NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3510 8.2644 123.5825 52.2630 19.5492 175.6647 3 R 4.2701 8.6034 122.1310 57.5111 32.5113 175.1811 4 R 4.1256 8.9441 116.7718 58.3179 30.0670 175.5406 5 R 4.7462 7.4356 114.1824 53.8797 33.8790 175.9859 6 R 3.7193 8.5047 117.5466 57.1320 30.1974 172.0299 7 A 3.6373 7.4175 126.2078 51.1498 17.4446 177.2389 8 E 4.0140 8.6559 121.4109 57.3798 30.1560 177.2998 9 V 4.0003 8.0436 122.1542 61.4861 32.6415 175.8530 10 R 3.9702 8.4515 125.9619 56.4898 30.1523 176.2638 11 Q 4.2466 8.5655 122.7629 55.2548 29.6374 175.7579 12 L 4.5916 8.1954 122.0574 53.2355 43.8889 175.6060 13 Q 4.3709 8.2572 119.3177 53.8435 29.5630 174.5289 14 P 4.4130 0.0000 0.0000 62.6166 32.0101 175.0235 15 D 4.6870 8.3425 116.9408 53.7515 41.8403 176.9020 16 L 4.0693 8.4629 123.8773 57.1046 41.6105 177.6882 17 V 3.6185 7.3940 117.9062 64.7782 31.8488 176.6110 18 Y 4.1779 7.7196 119.4732 61.3621 38.4212 177.7186 19 G 4.3157 8.6365 104.7216 44.6235 0.0000 172.2839 20 D 4.7459 7.9810 120.0306 53.0823 42.3135 177.5791 21 V 3.8096 8.3776 119.5771 63.7955 31.5908 178.2204 22 L 4.0838 7.9899 120.2300 57.9230 41.9241 178.6761 23 V 3.2360 7.6713 118.0353 66.1230 31.5077 177.7435 24 T 3.7928 7.9988 114.5667 66.7907 68.0858 176.0146 25 A 3.9579 7.7496 121.0405 55.1240 18.7887 178.9261 26 F 4.4595 8.2053 119.0636 61.7335 39.2131 177.1455 27 I 3.3794 7.6204 118.9774 64.6503 36.7586 177.9282 28 N 4.1147 7.9800 116.9703 56.7620 38.1934 177.4308 29 K 3.8652 7.7070 118.1211 58.7753 32.1410 179.0696 30 I 3.9187 8.2458 120.7589 62.5290 37.4085 176.2407 31 M 3.8198 6.7697 118.6436 56.0648 32.4234 175.4532 32 R 4.6238 8.3261 121.4621 55.2140 32.3816 174.8704 33 D 4.3524 9.3989 116.5963 56.5760 38.4978 173.8807 34 G 4.0918 8.2027 101.1656 46.2166 0.0000 175.5781 35 K 4.2660 7.8850 121.1458 55.1384 29.9999 176.8257 36 K 4.1393 8.0159 123.4964 57.7915 32.5073 177.0646 37 N 4.3868 7.9799 116.1474 56.2674 39.2209 176.1116 38 L 4.0720 7.7992 121.3386 57.9012 42.3574 178.1329 39 A 3.8715 7.8060 119.9658 55.3639 18.1260 179.6331 40 A 3.5889 7.5988 118.2808 55.2851 18.5129 179.8861 41 R 3.9418 7.8987 116.6437 59.5271 30.1373 179.0488 42 I 3.7071 7.7831 118.9538 64.5186 36.8873 177.9604 43 F 4.2106 7.5690 119.5454 62.0600 39.4141 176.0673 44 Y 4.5316 7.9877 116.1774 61.7862 37.5434 178.4502 45 D 3.9452 8.8470 119.5347 57.4778 40.8962 178.8828 46 A 4.1031 7.7910 120.0204 54.4736 18.5943 178.8321 47 C 4.1482 8.8648 116.8047 62.2981 28.5738 176.1014 48 K 3.9525 8.0241 119.5817 59.5757 31.6017 179.1975 49 I 3.8374 7.6145 120.1834 64.1673 36.9257 178.4590 50 I 3.8520 7.8602 121.0498 64.1401 36.6826 178.4607 51 Q 4.2099 7.8168 119.2176 58.5355 28.7826 178.0208 52 E 4.1241 7.9650 118.0243 58.6327 29.6028 178.6245 53 K 4.3979 7.9997 116.4504 56.0230 33.4321 176.8035 54 T 4.6111 7.9776 116.5109 61.5823 72.4437 174.6978 55 G 4.0258 8.5349 116.4516 44.5052 0.0000 172.1426 56 Q 4.5448 7.2136 115.3360 53.2416 33.7929 175.4242 57 E 4.2490 8.6269 119.5308 55.3396 30.4503 176.2515 58 P 4.2724 0.0000 0.0000 65.7284 31.1933 178.1545 59 L 3.5432 7.7678 119.6890 57.9713 41.9823 178.6687 60 K 3.9286 7.9516 118.9087 59.3601 32.2475 178.5226 61 V 3.5447 7.6082 118.0642 66.0910 31.3996 177.3480 62 F 4.1171 8.5263 120.5178 61.4955 39.1207 176.9131 63 K 3.5706 7.9489 117.2689 59.7906 32.0842 179.0053 64 Q 3.9677 8.2539 119.2338 58.9973 28.5717 178.4323 65 A 3.8497 7.4388 121.0101 55.2901 18.6779 179.1896 66 V 3.3929 7.3611 116.5355 66.1139 31.2568 177.7233 67 E 3.6993 8.2376 119.4309 59.4921 29.6332 178.1708 68 N 4.5686 7.8099 113.0511 54.2732 38.8929 175.6789 69 V 4.0825 8.3543 117.9999 62.9044 33.0071 174.8190 70 K 3.9653 8.1428 118.3351 55.9618 31.5234 174.4551 71 P 4.4890 0.0000 0.0000 62.6355 31.9758 176.6095 72 R 4.4958 8.2734 116.1948 56.3713 29.9606 175.9336 73 M 5.0239 7.6176 117.6393 54.3639 36.2714 173.6281 74 E 4.8051 8.8933 120.0038 55.4464 33.9778 173.7079 75 V 4.7675 8.3409 118.9834 61.5010 33.8924 175.5807 76 R 4.5238 8.2580 124.6821 54.5715 33.5972 174.4271 77 S 4.1947 8.7406 118.9520 59.3583 63.3410 173.8524 78 R 4.3275 8.2393 123.5578 55.6059 33.8190 174.6785 79 R 5.3537 8.5708 126.5541 54.9791 28.5107 174.5097 80 V 3.7244 7.5923 120.0395 61.7764 31.2529 175.3573 81 G 3.5995 8.5911 118.0666 46.6431 0.0000 171.7138 82 G 3.6887 8.7228 102.8143 45.3974 0.0000 173.9883 83 A 4.3059 7.0573 117.7734 50.5481 22.8716 176.7358 84 N 5.0085 8.5486 118.5135 52.5807 37.6877 172.6623 85 Y 4.7813 8.4695 120.8513 56.3317 39.9574 174.7444 86 Q 4.3593 8.8812 124.2436 56.0905 28.8681 176.4035 87 V 4.4915 8.3395 125.6677 59.7462 31.8824 172.7657 88 P 4.9346 0.0000 0.0000 63.5071 31.8273 175.3069 89 M 4.6742 8.7031 115.4275 54.2618 34.8516 173.7477 90 E 4.1360 8.8397 121.2235 56.6799 30.1453 176.6533 91 V 4.0739 8.3358 125.1736 62.0732 32.7800 175.8548 92 S 4.4810 8.4675 121.7437 56.7089 64.4169 173.0406 93 P 4.4431 0.0000 0.0000 65.5353 30.6605 178.4621 94 R 3.8203 7.8487 117.6439 59.3234 30.1030 178.3225 95 R 3.8451 7.6264 117.4078 59.5796 29.7727 177.9968 96 Q 3.9382 8.2281 117.8763 58.9796 28.2106 178.3715 97 Q 4.0048 7.9448 120.0693 59.6958 29.0058 179.5006 98 S 4.0844 7.8899 115.4448 61.7007 62.9163 176.7648 99 L 3.3989 8.1492 121.7412 57.8210 41.1890 178.7881 100 A 4.1589 8.1639 120.5845 55.0490 18.2313 179.2132 101 L 4.1663 7.9148 114.9166 58.2243 42.1506 180.0401 102 R 3.8908 7.7610 117.7620 59.3478 29.8797 178.3644 103 W 4.6439 8.2041 118.4497 59.2847 29.2203 178.5885 104 L 4.1935 8.6429 119.6494 57.5508 41.0181 179.4285 105 V 3.8822 7.9938 117.8269 65.5076 31.5686 178.1102 106 Q 4.1015 8.0684 116.4654 58.4614 28.7658 178.3656 107 A 4.2203 8.3378 121.7186 55.1609 18.8889 178.7714 108 A 3.9245 7.8302 118.2223 56.0002 18.2193 179.1659 109 N 4.4094 8.2413 112.9056 55.0364 38.8378 176.1152 110 Q 4.3573 8.2036 117.1176 56.3328 29.9505 176.4850 111 R 4.0589 8.2595 118.4678 56.0052 30.5549 175.3417 112 P 4.6531 0.0000 0.0000 63.4702 31.6943 176.4129 113 E 4.2595 7.4325 117.8184 56.4414 30.1560 177.2218 114 R 4.0796 8.4573 121.4402 59.3608 30.9634 178.1577 115 R 4.1210 7.7206 116.9110 55.9206 31.7923 177.6959 116 A 4.0403 8.5864 124.5636 55.0573 18.6065 179.8887 117 A 3.9743 7.9656 119.0060 55.1701 18.4074 179.8289 118 V 3.4757 7.7011 116.2115 66.3804 31.3125 178.0282 119 R 3.9243 7.8372 117.4883 59.6332 29.8900 179.1077 120 I 3.9188 7.7043 119.0530 64.1336 37.4492 177.8394 121 A 4.0383 7.9995 121.6837 56.0095 18.1821 179.5442 122 H 4.2692 8.7187 114.6741 58.9297 28.5901 177.7480 123 E 4.0586 7.9740 120.2111 59.0833 29.2798 178.6383 124 L 4.1724 7.9414 117.8910 57.0670 41.8047 178.6654 125 M 4.2434 7.4796 118.2118 57.9442 32.3513 178.1204 126 D 4.4297 8.1584 118.6176 57.7453 40.7914 178.0866 127 A 3.9887 8.0148 121.4467 54.2779 18.0178 178.9742 128 A 4.0774 7.8719 118.8727 55.3558 18.7862 179.4031 129 E 4.0830 7.7091 113.9565 57.1236 29.8969 176.9893 130 G 3.7938 10.3330 108.1377 45.5290 0.0000 172.9529 131 K 4.3467 8.2287 119.1058 56.7000 35.9697 175.2225 132 G 4.0954 9.8473 108.2838 45.2583 0.0000 176.4898 133 G 4.1199 8.5656 111.7162 45.0992 0.0000 174.1062 134 A 3.9897 8.1106 123.1476 54.7036 18.8734 179.2359 135 V 3.8011 7.5628 114.2828 64.2309 32.4587 177.7787 136 K 3.9481 7.6896 120.3843 59.2617 31.7137 178.0464 137 K 3.8646 7.8641 117.1862 57.3381 31.8091 178.6417 138 K 3.4769 6.7937 121.4637 58.9438 32.4942 178.3497 139 E 3.9815 8.0090 118.6554 59.1555 29.0785 179.0183 140 D 4.2695 7.8110 117.8306 57.1042 41.4577 178.1031 141 V 3.6913 7.0522 119.2283 66.0944 31.6783 177.7263 142 E 3.8911 8.2647 118.2643 59.5624 29.1608 179.1501 143 R 4.1744 7.8383 115.1940 57.7258 30.2184 177.3743 144 M 4.5287 8.6236 119.0728 56.5526 33.7261 176.7373 145 A 4.1034 8.0475 121.5609 55.1494 18.2111 178.1145 146 E 4.1985 7.7884 115.5477 56.5142 30.1568 178.6378 147 A 4.1802 7.3663 121.4521 54.4671 18.9023 179.1722 148 N 4.8561 7.7937 114.3892 53.0539 39.3143 176.4938 149 R 4.0488 8.0768 113.9039 57.3153 29.8589 176.8863 150 A 3.8904 7.4961 120.7145 54.7879 18.4203 178.4313 151 Y 4.4637 7.6175 111.4913 58.3130 38.6163 177.1590 152 A 4.4027 7.7083 123.6938 51.7265 15.6958 177.0156 153 H 4.7231 7.3078 114.3624 55.2517 31.0179 175.2056 154 Y 4.5715 8.5382 118.0862 59.0507 37.5864 177.8591 155 R 4.2505 9.3888 122.9926 56.4135 32.2692 174.8148 156 W 4.3093 8.3043 123.1465 57.1176 28.4543 174.1576 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 2 A 8.26 4.35 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 3 R 8.60 4.27 0.00 1.82 1.90 0.00 3.23 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 0.00 4 R 8.94 4.13 0.00 1.84 1.96 0.00 3.20 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 5 R 7.44 4.75 0.00 1.82 1.80 0.00 3.13 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 6 R 8.50 3.72 0.00 1.77 1.95 0.00 3.34 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 7 A 7.42 3.64 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 8 E 8.66 4.01 0.00 1.96 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 2.32 2.25 0.00 9 V 8.04 4.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.92 0.00 0.00 10 R 8.45 3.97 0.00 1.83 1.87 0.00 3.24 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 11 Q 8.57 4.25 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 12 L 8.20 4.59 0.00 1.61 1.59 0.97 0.95 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 13 Q 8.26 4.37 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 14 P 0.00 4.41 0.00 2.26 2.13 0.00 3.77 0.00 0.00 3.60 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 15 D 8.34 4.69 0.00 2.88 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 16 L 8.46 4.07 0.00 1.71 1.72 0.94 0.96 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 17 V 7.39 3.62 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 -0.00 0.00 0.00 0.52 0.00 0.00 18 Y 7.72 4.18 0.00 3.05 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 19 G 8.64 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.98 4.75 0.00 2.79 2.61 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 21 V 8.38 3.81 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 0.75 0.00 0.00 0.96 0.00 0.00 22 L 7.99 4.08 0.00 1.82 2.00 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.67 3.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.97 0.00 0.00 24 T 8.00 3.79 4.36 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 1.25 0.00 0.00 25 A 7.75 3.96 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 26 F 8.21 4.46 0.00 3.56 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 27 I 7.62 3.38 1.70 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.53 0.77 0.00 0.00 28 N 7.98 4.11 0.00 3.02 2.87 0.00 0.00 7.14 7.40 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 29 K 7.71 3.87 0.00 1.78 1.76 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.62 7.81 30 I 8.25 3.92 1.77 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.15 0.82 0.00 0.00 31 M 6.77 3.82 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.47 0.00 32 R 8.33 4.62 0.00 1.97 1.95 0.00 3.15 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 33 D 9.40 4.35 0.00 2.77 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 34 G 8.20 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 35 K 7.88 4.27 0.00 1.78 1.75 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.75 7.81 36 K 8.02 4.14 0.00 1.79 1.76 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.43 7.81 37 N 7.98 4.39 0.00 2.75 2.82 0.00 0.00 6.96 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.80 4.07 0.00 1.78 1.77 0.92 0.94 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 39 A 7.81 3.87 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 40 A 7.60 3.59 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 41 R 7.90 3.94 0.00 2.04 2.04 0.00 3.18 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 42 I 7.78 3.71 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 0.93 0.00 0.00 43 F 7.57 4.21 0.00 2.80 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.99 4.53 0.00 3.28 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 45 D 8.85 3.95 0.00 2.74 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 46 A 7.79 4.10 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 47 C 8.86 4.15 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 48 K 8.02 3.95 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.49 7.81 49 I 7.61 3.84 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.98 0.96 0.00 0.00 50 I 7.86 3.85 2.06 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 1.53 0.69 0.91 0.00 0.00 51 Q 7.82 4.21 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.10 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 52 E 7.96 4.12 0.00 1.97 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 2.35 2.35 0.00 53 K 8.00 4.40 0.00 1.86 1.85 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.56 7.81 54 T 7.98 4.61 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 1.25 0.00 0.00 55 G 8.53 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 56 Q 7.21 4.54 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 57 E 8.63 4.25 0.00 2.03 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 2.43 2.38 0.00 58 P 0.00 4.27 0.00 2.17 2.30 0.00 3.76 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 59 L 7.77 3.54 0.00 1.36 1.64 0.75 0.39 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 60 K 7.95 3.93 0.00 1.87 1.93 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.50 7.81 61 V 7.61 3.54 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 0.95 0.00 0.00 0.98 0.00 0.00 62 F 8.53 4.12 0.00 3.13 3.27 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 63 K 7.95 3.57 0.00 2.01 1.80 0.00 1.74 0.00 0.00 1.57 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.73 7.81 64 Q 8.25 3.97 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 65 A 7.44 3.85 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 66 V 7.36 3.39 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 0.83 0.00 0.00 0.19 0.00 0.00 67 E 8.24 3.70 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 68 N 7.81 4.57 0.00 3.02 2.82 0.00 0.00 6.87 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 69 V 8.35 4.08 2.15 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 0.98 0.00 0.00 0.99 0.00 0.00 70 K 8.14 3.97 0.00 1.79 1.82 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.73 7.81 71 P 0.00 4.49 0.00 2.31 2.19 0.00 3.94 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.58 0.00 72 R 8.27 4.50 0.00 1.96 2.07 0.00 3.05 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 73 M 7.62 5.02 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 74 E 8.89 4.81 0.00 2.05 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 2.22 2.30 0.00 75 V 8.34 4.77 2.15 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 0.92 0.00 0.00 1.00 0.00 0.00 76 R 8.26 4.52 0.00 2.04 1.87 0.00 3.29 0.00 0.00 3.18 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 77 S 8.74 4.19 0.00 3.90 3.81 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 78 R 8.24 4.33 0.00 1.90 1.67 0.00 3.10 0.00 0.00 3.02 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.51 0.00 79 R 8.57 5.35 0.00 1.64 1.76 0.00 3.35 0.00 0.00 3.70 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.34 0.00 80 V 7.59 3.72 1.79 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 0.44 0.00 0.00 0.46 0.00 0.00 81 G 8.59 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 0.00 0.00 0.00 0.00 82 G 8.72 3.69 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 0.00 0.00 0.00 83 A 7.06 4.31 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.55 5.01 0.00 2.61 2.80 0.00 0.00 6.92 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 85 Y 8.47 4.78 0.00 2.70 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 8.88 4.36 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.09 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 87 V 8.34 4.49 2.35 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 1.21 0.00 0.00 1.26 0.00 0.00 88 P 0.00 4.93 0.00 2.16 2.27 0.00 4.10 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 2.07 2.07 0.00 89 M 8.70 4.67 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 90 E 8.84 4.14 0.00 1.83 1.90 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 2.31 2.32 0.00 91 V 8.34 4.07 2.08 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 0.78 0.00 0.00 0.95 0.00 0.00 92 S 8.47 4.48 0.00 3.97 3.85 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 93 P 0.00 4.44 0.00 2.25 2.34 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.87 0.00 94 R 7.85 3.82 0.00 1.91 1.92 0.00 3.20 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 95 R 7.63 3.85 0.00 1.89 1.97 0.00 3.10 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 96 Q 8.23 3.94 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.47 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 97 Q 7.94 4.00 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 98 S 7.89 4.08 0.00 4.01 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 99 L 8.15 3.40 0.00 1.68 1.00 0.79 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.16 4.16 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 0.00 101 L 7.91 4.17 0.00 1.81 2.04 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.76 3.89 0.00 1.71 1.77 0.00 2.76 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 103 W 8.20 4.64 0.00 3.78 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 0.00 104 L 8.64 4.19 0.00 2.25 2.03 0.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.99 3.88 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 1.00 0.00 0.00 0.79 0.00 0.00 106 Q 8.07 4.10 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.69 0.00 107 A 8.34 4.22 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 0.00 108 A 7.83 3.92 1.49 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 0.00 0.00 109 N 8.24 4.41 0.00 2.77 2.91 0.00 0.00 7.15 7.83 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 0.00 110 Q 8.20 4.36 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.82 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 111 R 8.26 4.06 0.00 1.87 1.89 0.00 3.17 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 112 P 0.00 4.65 0.00 2.18 2.16 0.00 3.78 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 2.00 2.00 0.00 113 E 7.43 4.26 0.00 2.03 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 2.35 2.28 0.00 114 R 8.46 4.08 0.00 1.80 1.98 0.00 3.21 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 115 R 7.72 4.12 0.00 1.84 1.84 0.00 3.12 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 116 A 8.59 4.04 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 0.00 117 A 7.97 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 7.70 3.48 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 1.02 0.00 0.00 0.91 0.00 0.00 119 R 7.84 3.92 0.00 2.10 2.03 0.00 3.18 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.99 0.00 120 I 7.70 3.92 2.12 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 1.52 0.87 1.22 0.00 0.00 121 A 8.00 4.04 1.54 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 0.00 0.00 122 H 8.72 4.27 0.00 3.19 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 7.97 4.06 0.00 2.36 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 0.00 2.58 2.47 0.00 124 L 7.94 4.17 0.00 1.93 1.78 1.12 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 125 M 7.48 4.24 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.57 0.00 126 D 8.16 4.43 0.00 2.79 2.74 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 0.00 127 A 8.01 3.99 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 0.00 128 A 7.87 4.08 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 0.00 129 E 7.71 4.08 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 2.33 2.46 0.00 130 G 10.33 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 0.00 131 K 8.23 4.35 0.00 1.80 1.77 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.43 7.81 132 G 9.85 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 0.00 0.00 0.00 0.00 133 G 8.57 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 0.00 0.00 0.00 134 A 8.11 3.99 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 0.00 135 V 7.56 3.80 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 0.92 0.00 0.00 0.95 0.00 0.00 136 K 7.69 3.95 0.00 1.76 1.77 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.41 7.81 137 K 7.86 3.86 0.00 1.01 0.74 0.00 1.53 0.00 0.00 1.44 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.43 7.81 138 K 6.79 3.48 0.00 1.69 1.81 0.00 1.76 0.00 0.00 1.60 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.67 7.81 139 E 8.01 3.98 0.00 1.99 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 0.00 2.29 2.41 0.00 140 D 7.81 4.27 0.00 2.71 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 0.00 141 V 7.05 3.69 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 1.12 0.00 0.00 0.96 0.00 0.00 142 E 8.26 3.89 0.00 2.05 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 2.48 2.51 0.00 143 R 7.84 4.17 0.00 2.05 1.96 0.00 3.09 0.00 0.00 3.20 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 144 M 8.62 4.53 0.00 2.00 2.27 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.81 0.00 145 A 8.05 4.10 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 0.00 146 E 7.79 4.20 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 147 A 7.37 4.18 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 0.00 148 N 7.79 4.86 0.00 2.82 2.97 0.00 0.00 6.72 9.00 0.00 0.00 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 R 8.08 4.05 0.00 1.78 1.88 0.00 3.37 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 150 A 7.50 3.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.62 4.46 0.00 3.12 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 0.00 152 A 7.71 4.40 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 0.00 153 H 7.31 4.72 0.00 3.09 3.18 0.00 5.49 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 8.54 4.57 0.00 3.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 R 9.39 4.25 0.00 1.62 1.70 0.00 3.00 0.00 0.00 2.76 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 156 W 8.30 4.31 0.00 3.51 3.48 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