NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4003 8.3349 116.7701 58.7396 64.2962 173.2594 3 H 4.9130 8.2122 120.7600 51.8296 34.0522 171.9144 4 P 4.2411 0.0000 0.0000 66.2663 31.7224 178.1062 5 D 4.4742 8.0195 116.6390 57.4186 41.1364 178.4504 6 L 3.9731 7.9973 120.0303 58.0623 41.9175 178.4186 7 N 4.5011 8.0621 116.0875 55.7915 38.4848 177.4695 8 K 4.0665 8.3436 120.5534 59.0513 32.1523 179.1225 9 L 4.1021 7.7764 120.4463 57.7747 41.8976 178.5611 10 L 4.0460 7.6963 119.3302 57.9535 42.1399 178.3017 11 E 4.1323 8.1633 118.1373 59.5323 29.8742 178.5472 12 L 4.2112 8.2916 119.2177 57.3460 41.7485 178.9184 13 W 4.0736 8.4912 128.4478 60.1493 30.3323 176.0865 14 P 4.2312 0.0000 0.0000 66.1009 30.7610 178.2728 15 H 4.1661 7.9699 114.6283 58.6805 28.5419 177.9943 16 I 3.5330 7.2573 121.3399 64.2748 36.9272 178.0731 17 Q 3.6946 7.2650 120.3033 58.7575 28.7709 177.9637 18 E 4.0102 7.6762 120.7285 59.3897 29.6594 178.1153 19 Y 4.0433 8.3052 120.0416 60.6534 38.7518 177.8846 20 Q 3.7390 8.0360 120.6589 58.8930 29.1418 177.7030 21 D 4.2499 8.0168 119.9845 57.3955 41.0810 178.5676 22 L 3.9166 7.9472 120.4235 58.0417 41.9932 178.8686 23 A 3.9536 7.4786 120.4568 54.6202 18.1362 179.6987 24 L 3.9807 7.7001 117.8386 57.9666 41.5147 179.6146 25 K 3.7903 7.5925 116.6848 59.4767 32.1056 177.3546 26 H 4.5936 7.7421 112.7133 55.4958 28.5420 175.3313 27 G 3.7410 8.4097 107.0564 46.2672 0.0000 174.3380 28 I 4.3478 7.9770 120.6678 58.8874 38.7133 175.4095 29 N 4.2740 8.9498 123.0491 55.6964 38.7515 175.3462 30 D 4.8634 7.7407 121.0846 51.9925 42.7999 176.2293 31 I 3.7872 8.2541 121.3112 63.2581 37.7364 177.4611 32 F 5.2368 7.8606 117.9865 57.6313 40.5078 175.6028 33 Q 4.1500 8.3377 120.6794 56.9860 27.5454 177.4518 34 D 4.6054 9.1011 127.4638 54.7968 41.0311 176.4221 35 N 4.4209 8.1839 110.6763 54.2848 37.1630 177.3733 36 G 3.7986 7.7114 108.0529 48.1353 0.0000 176.2957 37 G 3.9165 8.1114 106.4758 46.5214 0.0000 175.1543 38 K 4.3403 8.3907 120.8083 58.7268 32.9766 178.3426 39 L 4.0157 7.9618 119.9752 58.4317 41.7424 178.7140 40 L 3.9059 7.8752 119.7281 57.9251 41.8591 178.8261 41 Q 3.9535 8.1608 118.1372 59.1019 28.7552 179.1761 42 V 3.3967 7.7587 118.4894 65.8861 31.6171 177.5720 43 L 3.8598 7.7157 118.2664 57.9225 41.2926 179.4451 44 L 3.8517 8.0770 117.9317 58.0708 41.7196 179.6489 45 I 3.7148 8.3620 119.4466 63.4075 36.8276 177.3167 46 T 4.4173 8.1304 112.0594 60.6891 67.3868 174.8946 47 G 4.0830 7.9135 106.4357 46.7891 0.0000 173.8980 48 L 4.4800 7.0727 119.5023 54.1298 43.5979 176.2851 49 T 4.6687 8.1738 115.1601 61.9403 72.2132 174.4422 50 V 4.0811 8.5421 119.9450 61.2963 32.4946 175.4948 51 L 4.4744 8.1180 124.9401 54.0220 42.8822 173.2751 52 P 4.2337 0.0000 0.0000 62.8479 30.3510 179.4839 53 G 3.7436 8.9623 107.3090 46.2428 0.0000 171.4965 54 R 4.0007 8.9435 121.5461 56.7731 29.1807 178.5249 55 E 4.7743 9.1482 112.1076 54.7921 31.8854 173.0776 56 G 3.6619 8.3410 109.3424 45.7681 0.0000 173.5764 57 N 4.7232 9.1207 115.2487 52.5576 42.4787 170.6429 58 D 4.2374 8.9320 125.6523 56.2348 41.0941 178.3431 59 A 5.1948 8.9983 130.5328 51.9736 22.4160 178.3333 60 V 5.0678 8.2942 109.6901 60.8040 36.9138 175.2536 61 D 4.9600 9.1029 124.4085 52.2328 41.7700 176.6513 62 N 4.3418 8.7604 115.1718 56.6554 38.5647 176.6388 63 A 4.0235 7.9724 119.5649 53.6895 18.5774 178.1881 64 G 3.9450 7.9393 103.5974 44.8481 0.0000 173.7194 65 Q 3.8742 8.4967 122.7030 56.1788 29.2967 175.1636 66 E 4.7897 8.2976 124.7490 56.1164 30.9613 175.3281 67 Y 5.0016 9.3625 119.3203 56.4460 42.6205 174.2706 68 E 4.6161 8.6819 120.8626 54.7218 32.1727 175.1906 69 L 4.7890 9.0074 124.8147 53.5628 44.8475 175.4738 70 K 4.7757 8.6670 126.2114 54.8188 34.8801 175.7122 71 S 5.6967 8.8533 118.2347 57.2436 66.9100 173.1411 72 I 4.6426 9.1947 121.4538 59.7145 42.1019 173.3382 73 N 5.4828 8.6534 126.3001 51.8668 39.7799 174.7813 74 I 3.8801 8.7834 128.3439 63.5279 37.8655 176.7874 75 D 4.5488 8.6912 121.2263 56.7209 41.1998 177.1144 76 L 4.3789 8.0850 117.3626 56.1521 42.7545 176.3788 77 T 4.5646 7.5519 109.4872 60.2220 69.9922 172.9901 78 K 4.5604 8.3326 121.0342 55.6146 34.2742 175.1113 79 G 4.4958 8.1830 104.5026 45.1828 0.0000 172.4408 80 F 4.9730 9.0435 120.5312 56.1143 40.8851 176.1108 81 S 4.6379 8.8844 118.5122 59.2042 63.2494 173.7575 82 T 4.4387 9.2626 110.1551 62.0528 70.7603 174.1149 83 H 4.6470 7.7606 122.7760 55.4025 32.5042 174.4493 84 H 4.3184 8.4462 125.0734 58.5252 28.8688 174.0373 85 H 5.1760 8.1384 116.1353 53.8369 28.7097 171.2098 86 M 4.4679 8.9038 121.5140 53.9397 34.3617 174.2145 87 N 4.8182 8.0710 123.4004 49.9088 41.2191 172.7450 88 P 4.0903 0.0000 0.0000 65.0592 31.1113 178.4147 89 V 3.4076 8.6743 118.9677 65.9734 31.8208 177.4705 90 I 3.3900 7.5638 118.9174 64.4875 36.5309 178.0846 91 I 3.8819 7.5506 119.9796 64.6895 36.7408 178.3791 92 A 3.9864 7.4263 120.2754 54.4864 18.0400 179.3002 93 K 4.0014 8.1791 118.7206 59.7303 32.2453 178.6731 94 Y 4.7462 7.7788 115.0993 60.3022 37.8026 177.1539 95 R 4.2952 7.1436 115.1242 56.4565 30.6380 177.0116 96 Q 4.6058 7.9103 118.2783 56.1545 31.2165 176.2440 97 V 4.5060 7.6533 109.8297 58.3634 35.1815 173.5073 98 P 4.9324 0.0000 0.0000 62.8973 33.1834 174.7755 99 W 5.2390 9.1863 120.4770 55.2036 32.0176 175.0515 100 I 4.8125 8.8585 125.0271 59.7784 39.0290 174.4915 101 F 4.9680 9.5127 126.7177 55.7133 41.1356 174.5126 102 A 4.9860 9.5673 126.5611 50.2339 21.4565 175.2995 103 I 4.9155 8.5584 123.8740 60.1324 39.2259 174.4021 104 Y 5.1118 9.3554 125.6899 56.3480 40.8513 175.4075 105 R 4.5842 9.1463 123.1862 54.8221 30.8269 176.1825 106 G 4.0965 8.9039 117.1607 45.0838 0.0000 173.1824 107 I 4.1014 8.3025 116.5283 60.4671 38.6166 175.4756 108 A 4.5815 7.6937 125.3889 51.0894 19.9142 176.3153 109 I 4.1777 8.3268 122.3813 60.7306 38.9426 175.0903 110 E 4.7684 8.8354 125.2890 57.3955 32.2831 175.6235 111 A 4.7717 7.7382 118.3785 51.5003 23.2621 175.5289 112 I 5.0421 8.4556 119.7794 60.6498 41.7929 174.3432 113 Y 5.2940 9.2373 124.2297 56.1596 42.2187 174.7650 114 R 5.2880 9.1367 120.3178 55.0398 33.5004 173.5674 115 L 5.0860 9.0353 126.4998 53.2630 43.9581 176.6043 116 E 4.6977 9.3157 123.0936 54.9656 30.5531 175.7648 117 P 4.5134 0.0000 0.0000 66.1564 31.2079 179.0340 118 K 4.2438 8.1408 116.9703 59.8684 32.5892 178.4841 119 D 4.5742 8.4103 118.7388 55.6559 40.9748 177.2051 120 L 4.4783 7.4079 117.0071 53.7162 42.6977 177.3909 121 E 4.0849 7.8629 121.0357 59.6328 28.0020 178.3480 122 F 3.8438 8.1393 119.7343 61.3540 39.1826 176.1802 123 Y 3.1091 7.3838 115.8616 59.3289 37.7171 177.5981 124 Y 4.3861 6.8007 117.3690 61.4130 38.2890 177.7397 125 D 4.4774 8.2500 119.7018 56.9463 40.7893 179.0282 126 K 3.7728 7.0903 119.8895 59.2691 32.3575 179.0067 127 W 4.6325 7.8976 118.8960 59.2940 28.4465 178.0569 128 E 4.2182 8.4002 119.6211 59.0924 29.4593 178.5706 129 R 4.3238 8.1428 117.8533 58.9947 29.9966 179.2548 130 K 4.0355 8.3761 118.7631 59.3134 32.3360 179.0270 131 W 4.7030 8.0130 129.4738 60.1525 30.3621 177.5398 132 Y 4.1331 7.8068 115.1079 60.6752 37.5558 177.6408 133 S 4.1898 7.8498 114.3331 62.0164 63.2053 176.5599 134 D 4.4725 7.9020 118.7352 55.1942 41.4549 176.3801 135 G 3.5270 7.9806 108.3590 46.6350 0.0000 173.6944 136 H 2.5800 7.4420 107.8743 55.7237 27.6422 175.5974 137 K 4.1311 6.5245 118.8323 55.3290 32.8644 176.5076 138 D 5.3769 8.4724 122.7291 54.6447 42.0925 175.4452 139 I 4.3370 8.5024 121.4402 60.0572 39.4455 175.0131 140 N 5.3968 8.8324 125.6559 51.8531 38.1940 173.5651 141 N 4.0162 8.2866 125.0641 53.4874 37.5841 172.2691 142 P 4.2919 0.0000 0.0000 62.3261 32.5111 176.2459 143 K 5.1139 8.2596 119.9214 53.9025 35.2012 175.4773 144 I 3.9544 8.2633 124.5142 59.3626 39.0662 173.4004 145 P 4.8638 0.0000 0.0000 62.2083 32.1540 177.6559 146 V 3.7805 8.6426 123.6807 66.1968 31.2135 178.3440 147 K 3.8355 8.1055 118.8063 59.6453 32.0441 177.8805 148 Y 3.8973 8.0831 119.6578 60.9137 38.7690 178.5897 149 V 3.5013 7.7588 112.6628 64.3044 31.4203 178.2569 150 M 3.0823 7.7545 117.7477 57.2068 31.8087 177.6674 151 E 4.1568 7.4470 117.1359 57.0941 30.1627 176.4815 152 H 4.4622 7.5355 114.5078 56.3902 30.5703 175.0612 153 G 4.1143 7.5323 105.4727 45.5169 0.0000 173.4708 154 T 4.5665 8.6954 117.0885 62.4379 70.0706 174.5290 155 K 4.2754 8.7690 128.1651 56.0118 31.9151 176.2443 156 I 4.1106 8.7416 130.0586 63.2242 38.3269 175.8712 157 Y 4.2431 7.4345 127.3053 57.7893 38.8221 174.0952 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 S 8.33 4.40 0.00 3.83 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 3 H 8.21 4.91 0.00 3.18 3.10 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.24 0.00 2.02 2.16 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.24 0.00 5 D 8.02 4.47 0.00 2.70 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 6 L 8.00 3.97 0.00 1.76 1.68 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.06 4.50 0.00 3.04 2.86 0.00 0.00 6.86 9.07 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 8 K 8.34 4.07 0.00 1.88 1.89 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.60 7.81 9 L 7.78 4.10 0.00 1.80 1.84 1.06 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.70 4.05 0.00 1.86 1.90 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.16 4.13 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 12 L 8.29 4.21 0.00 1.95 1.76 0.98 0.93 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 13 W 8.49 4.07 0.00 3.76 3.21 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 14 P 0.00 4.23 0.00 2.06 2.06 0.00 3.91 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 15 H 7.97 4.17 0.00 3.20 3.32 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.26 3.53 0.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.81 0.59 0.00 0.00 17 Q 7.26 3.69 0.00 1.82 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 18 E 7.68 4.01 0.00 2.11 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 0.00 2.30 2.28 0.00 19 Y 8.31 4.04 0.00 3.04 2.97 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 20 Q 8.04 3.74 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 21 D 8.02 4.25 0.00 2.86 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 22 L 7.95 3.92 0.00 1.76 1.67 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.48 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.70 3.98 0.00 1.81 1.67 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.59 3.79 0.00 1.85 1.72 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.37 7.81 26 H 7.74 4.59 0.00 3.15 3.25 0.00 5.70 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 27 G 8.41 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 28 I 7.98 4.35 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.67 0.84 0.00 0.00 29 N 8.95 4.27 0.00 2.69 2.88 0.00 0.00 6.86 8.06 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 30 D 7.74 4.86 0.00 2.63 2.52 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 31 I 8.25 3.79 1.78 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 0.72 -0.36 0.71 0.00 0.00 32 F 7.86 5.24 0.00 3.35 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.34 4.15 0.00 2.21 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 7.57 0.00 0.00 0.00 0.00 0.00 2.61 2.49 0.00 34 D 9.10 4.61 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.18 4.42 0.00 2.90 2.78 0.00 0.00 6.85 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 36 G 7.71 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 37 G 8.11 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 0.00 0.00 0.00 38 K 8.39 4.34 0.00 1.79 1.47 0.00 1.40 0.00 0.00 0.76 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.72 1.24 7.81 39 L 7.96 4.02 0.00 1.75 1.68 0.93 0.48 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 40 L 7.88 3.91 0.00 1.69 1.55 0.73 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.16 3.95 0.00 2.46 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 42 V 7.76 3.40 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 0.88 0.00 0.00 0.97 0.00 0.00 43 L 7.72 3.86 0.00 1.87 1.62 0.88 0.43 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 44 L 8.08 3.85 0.00 1.59 1.63 0.83 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.36 3.71 1.62 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.38 0.40 0.00 0.00 46 T 8.13 4.42 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 47 G 7.91 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 0.00 0.00 0.00 48 L 7.07 4.48 0.00 1.47 1.59 0.67 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.17 4.67 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 50 V 8.54 4.08 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 0.66 0.00 0.00 0.91 0.00 0.00 51 L 8.12 4.47 0.00 1.66 1.57 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.23 0.00 2.16 1.85 0.00 3.90 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 53 G 8.96 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 54 R 8.94 4.00 0.00 1.76 1.62 0.00 3.33 0.00 0.00 3.13 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 55 E 9.15 4.77 0.00 1.86 1.78 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 2.15 2.32 0.00 56 G 8.34 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 57 N 9.12 4.72 0.00 2.67 2.69 0.00 0.00 6.91 8.47 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 58 D 8.93 4.24 0.00 2.72 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 0.00 0.00 0.00 0.00 59 A 9.00 5.19 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 60 V 8.29 5.07 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 0.78 0.00 0.00 0.96 0.00 0.00 61 D 9.10 4.96 0.00 2.98 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 62 N 8.76 4.34 0.00 2.76 2.94 0.00 0.00 6.75 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 63 A 7.97 4.02 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 64 G 7.94 3.95 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 0.00 0.00 0.00 65 Q 8.50 3.87 0.00 2.06 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.84 0.00 0.00 0.00 0.00 0.00 2.14 1.58 0.00 66 E 8.30 4.79 0.00 1.79 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 2.26 2.29 0.00 67 Y 9.36 5.00 0.00 2.84 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 68 E 8.68 4.62 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.47 0.00 69 L 9.01 4.79 0.00 1.41 1.38 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.67 4.78 0.00 1.31 1.73 0.00 1.20 0.00 0.00 1.13 0.00 0.00 2.83 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.66 1.69 7.81 71 S 8.85 5.70 0.00 3.90 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 72 I 9.19 4.64 1.28 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 0.36 0.70 0.76 0.00 0.00 73 N 8.65 5.48 0.00 2.84 2.71 0.00 0.00 6.67 7.86 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 74 I 8.78 3.88 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.82 0.96 0.00 0.00 75 D 8.69 4.55 0.00 2.90 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 76 L 8.09 4.38 0.00 1.63 1.70 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.55 4.56 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 78 K 8.33 4.56 0.00 1.80 1.65 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.40 7.81 79 G 8.18 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 9.04 4.97 0.00 3.32 3.21 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 81 S 8.88 4.64 0.00 3.83 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.26 4.44 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 83 H 7.76 4.65 0.00 3.41 3.25 0.00 5.68 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 84 H 8.45 4.32 0.00 3.20 3.40 0.00 5.61 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 85 H 8.14 5.18 0.00 3.06 3.26 0.00 5.70 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 86 M 8.90 4.47 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 87 N 8.07 4.82 0.00 2.01 2.97 0.00 0.00 6.01 7.76 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 88 P 0.00 4.09 0.00 1.93 1.78 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.44 0.00 89 V 8.67 3.41 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 0.72 0.00 0.00 0.76 0.00 0.00 90 I 7.56 3.39 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 1.36 0.43 0.14 0.00 0.00 91 I 7.55 3.88 1.83 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.36 1.04 0.00 0.00 92 A 7.43 3.99 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 93 K 8.18 4.00 0.00 1.65 1.71 0.00 1.46 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.43 7.81 94 Y 7.78 4.75 0.00 3.12 3.54 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 95 R 7.14 4.30 0.00 1.81 1.13 0.00 2.93 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 96 Q 7.91 4.61 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.93 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 97 V 7.65 4.51 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 0.74 0.00 0.00 0.95 0.00 0.00 98 P 0.00 4.93 0.00 2.41 2.53 0.00 3.62 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 2.11 2.07 0.00 99 W 9.19 5.24 0.00 3.10 2.42 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 0.00 100 I 8.86 4.81 1.76 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.73 0.84 0.00 0.00 101 F 9.51 4.97 0.00 3.03 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 0.00 102 A 9.57 4.99 1.16 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 0.00 103 I 8.56 4.92 2.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.15 1.02 0.00 0.00 104 Y 9.36 5.11 0.00 2.94 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 0.00 105 R 9.15 4.58 0.00 1.84 1.88 0.00 3.29 0.00 0.00 3.26 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 106 G 8.90 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 0.00 107 I 8.30 4.10 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.73 0.92 0.00 0.00 108 A 7.69 4.58 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 0.00 109 I 8.33 4.18 1.83 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 1.30 0.22 0.91 0.00 0.00 110 E 8.84 4.77 0.00 1.98 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 2.29 2.42 0.00 111 A 7.74 4.77 1.15 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 0.00 0.00 112 I 8.46 5.04 1.87 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.96 0.00 0.00 113 Y 9.24 5.29 0.00 3.05 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 0.00 114 R 9.14 5.29 0.00 1.95 1.86 0.00 3.17 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 115 L 9.04 5.09 0.00 2.00 1.69 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 116 E 9.32 4.70 0.00 2.10 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 2.41 2.50 0.00 117 P 0.00 4.51 0.00 2.26 2.28 0.00 3.70 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 118 K 8.14 4.24 0.00 2.03 2.13 0.00 1.53 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.56 7.81 119 D 8.41 4.57 0.00 2.91 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 0.00 120 L 7.41 4.48 0.00 1.04 0.72 -0.16 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.86 4.08 0.00 2.28 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 2.39 2.61 0.00 122 F 8.14 3.84 0.00 2.92 2.79 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 0.00 123 Y 7.38 3.11 0.00 2.06 1.43 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 0.00 124 Y 6.80 4.39 0.00 3.10 2.96 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 0.00 0.00 0.00 0.00 125 D 8.25 4.48 0.00 2.59 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 0.00 126 K 7.09 3.77 0.00 1.41 1.27 0.00 1.50 0.00 0.00 1.01 0.00 0.00 2.88 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.34 1.28 7.81 127 W 7.90 4.63 0.00 3.66 3.17 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 0.00 128 E 8.40 4.22 0.00 2.35 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 0.00 2.61 2.42 0.00 129 R 8.14 4.32 0.00 2.12 2.06 0.00 3.21 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.07 0.00 130 K 8.38 4.04 0.00 2.18 2.12 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.73 1.76 7.81 131 W 8.01 4.70 0.00 3.51 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 7.81 4.13 0.00 3.39 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 0.00 133 S 7.85 4.19 0.00 4.04 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 0.00 134 D 7.90 4.47 0.00 2.54 2.67 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 0.00 0.00 0.00 0.00 135 G 7.98 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 H 7.44 2.58 0.00 2.92 2.69 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 0.00 137 K 6.52 4.13 0.00 1.47 1.61 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.47 7.81 138 D 8.47 5.38 0.00 2.60 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 0.00 139 I 8.50 4.34 1.79 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.60 0.87 0.00 0.00 140 N 8.83 5.40 0.00 2.76 2.78 0.00 0.00 7.43 7.79 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 0.00 141 N 8.29 4.02 0.00 2.40 2.59 0.00 0.00 7.18 7.62 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 0.00 142 P 0.00 4.29 0.00 0.52 1.36 0.00 3.25 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.74 0.00 143 K 8.26 5.11 0.00 1.63 1.73 0.00 1.80 0.00 0.00 0.88 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.38 7.81 144 I 8.26 3.95 1.94 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.00 0.28 0.00 0.00 145 P 0.00 4.86 0.00 2.22 2.04 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.17 0.00 146 V 8.64 3.78 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 1.06 0.00 0.00 0.78 0.00 0.00 147 K 8.11 3.84 0.00 1.87 1.84 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.49 7.81 148 Y 8.08 3.90 0.00 3.17 3.15 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 0.00 149 V 7.76 3.50 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 0.32 0.00 0.00 0.85 0.00 0.00 150 M 7.75 3.08 0.00 1.77 1.92 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.13 0.00 151 E 7.45 4.16 0.00 1.52 1.63 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 2.12 2.17 0.00 152 H 7.54 4.46 0.00 2.91 3.12 0.00 5.65 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 0.00 153 G 7.53 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 8.70 4.57 4.34 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 1.26 0.00 0.00 155 K 8.77 4.28 0.00 1.84 1.67 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.58 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.14 0.23 7.81 156 I 8.74 4.11 1.86 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 1.13 0.84 0.90 0.00 0.00 157 Y 7.43 4.24 0.00 2.85 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