NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.3121 8.2649 123.5866 51.9802 19.8380 176.2087 1 M 4.2010 8.3069 119.8163 53.6040 33.2526 175.1750 2 A 4.1538 8.6020 121.2420 52.5313 21.1236 177.5172 3 N 4.2134 8.7973 119.8035 57.0499 39.0157 177.1949 4 I 3.6415 7.8347 119.0599 63.9970 38.0291 177.6069 5 A 4.0951 7.9390 121.1285 55.1148 18.3245 179.5444 6 V 3.4228 7.8380 116.7455 66.3617 31.6258 178.2979 7 Q 3.9282 8.2551 117.8314 58.8364 28.4090 179.0102 8 R 3.9331 8.1052 119.0537 59.4082 30.1135 179.2072 9 I 3.7286 7.9541 119.5943 64.3139 37.0763 178.6054 10 K 3.7497 7.9828 119.4598 59.4502 31.7857 179.3596 11 R 3.9091 8.0062 118.8911 59.5447 30.0096 178.4753 12 E 4.0411 8.5058 118.6751 59.0075 29.3921 179.0649 13 F 3.9602 8.6474 121.3817 61.0629 39.4373 176.9768 14 K 3.9714 8.2075 119.3468 59.5250 31.7525 178.1299 15 E 3.9046 8.1461 118.3651 59.3345 29.9470 178.6507 16 V 3.6794 7.8340 118.0368 66.0767 31.3736 177.7597 17 L 3.9689 7.7326 117.2869 57.7196 41.6344 179.0373 18 K 4.2926 7.9885 115.2716 55.9705 33.0369 177.4999 19 S 4.3684 7.3903 115.2645 57.5873 64.1666 175.0015 20 E 4.1223 8.6735 123.8680 59.0560 29.3276 179.1540 21 E 4.0147 8.0975 118.3078 59.5181 29.5099 178.9623 22 T 4.3069 8.3314 114.8431 64.3367 67.2555 176.5609 23 S 4.1493 7.9926 115.9378 60.7780 62.7340 175.5889 24 K 4.3859 7.7528 119.3940 55.2284 32.1900 176.0844 25 N 4.2875 8.1142 115.8941 54.6173 36.8088 175.3836 26 Q 4.5417 8.6384 118.9557 57.3782 30.8701 176.3488 27 I 5.1899 7.4139 110.2721 59.4365 41.7286 174.2292 28 K 4.7494 8.4014 122.1107 55.4761 36.0189 174.6072 29 V 4.8379 7.9641 124.3133 60.1046 34.2740 174.2008 30 D 5.3559 9.3130 123.0619 52.1411 45.0588 175.3689 31 L 4.3982 8.8602 120.2884 55.4632 42.0938 175.9017 32 V 4.1140 8.3732 118.3151 64.4996 33.4823 176.3270 33 D 4.6180 7.2707 117.9419 52.2563 40.3591 175.8287 34 E 4.0058 8.3959 115.5494 57.4165 30.2123 175.8557 35 N 4.8195 7.4387 117.3518 51.8134 41.2337 174.5753 36 F 4.8676 8.3767 120.3216 58.3472 40.3186 176.0585 37 T 4.2666 8.1709 113.2723 63.1238 70.0272 173.8879 38 E 5.1571 8.9408 123.4901 54.3146 33.1487 174.4962 39 L 5.2630 9.1733 125.2881 52.9734 46.9801 175.1339 40 R 4.8460 9.1391 121.3769 54.7756 32.1797 175.1872 41 G 4.3156 8.7885 113.9249 45.0340 0.0000 171.8173 42 E 5.4099 8.9739 121.4490 54.1898 33.4975 174.1628 43 I 5.1589 8.7209 118.9957 58.8770 41.0732 174.5169 44 A 4.7522 8.8913 127.0292 51.4844 19.1510 177.7592 45 G 4.0076 8.9568 109.5455 45.9194 0.0000 172.1679 46 P 4.6694 0.0000 0.0000 61.4115 31.3936 174.6248 47 P 4.4453 0.0000 0.0000 63.9922 31.9187 175.9100 48 D 4.6725 9.2742 118.2374 55.7374 38.9134 173.6622 49 T 4.7943 7.1787 108.1492 58.9033 71.6390 172.8681 50 P 4.2199 0.0000 0.0000 64.9491 31.4914 177.7152 51 Y 4.7474 7.3666 114.9555 57.9530 38.4209 175.0898 52 E 4.2127 7.8048 121.5718 58.0792 29.9724 176.6921 53 G 4.0775 9.2794 114.3164 45.0886 0.0000 173.6937 54 G 4.0809 8.1574 106.7787 45.7149 0.0000 173.1211 55 R 5.2518 8.4740 120.0582 54.2475 33.6659 174.7127 56 Y 4.6344 9.0772 121.0258 56.2193 40.9679 175.0484 57 Q 4.7168 9.0934 124.4209 55.5135 30.6103 175.1362 58 L 5.0474 8.8322 122.9105 52.7879 45.6550 175.1090 59 E 4.5716 9.1970 125.4905 55.3823 31.1492 174.8629 60 I 4.7491 8.5122 128.0627 59.5185 40.2888 174.5961 61 K 4.9265 9.1002 127.5891 54.5966 34.5892 175.3342 62 I 4.4057 8.4757 127.3926 59.0497 38.2571 174.5105 63 P 4.5266 0.0000 0.0000 62.1072 32.1712 177.2323 64 E 4.0650 8.6973 118.9144 59.1557 29.6176 178.0699 65 T 4.4628 7.8230 107.6052 61.2761 69.4473 173.8153 66 Y 4.1676 7.8027 124.2013 57.9479 39.1845 173.8043 67 P 3.2518 0.0000 0.0000 62.4008 31.4778 176.7986 68 F 4.9732 7.7448 116.6156 58.6784 39.2809 175.3972 69 N 5.0214 7.5577 117.1481 50.3636 42.4158 172.4011 70 P 2.9700 0.0000 0.0000 60.8248 32.1620 174.3647 71 P 4.3466 0.0000 0.0000 62.9871 32.2412 175.5987 72 K 4.3629 8.7910 121.8471 55.6729 33.3985 176.0473 73 V 5.3989 8.2289 123.9608 60.0850 34.7664 174.4465 74 R 4.8974 8.1989 125.4674 54.6282 34.1873 173.6113 75 F 4.4642 9.3331 124.8318 57.6716 39.4135 176.4306 76 I 3.8064 8.6045 125.8673 64.7759 37.5384 177.2590 77 T 4.1533 7.9913 118.1212 63.1214 68.7172 174.9014 78 K 4.1925 8.5623 126.5045 56.6356 32.7194 176.1748 79 I 4.9662 8.2688 121.1117 59.5345 40.8967 174.3702 80 W 4.2746 8.8016 135.0000 55.9368 30.6931 174.0495 81 H 4.9761 7.7511 123.7613 53.8968 32.5471 172.6956 82 P 4.0015 0.0000 0.0000 64.9448 31.4122 177.3499 83 N 5.0602 8.1678 113.6907 52.6044 38.9431 173.7905 84 I 4.8463 7.2572 118.4295 59.0326 40.9042 175.2267 85 S 4.1194 8.9767 120.8113 58.1494 62.4816 175.1157 86 S 4.6113 8.9067 122.8193 60.2955 63.2413 175.2074 87 V 4.1535 7.9370 120.1974 64.7029 32.0737 176.3963 88 T 4.3002 8.1409 107.1373 60.9607 69.9498 175.6610 89 G 4.1983 8.6542 109.7102 46.0248 0.0000 172.9081 90 A 4.3870 7.8509 122.2693 52.2749 19.5243 176.8867 91 I 4.7571 8.3390 121.7859 59.6423 39.8075 174.9337 92 C 4.5025 8.7762 128.2719 58.2437 32.0720 172.7509 93 L 4.4977 8.0782 127.5979 52.5347 44.9537 175.6596 94 D 4.4483 8.9685 126.7233 56.6277 39.0792 178.6936 95 I 3.9172 7.8089 112.7437 63.0120 37.6869 176.9574 96 L 4.5488 7.8352 118.9917 52.7784 42.4136 175.9465 97 K 4.6017 8.8334 118.6852 57.1576 31.5728 177.6268 98 D 4.6757 9.5661 119.1060 55.9092 41.7501 176.7376 99 Q 4.6173 7.8758 116.8696 55.0413 29.2092 175.2629 100 W 4.3066 7.8230 127.4100 57.4296 31.4805 175.2257 101 A 4.4572 6.9074 126.4701 49.6970 21.2985 177.0037 102 A 4.2844 8.6131 122.8311 54.3188 18.6698 179.1413 103 A 3.9767 7.5482 117.4786 54.6552 18.6746 177.7463 104 M 4.1306 6.9678 115.4085 55.3761 32.5189 175.6602 105 T 5.1095 8.4393 110.3516 59.1401 73.5760 174.8468 106 L 4.0127 8.9127 120.6983 58.0808 41.5364 179.8124 107 R 3.8817 8.0531 118.0329 59.9084 29.9751 178.5501 108 T 3.9287 7.9725 109.3653 64.4305 68.7754 176.7143 109 V 3.6430 8.1991 121.5249 65.9136 31.6377 177.8637 110 L 3.9638 8.0287 118.6303 58.0234 41.5424 179.6841 111 L 4.0608 8.1096 118.7743 57.8996 41.4531 179.8263 112 S 4.2026 8.4754 115.5195 61.3945 62.7103 176.7343 113 L 4.0223 8.0844 121.8715 57.7714 41.2705 179.3446 114 Q 4.0046 8.2034 117.8041 59.1369 28.4808 179.0169 115 A 4.0566 7.8423 120.3449 54.9073 18.6633 179.0787 116 L 4.0347 8.1623 119.1214 58.3543 41.9386 179.0900 117 L 3.8519 7.7047 117.6275 57.6429 41.6488 178.7023 118 A 4.5545 7.7211 117.4393 52.5029 20.0267 178.1268 119 A 4.6360 7.6992 119.2301 50.5290 20.3402 175.6870 120 A 4.1547 7.9444 123.8817 51.7304 19.5056 178.3684 121 E 4.4447 8.9236 122.1130 53.6225 29.1214 175.1976 122 P 4.1395 0.0000 0.0000 64.3706 31.8984 178.0401 123 D 4.4715 7.7964 117.7767 55.6762 41.6534 175.7957 124 D 4.8035 7.4459 117.6878 51.7231 40.7966 172.7816 125 P 4.6002 0.0000 0.0000 61.9245 33.3428 176.6185 126 Q 4.0324 8.4818 120.0719 57.3256 29.6907 175.4740 127 D 4.6658 7.5131 117.4558 51.8963 42.9166 175.7849 128 A 3.9055 8.3545 130.1946 55.1185 18.5209 179.0694 129 V 3.5083 7.7054 116.2976 66.0704 31.5985 178.3663 130 V 3.1241 7.4598 117.7659 65.6839 31.2510 177.8768 131 A 3.7637 7.8788 120.5780 55.1324 18.1087 179.2705 132 N 4.2641 8.3734 115.2807 56.5276 38.6182 177.4560 133 Q 4.0228 8.0368 120.4261 59.2637 29.0027 177.2046 134 Y 3.7091 7.9914 119.7560 60.8170 38.7063 178.3341 135 K 4.1613 7.9236 117.6557 59.4623 32.4081 178.9486 136 Q 4.3848 8.2982 116.9513 56.9068 30.4332 176.1101 137 N 5.0122 8.4862 118.3850 50.3794 39.5429 172.6068 138 P 4.2005 0.0000 0.0000 64.8475 31.8121 177.7997 139 E 3.9588 8.0989 117.1928 59.8746 29.5350 179.1564 140 M 4.1600 8.1601 118.1100 57.6853 31.9030 178.6000 141 F 4.9247 8.4341 122.8764 60.7073 39.6042 176.9743 142 K 3.7101 8.2500 119.1672 59.6347 32.0044 178.7687 143 Q 3.9303 7.9414 118.2318 59.1393 28.5034 178.9244 144 T 3.5951 7.7310 116.5023 66.4767 68.4426 176.6865 145 A 3.9355 7.6063 122.7697 55.0032 18.2878 179.9478 146 R 4.0931 7.7700 117.9483 58.7426 30.1950 178.8776 147 L 3.9691 7.9399 120.0482 58.2523 42.0396 179.2083 148 W 4.4642 8.7872 118.7112 59.5369 28.9078 178.4478 149 A 4.3257 8.4188 121.1660 55.4571 17.6374 179.2051 150 H 4.2989 8.1965 117.0541 58.7957 30.0568 177.3860 151 V 3.5181 8.1403 119.1118 65.8754 31.4147 176.7215 152 Y 4.7058 8.1604 113.8254 58.0160 39.3281 176.4716 153 A 4.3676 7.9270 121.1109 51.3418 19.3124 178.3779 154 G 3.8249 8.3349 105.3320 46.6794 0.0000 174.2869 155 A 4.3160 7.7634 127.4843 52.5635 18.3964 177.2067 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 0 A 8.26 4.31 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 1 M 8.31 4.20 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.64 0.00 2 A 8.60 4.15 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 N 8.80 4.21 0.00 2.86 2.86 0.00 0.00 6.63 7.80 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 4 I 7.83 3.64 1.92 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 1.51 1.18 1.02 0.00 0.00 5 A 7.94 4.10 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 6 V 7.84 3.42 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 0.97 0.00 0.00 1.07 0.00 0.00 7 Q 8.26 3.93 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.66 2.53 0.00 8 R 8.11 3.93 0.00 2.18 2.17 0.00 3.28 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 9 I 7.95 3.73 1.73 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 1.67 0.89 0.90 0.00 0.00 10 K 7.98 3.75 0.00 1.70 1.72 0.00 1.47 0.00 0.00 1.40 0.00 0.00 2.59 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.95 1.00 7.81 11 R 8.01 3.91 0.00 1.95 2.23 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 12 E 8.51 4.04 0.00 2.19 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 2.40 2.56 0.00 13 F 8.65 3.96 0.00 3.18 3.05 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 0.00 0.00 0.00 14 K 8.21 3.97 0.00 2.03 2.05 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.50 7.81 15 E 8.15 3.90 0.00 2.01 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 2.33 2.33 0.00 16 V 7.83 3.68 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 0.82 0.00 0.00 0.88 0.00 0.00 17 L 7.73 3.97 0.00 1.87 1.77 1.19 0.86 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 18 K 7.99 4.29 0.00 1.73 1.85 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.61 7.81 19 S 7.39 4.37 0.00 4.19 4.18 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 0.00 0.00 0.00 0.00 20 E 8.67 4.12 0.00 2.10 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 2.38 2.33 0.00 21 E 8.10 4.01 0.00 2.09 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 2.41 2.43 0.00 22 T 8.33 4.31 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 23 S 7.99 4.15 0.00 4.13 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 24 K 7.75 4.39 0.00 1.93 1.89 0.00 1.98 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 25 N 8.11 4.29 0.00 2.86 2.91 0.00 0.00 6.87 8.20 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 26 Q 8.64 4.54 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 27 I 7.41 5.19 1.84 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 1.22 0.91 0.91 0.00 0.00 28 K 8.40 4.75 0.00 1.82 1.59 0.00 1.56 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.32 7.81 29 V 7.96 4.84 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 0.10 0.00 0.00 0.91 0.00 0.00 30 D 9.31 5.36 0.00 2.56 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 31 L 8.86 4.40 0.00 1.54 1.54 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.37 4.11 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 0.83 0.00 0.00 0.90 0.00 0.00 33 D 7.27 4.62 0.00 2.70 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 34 E 8.40 4.01 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 2.16 2.20 0.00 35 N 7.44 4.82 0.00 2.77 2.70 0.00 0.00 6.75 7.45 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 36 F 8.38 4.87 0.00 3.02 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 37 T 8.17 4.27 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 1.21 0.00 0.00 38 E 8.94 5.16 0.00 1.97 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 2.16 2.31 0.00 39 L 9.17 5.26 0.00 1.55 1.55 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 40 R 9.14 4.85 0.00 1.86 1.77 0.00 3.30 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 41 G 8.79 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 42 E 8.97 5.41 0.00 1.98 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 43 I 8.72 5.16 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 1.19 1.34 0.94 0.00 0.00 44 A 8.89 4.75 1.41 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 45 G 8.96 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.67 0.00 2.17 2.08 0.00 3.93 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 47 P 0.00 4.45 0.00 2.26 2.22 0.00 3.88 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 48 D 9.27 4.67 0.00 2.88 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 49 T 7.18 4.79 4.38 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 1.40 0.00 0.00 50 P 0.00 4.22 0.00 1.44 2.00 0.00 3.24 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 1.88 1.99 0.00 51 Y 7.37 4.75 0.00 3.24 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.80 4.21 0.00 2.23 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 2.39 2.35 0.00 53 G 9.28 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 54 G 8.16 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 55 R 8.47 5.25 0.00 1.58 1.79 0.00 3.12 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 56 Y 9.08 4.63 0.00 2.99 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 57 Q 9.09 4.72 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 58 L 8.83 5.05 0.00 1.37 1.29 0.69 -0.56 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 59 E 9.20 4.57 0.00 1.99 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 2.24 2.26 0.00 60 I 8.51 4.75 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.49 0.82 0.00 0.00 61 K 9.10 4.93 0.00 1.58 1.64 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.34 7.81 62 I 8.48 4.41 1.87 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 1.15 0.58 0.55 0.00 0.00 63 P 0.00 4.53 0.00 2.23 2.14 0.00 3.62 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 2.12 2.06 0.00 64 E 8.70 4.06 0.00 2.01 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 2.34 2.31 0.00 65 T 7.82 4.46 4.38 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 1.27 0.00 0.00 66 Y 7.80 4.17 0.00 3.04 2.92 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 67 P 0.00 3.25 0.00 1.75 1.53 0.00 2.70 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.44 0.00 68 F 7.74 4.97 0.00 3.26 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 69 N 7.56 5.02 0.00 2.62 2.55 0.00 0.00 7.01 8.02 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 70 P 0.00 2.97 0.00 1.84 1.62 0.00 3.57 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 71 P 0.00 4.35 0.00 1.96 1.87 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 72 K 8.79 4.36 0.00 1.66 1.73 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.31 7.81 73 V 8.23 5.40 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 0.55 0.00 0.00 0.88 0.00 0.00 74 R 8.20 4.90 0.00 1.88 1.68 0.00 3.42 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 75 F 9.33 4.46 0.00 3.02 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 76 I 8.60 3.81 2.01 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 1.24 0.47 0.93 0.00 0.00 77 T 7.99 4.15 4.58 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 1.24 0.00 0.00 78 K 8.56 4.19 0.00 0.79 1.18 0.00 0.72 0.00 0.00 1.14 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.14 7.81 79 I 8.27 4.97 1.88 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 1.10 0.77 0.38 0.00 0.00 80 W 8.80 4.27 0.00 2.45 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.75 4.98 0.00 2.98 2.79 0.00 5.74 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.00 0.00 1.74 1.67 0.00 2.86 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.51 0.00 83 N 8.17 5.06 0.00 2.74 2.87 0.00 0.00 6.92 7.22 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 84 I 7.26 4.85 1.47 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.28 0.58 0.00 0.00 85 S 8.98 4.12 0.00 3.79 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.91 4.61 0.00 4.28 3.76 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 87 V 7.94 4.15 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 0.91 0.00 0.00 1.03 0.00 0.00 88 T 8.14 4.30 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 89 G 8.65 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 0.00 0.00 0.00 0.00 90 A 7.85 4.39 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 8.34 4.76 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.07 0.96 0.00 0.00 92 C 8.78 4.50 0.00 3.14 2.92 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 93 L 8.08 4.50 0.00 1.72 1.47 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.97 4.45 0.00 2.93 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 95 I 7.81 3.92 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.74 0.94 0.00 0.00 96 L 7.84 4.55 0.00 1.81 1.75 0.95 0.69 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 97 K 8.83 4.60 0.00 1.73 1.28 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.40 7.81 98 D 9.57 4.68 0.00 2.74 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 99 Q 7.88 4.62 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 100 W 7.82 4.31 0.00 3.72 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 0.00 101 A 6.91 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.61 4.28 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 0.00 103 A 7.55 3.98 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 0.00 104 M 6.97 4.13 0.00 1.65 0.57 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 105 T 8.44 5.11 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 1.33 0.00 0.00 106 L 8.91 4.01 0.00 1.74 1.76 0.94 0.72 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 0.00 107 R 8.05 3.88 0.00 1.87 1.94 0.00 3.17 0.00 0.00 3.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 108 T 7.97 3.93 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 1.20 0.00 0.00 109 V 8.20 3.64 2.31 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 1.07 0.00 0.00 1.31 0.00 0.00 110 L 8.03 3.96 0.00 1.88 1.69 0.89 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.11 4.06 0.00 1.70 1.73 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.48 4.20 0.00 4.06 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 0.00 113 L 8.08 4.02 0.00 1.86 1.76 0.83 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.20 4.00 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 115 A 7.84 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.16 4.03 0.00 1.85 1.87 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.70 3.85 0.00 1.81 1.73 0.57 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.72 4.55 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 0.00 119 A 7.70 4.64 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 0.00 120 A 7.94 4.15 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.92 4.44 0.00 1.88 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 2.14 0.00 122 P 0.00 4.14 0.00 2.03 1.62 0.00 3.57 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 123 D 7.80 4.47 0.00 2.64 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 0.00 124 D 7.45 4.80 0.00 2.49 2.47 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 0.00 125 P 0.00 4.60 0.00 2.09 2.01 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.86 0.00 126 Q 8.48 4.03 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.26 0.00 127 D 7.51 4.67 0.00 2.65 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.35 3.91 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 0.00 129 V 7.71 3.51 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 1.17 0.00 0.00 0.96 0.00 0.00 130 V 7.46 3.12 1.68 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 0.39 0.00 0.00 -0.47 0.00 0.00 131 A 7.88 3.76 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 N 8.37 4.26 0.00 2.93 2.90 0.00 0.00 6.67 8.51 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 0.00 133 Q 8.04 4.02 0.00 2.34 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 134 Y 7.99 3.71 0.00 2.54 2.87 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 0.00 135 K 7.92 4.16 0.00 1.81 1.86 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.65 7.81 136 Q 8.30 4.38 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.16 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 137 N 8.49 5.01 0.00 2.65 2.68 0.00 0.00 7.09 7.32 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 0.00 138 P 0.00 4.20 0.00 2.09 1.80 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 139 E 8.10 3.96 0.00 1.97 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 2.39 2.34 0.00 140 M 8.16 4.16 0.00 2.00 2.15 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 2.62 2.79 0.00 141 F 8.43 4.92 0.00 3.29 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 0.00 142 K 8.25 3.71 0.00 2.00 1.96 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.46 7.81 143 Q 7.94 3.93 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 144 T 7.73 3.60 3.86 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 -0.31 0.00 0.00 145 A 7.61 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 R 7.77 4.09 0.00 2.04 1.97 0.00 3.10 0.00 0.00 3.16 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 147 L 7.94 3.97 0.00 1.83 1.90 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 148 W 8.79 4.46 0.00 3.62 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.42 4.33 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 0.00 0.00 0.00 0.00 0.00 150 H 8.20 4.30 0.00 3.16 3.50 0.00 5.81 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.14 3.52 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 0.70 0.00 0.00 152 Y 8.16 4.71 0.00 3.21 2.92 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 0.00 153 A 7.93 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 G 8.33 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 0.00 0.00 0.00 155 A 7.76 4.32 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00