3.8417 8.2254 111.2745 64.5432 68.7538 176.2750 40 L 3.4834 7.8526 122.8918 57.8257 41.7799 178.6223 41 E 4.1016 7.8601 117.3194 58.4349 29.4622 178.6695 42 K 4.4579 8.0437 117.6590 56.9549 32.7813 177.3128 43 F 4.6074 8.2302 119.0618 55.3161 39.5925 175.3975 44 D 4.4190 8.6108 125.0407 57.2781 40.8295 179.1895 45 K 4.2598 7.8494 114.5897 57.8854 33.0694 177.5349 46 F 5.0381 7.9546 117.7295 57.0937 39.9095 176.8307 47 K 3.8275 7.6561 117.5880 59.9445 31.9836 178.2300 48 H 4.5500 8.1500 113.2079 57.0782 29.5687 176.3776 49 L 4.2424 7.3072 122.4017 54.5034 39.2494 176.6111 50 K 4.2292 8.9445 121.6127 57.4874 33.0661 177.7916 51 T 4.7395 7.5108 108.7198 58.9168 73.2367 174.1958 52 E 3.9191 8.6792 121.7850 59.2345 29.6514 178.9080 53 A 3.9721 7.9561 120.5228 55.2342 18.2914 179.2567 54 E 3.9281 7.9259 115.8494 59.7095 29.9298 179.1833 55 M 4.1326 8.0305 118.6827 58.3919 31.8556 178.7318 56 K 4.0254 8.3950 118.3543 59.2593 32.4544 177.9377 57 A 4.4424 7.9408 118.5986 51.9942 18.8351 177.1241 58 S 4.3660 7.5731 113.3494 57.3454 62.3350 174.6335 59 E 4.0657 8.7853 128.9585 59.3141 29.1924 178.7199 60 D 4.4248 8.1705 117.9972 57.0347 41.3554 177.7449 61 L 3.6402 8.1621 121.1390 57.9057 42.0047 178.9200 62 K 3.8903 7.8725 119.4934 59.2666 32.1578 178.6117 63 K 3.9459 8.3581 120.1386 59.9632 32.0634 178.2829 64 H 4.4279 8.8172 118.7638 59.1091 29.7318 177.3866 65 G 3.6143 8.3746 107.8222 48.0494 0.0000 175.7996 66 T 3.8786 8.0987 118.0966 66.3287 68.4797 176.8623 67 V 3.7154 7.8650 120.0925 65.9676 31.5496 178.1959 68 V 3.5907 7.9945 118.1014 66.2593 31.4504 178.0969 69 L 4.2705 8.2316 118.6594 57.8198 41.4288 179.5769 70 T 4.0111 8.3373 116.0387 66.5535 68.3947 176.4789 71 A 3.9732 8.0792 122.6593 55.0760 18.4080 179.3913 72 L 3.7025 8.1233 119.0837 58.1191 41.8699 179.3551 73 G 2.9768 8.2517 105.1304 47.4418 0.0000 175.4652 74 G 3.7420 7.7384 107.1036 47.5860 0.0000 175.5958 75 I 3.8495 7.5502 122.1884 64.0939 37.1174 178.5243 76 L 3.9677 7.8726 120.2041 57.6945 41.1898 179.6115 77 K 3.9469 7.9786 116.2969 58.3185 32.3286 178.3291 78 K 4.0053 7.7608 117.9738 55.4854 32.7961 176.3943 79 K 2.0000 8.2573 118.5262 56.3767 29.8120 175.5303 80 G 3.9426 7.7416 106.1829 46.0823 0.0000 173.8276 81 H 4.5215 7.3978 118.6347 55.5203 27.3958 174.9796 82 H 5.3257 7.4023 110.9385 54.2516 29.7718 176.0351 83 E 3.9218 8.5403 122.3939 60.0699 29.1203 178.6012 84 A 3.9996 7.9501 118.7422 55.2067 19.0694 178.8969 85 E 4.1174 8.0960 116.5697 58.9107 29.6943 178.7708 86 L 3.9773 8.2351 120.5725 57.3873 42.2569 178.3061 87 K 3.8211 8.2863 120.3208 59.2755 31.9982 176.7866 88 P 4.2409 0.0000 0.0000 65.9207 31.0997 178.2839 89 L 4.0390 7.5052 116.6673 57.4398 41.5626 179.1964 90 A 4.0586 8.3205 121.0931 55.4216 18.2627 179.7860 91 Q 3.9448 8.4250 117.0202 58.9924 28.7589 179.0733 92 S 3.9974 8.3956 115.6769 61.8707 63.0324 176.3615 93 H 4.1603 8.5880 119.6236 58.0146 27.9898 177.7958 94 A 2.5800 7.8768 122.7020 54.8295 18.0069 179.7119 95 T 3.7615 7.4388 112.5879 65.4121 68.8543 176.2300 96 K 4.0761 7.4461 119.8379 58.7429 32.8281 177.1612 97 H 4.3678 7.8037 113.6389 55.8753 29.4032 175.3392 98 K 3.6703 7.4429 116.5129 56.4177 28.8987 176.4391 99 I 4.3126 7.9695 119.6764 59.0529 37.9562 175.0621 100 P 4.4721 0.0000 0.0000 62.1309 32.0156 177.6217 101 I 3.6573 8.5458 120.5855 64.0891 37.7030 177.9807 102 K 3.5946 7.9946 120.1419 59.8851 31.8516 178.1061 103 Y 4.1148 7.9155 116.6290 60.8130 37.7591 178.2632 104 L 4.2001 7.8582 119.8070 57.3788 41.7518 178.8055 105 E 3.9669 8.0510 119.5445 59.3468 29.6115 178.7572 106 F 4.5131 8.0731 117.9284 60.9502 38.9553 177.5843 107 I 3.9047 8.2101 117.9916 63.8124 37.8348 178.0874 108 S 4.2038 8.3238 116.3648 61.7957 62.6580 176.3360 109 D 4.4661 8.4739 121.3331 57.3339 40.4614 178.7297 110 A 4.0363 8.2432 121.3308 55.1232 18.3228 179.6763 111 I 3.6640 8.0394 118.3985 64.6789 37.2143 178.6812 112 I 3.8362 7.7776 120.3564 64.6491 36.8703 177.9670 113 H 4.1566 8.5385 119.1629 59.3985 29.6537 177.5148 114 V 3.5450 8.1933 120.3682 65.8378 31.3364 177.9048 115 L 3.7987 7.9968 118.8749 58.1464 41.4026 179.2986 116 H 4.3925 8.2442 116.1204 58.9156 28.4084 177.8822 117 S 4.1628 8.0953 114.4792 60.8622 62.3086 175.6501 118 K 4.1713 8.1049 119.6463 57.0911 33.2822 176.3868 119 H 4.9893 7.9891 116.4585 53.9624 29.4549 171.8946 120 P 4.5957 0.0000 0.0000 63.4289 32.0515 177.5154 121 G 3.9651 9.0664 109.8075 45.8900 0.0000 173.1008 122 D 4.9494 8.3007 117.6642 53.6974 41.6411 176.0894 123 F 4.9315 7.9416 119.8291 55.4712 39.5254 174.7858 124 G 3.8747 7.9876 113.0708 42.9330 0.0000 170.6278 125 A 3.9003 8.3199 121.0105 55.0000 18.2421 179.4796 126 D 4.1984 7.9569 116.8973 56.6237 39.4534 178.4405 127 A 3.9673 7.8110 122.2344 54.6986 18.3568 179.2080 128 Q 3.6031 7.9455 118.5365 58.9584 29.0480 178.5817 129 G 3.5489 8.0595 106.5596 47.7233 0.0000 175.5656 130 A 3.8559 8.0691 123.4347 55.0688 18.4659 179.4162 131 M 4.0440 8.3847 117.0810 59.0463 32.2110 178.5572 132 T 3.9226 8.2943 116.2634 66.5694 68.5649 176.7151 133 K 4.0209 8.0749 120.1396 59.4528 32.0605 179.2874 134 A 3.8409 7.9645 120.9688 55.1312 18.2002 179.7467 135 L 4.1062 8.1695 117.5362 57.7612 41.6027 179.5672 136 E 3.9895 8.5157 119.0307 59.1952 29.3833 179.0273 137 L 3.9737 8.2060 120.5774 58.0536 42.2051 178.5379 138 F 4.1520 8.4031 120.5563 61.5483 39.2480 176.9675 139 R 3.5621 8.3645 118.2762 59.4575 29.8677 177.9923 140 N 4.2469 8.5134 117.1588 56.7583 38.7679 176.6639 141 D 4.3582 8.2467 120.4294 57.0968 40.8145 178.7395 142 I 3.4317 7.4586 120.1892 64.2639 36.9605 178.2884 143 A 3.7579 8.0384 121.6286 54.9537 18.2175 179.4905 144 A 3.9307 7.9680 119.3540 55.3311 18.4837 180.0834 145 K 4.0244 7.8440 117.0086 59.6527 32.0999 179.1312 146 Y 4.2994 8.5194 117.5786 61.0922 37.8332 178.7026 147 K 3.9562 8.4770 120.6589 59.4220 32.0873 178.1134 148 E 3.9501 7.8609 118.2054 59.5618 29.6441 178.4898 149 L 4.2997 7.8768 115.5701 54.6380 41.8688 177.4461 150 G 3.9107 7.8297 106.7397 46.2132 0.0000 173.3505 151 F 4.2864 8.2910 121.9872 58.1550 39.9975 175.5025 152 Q 3.3791 7.6826 125.4067 56.3469 28.5036 173.3603 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 1 G 8.35 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 2 L 8.30 4.40 0.00 0.65 0.73 0.51 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.47 4.49 0.00 4.06 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 4 D 8.81 4.65 0.00 2.85 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.12 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 6 E 8.20 3.91 0.00 2.05 1.72 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 2.22 2.27 0.00 7 W 8.29 4.37 0.00 3.55 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 8 Q 8.54 4.08 0.00 2.30 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 9 Q 8.17 4.04 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 10 V 8.05 3.69 2.48 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 1.28 0.00 0.00 0.86 0.00 0.00 11 L 8.36 4.25 0.00 1.85 1.80 0.93 0.52 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 12 N 8.15 4.34 0.00 2.91 3.07 0.00 0.00 7.12 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.10 3.72 2.38 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 0.84 0.00 0.00 1.19 0.00 0.00 14 W 8.70 4.16 0.00 3.63 3.25 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 15 G 7.88 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 16 K 7.84 4.02 0.00 1.67 1.53 0.00 1.51 0.00 0.00 1.31 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 17 V 7.04 2.73 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 0.08 0.00 0.00 0.28 0.00 0.00 18 E 7.56 3.84 0.00 1.97 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 2.29 2.04 0.00 19 A 7.26 4.20 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 20 D 7.77 4.66 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 21 I 7.82 3.62 1.77 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.32 0.89 0.00 0.00 22 A 7.41 4.14 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 23 G 8.17 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 0.00 0.00 0.00 24 H 8.37 4.15 0.00 3.08 3.23 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.36 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.33 3.84 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 27 E 8.01 3.86 0.00 2.10 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 2.25 2.42 0.00 28 V 7.93 3.51 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.95 0.00 0.00 29 L 7.67 3.44 0.00 1.33 0.72 0.81 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.69 3.58 1.77 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 1.33 0.58 0.86 0.00 0.00 31 R 8.00 3.78 0.00 1.92 2.10 0.00 3.04 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 32 L 7.82 3.94 0.00 1.79 1.48 1.08 0.96 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 33 F 8.21 4.60 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 34 T 8.11 4.12 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 1.23 0.00 0.00 35 G 7.96 3.65 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 0.00 0.00 0.00 36 H 8.13 4.78 0.00 3.07 3.00 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.45 0.00 2.15 2.10 0.00 3.84 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 2.09 1.99 0.00 38 E 8.30 4.10 0.00 2.30 2.30 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 2.21 2.57 0.00 39 T 8.23 3.84 4.49 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 0.77 0.00 0.00 40 L 7.85 3.48 0.00 1.35 1.71 -0.07 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.86 4.10 0.00 2.16 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 2.38 2.54 0.00 42 K 8.04 4.46 0.00 1.94 1.76 0.00 1.94 0.00 0.00 1.79 0.00 0.00 3.23 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.75 1.99 7.81 43 F 8.23 4.61 0.00 3.22 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 44 D 8.61 4.42 0.00 2.67 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 45 K 7.85 4.26 0.00 1.65 1.76 0.00 1.39 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.98 0.21 7.81 46 F 7.95 5.04 0.00 2.79 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 K 7.66 3.83 0.00 1.92 1.91 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.21 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.50 1.74 7.81 48 H 8.15 4.55 0.00 3.30 3.47 0.00 5.72 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 49 L 7.31 4.24 0.00 1.66 1.60 0.80 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.94 4.23 0.00 1.87 1.85 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.65 1.52 7.81 51 T 7.51 4.74 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 1.21 0.00 0.00 52 E 8.68 3.92 0.00 2.04 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 2.35 2.35 0.00 53 A 7.96 3.97 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 54 E 7.93 3.93 0.00 2.16 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 2.37 2.36 0.00 55 M 8.03 4.13 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.52 0.00 56 K 8.40 4.03 0.00 1.84 1.92 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 57 A 7.94 4.44 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.57 4.37 0.00 4.07 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 59 E 8.79 4.07 0.00 2.06 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 2.42 2.32 0.00 60 D 8.17 4.42 0.00 2.91 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 61 L 8.16 3.64 0.00 1.42 1.68 0.66 0.33 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 62 K 7.87 3.89 0.00 1.80 1.97 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.58 7.81 63 K 8.36 3.95 0.00 2.03 2.10 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.51 7.81 64 H 8.82 4.43 0.00 3.66 3.57 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.37 3.61 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 66 T 8.10 3.88 4.45 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 1.24 0.00 0.00 67 V 7.87 3.72 2.22 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 1.05 0.00 0.00 1.03 0.00 0.00 68 V 7.99 3.59 2.22 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 1.05 0.00 0.00 0.97 0.00 0.00 69 L 8.23 4.27 0.00 1.80 1.89 0.85 0.79 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 70 T 8.34 4.01 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 1.26 0.00 0.00 71 A 8.08 3.97 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 72 L 8.12 3.70 0.00 1.59 1.74 0.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.25 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 0.00 0.00 0.00 74 G 7.74 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 0.00 0.00 0.00 75 I 7.55 3.85 1.89 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.82 0.96 0.00 0.00 76 L 7.87 3.97 0.00 1.24 1.54 0.19 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.98 3.95 0.00 1.75 1.78 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.50 7.81 78 K 7.76 4.01 0.00 1.88 1.92 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.56 1.77 7.81 79 K 8.26 2.00 0.00 1.13 0.74 0.00 1.35 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.47 1.00 7.81 80 G 7.74 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 81 H 7.40 4.52 0.00 3.18 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.40 5.33 0.00 3.26 3.41 0.00 5.65 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 83 E 8.54 3.92 0.00 2.04 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 2.40 2.35 0.00 84 A 7.95 4.00 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 85 E 8.10 4.12 0.00 2.22 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 2.38 2.42 0.00 86 L 8.24 3.98 0.00 1.69 1.66 0.69 0.61 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 87 K 8.29 3.82 0.00 1.89 1.88 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 P 0.00 4.24 0.00 2.32 2.31 0.00 3.70 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 2.25 2.14 0.00 89 L 7.51 4.04 0.00 1.96 1.79 1.02 0.78 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 90 A 8.32 4.06 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 91 Q 8.43 3.94 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 92 S 8.40 4.00 0.00 3.94 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 93 H 8.59 4.16 0.00 3.50 3.57 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.88 2.58 0.43 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 95 T 7.44 3.76 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 1.11 0.00 0.00 96 K 7.45 4.08 0.00 1.53 1.60 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.16 1.33 7.81 97 H 7.80 4.37 0.00 3.05 3.16 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.44 3.67 0.00 1.94 2.01 0.00 1.89 0.00 0.00 2.47 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.35 7.81 99 I 7.97 4.31 2.10 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.99 1.19 0.00 0.00 100 P 0.00 4.47 0.00 1.67 1.68 0.00 2.43 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 1.24 1.75 0.00 101 I 8.55 3.66 1.91 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.11 0.89 0.00 0.00 102 K 7.99 3.59 0.00 1.75 1.60 0.00 1.63 0.00 0.00 1.79 0.00 0.00 3.24 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 0.61 7.81 103 Y 7.92 4.11 0.00 3.21 3.09 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 0.00 104 L 7.86 4.20 0.00 1.81 1.75 0.70 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.05 3.97 0.00 1.99 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 0.00 2.40 2.39 0.00 106 F 8.07 4.51 0.00 3.24 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 0.00 107 I 8.21 3.90 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 1.13 0.00 0.00 108 S 8.32 4.20 0.00 4.20 3.99 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 0.00 109 D 8.47 4.47 0.00 3.00 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 0.00 110 A 8.24 4.04 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 0.00 111 I 8.04 3.66 2.10 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 1.58 0.71 0.98 0.00 0.00 112 I 7.78 3.84 2.14 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.94 1.15 0.00 0.00 113 H 8.54 4.16 0.00 3.31 3.50 0.00 5.78 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 0.00 114 V 8.19 3.54 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 0.98 0.00 0.00 0.99 0.00 0.00 115 L 8.00 3.80 0.00 1.24 0.33 0.51 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.24 4.39 0.00 3.37 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.10 4.16 0.00 3.73 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 0.00 118 K 8.10 4.17 0.00 1.57 1.46 0.00 1.56 0.00 0.00 1.25 0.00 0.00 2.52 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.24 1.39 7.81 119 H 7.99 4.99 0.00 3.25 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.60 0.00 2.19 2.08 0.00 3.42 0.00 0.00 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 121 G 9.07 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 0.00 122 D 8.30 4.95 0.00 2.63 2.80 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 0.00 123 F 7.94 4.93 0.00 2.79 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.99 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 0.00 125 A 8.32 3.90 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 0.00 126 D 7.96 4.20 0.00 2.99 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 0.00 127 A 7.81 3.97 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 0.00 0.00 128 Q 7.95 3.60 0.00 1.22 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 129 G 8.06 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.07 3.86 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 0.00 131 M 8.38 4.04 0.00 2.40 2.31 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.79 0.00 132 T 8.29 3.92 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 0.00 133 K 8.07 4.02 0.00 1.82 1.67 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.50 7.81 134 A 7.96 3.84 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 0.00 135 L 8.17 4.11 0.00 1.78 1.82 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.52 3.99 0.00 2.23 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 2.35 2.44 0.00 137 L 8.21 3.97 0.00 1.88 1.98 0.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.40 4.15 0.00 3.13 3.26 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 0.00 139 R 8.36 3.56 0.00 2.13 2.02 0.00 3.22 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 140 N 8.51 4.25 0.00 2.96 2.89 0.00 0.00 7.27 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 0.00 141 D 8.25 4.36 0.00 2.76 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 0.00 142 I 7.46 3.43 1.46 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.16 0.10 0.00 0.00 143 A 8.04 3.76 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 0.00 144 A 7.97 3.93 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 0.00 145 K 7.84 4.02 0.00 1.96 1.93 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.61 1.61 7.81 146 Y 8.52 4.30 0.00 3.13 3.09 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 0.00 147 K 8.48 3.96 0.00 1.85 1.99 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.86 3.95 0.00 2.19 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 0.00 2.34 2.39 0.00 149 L 7.88 4.30 0.00 1.85 1.69 0.87 0.92 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 0.00 150 G 7.83 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.29 4.29 0.00 2.71 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 0.00 152 Q 7.68 3.38 0.00 1.43 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.42 0.00 0.00 0.00 0.00 0.00 1.79 2.02 0.00