NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.7855 8.0544 120.2871 61.5995 32.6392 174.0790 2 H 4.5329 8.2900 121.7019 53.8303 31.0738 172.4558 3 W 4.8515 8.2190 126.8587 55.0462 31.8687 176.2359 4 S 4.5485 9.2733 118.1028 57.2665 64.6261 175.6105 5 A 4.0267 8.3675 123.8026 55.3304 18.1993 179.6278 6 E 4.0740 8.1235 114.8103 58.5298 29.8916 178.6187 7 E 4.0836 7.7893 121.0488 59.2183 29.8170 178.4897 8 K 3.7620 7.7428 118.4602 59.3054 31.9848 179.2951 9 Q 3.9560 7.7345 117.5437 59.0352 27.5178 178.4950 10 L 4.0638 7.5250 118.3691 58.1216 41.7193 180.0061 11 I 3.7592 7.5123 118.8050 64.7823 36.9474 178.7278 12 T 4.1131 8.2810 117.1042 66.6367 68.1129 177.2003 13 G 3.7174 8.5211 106.8295 47.0787 0.0000 174.6746 14 L 4.2175 7.5773 122.1538 56.9188 42.7753 177.9020 15 W 4.8520 8.7383 128.5297 61.0795 30.3188 177.9893 16 G 3.8160 7.9809 104.4422 46.8710 0.0000 174.0689 17 K 4.4606 7.7797 117.3439 55.8645 33.0335 176.2889 18 V 3.6075 7.3768 120.2841 62.1279 32.0859 175.6927 19 N 4.4445 8.2869 125.4954 52.8146 39.0442 175.8260 20 V 3.5807 8.0562 122.7605 64.1100 31.5294 178.4086 21 A 3.9651 7.9157 120.3042 55.3854 18.1902 178.8619 22 E 3.9209 8.4282 117.2676 59.5719 29.5087 179.1401 23 C 3.9896 8.2472 116.3241 62.8586 28.2561 176.3671 24 G 3.9281 8.2574 107.3577 48.2644 0.0000 175.5267 25 A 4.0674 7.6617 121.9045 54.2964 18.2450 179.6916 26 E 3.8084 7.8916 117.1022 59.5147 29.7063 178.9424 27 A 3.9608 8.3120 121.1489 55.5115 18.4395 179.4910 28 L 3.9761 7.7654 118.1124 57.8941 42.1814 178.9189 29 A 3.9527 7.9005 120.6148 55.1570 18.2897 179.8567 30 R 3.8155 8.2236 116.8752 59.0552 30.0385 178.8491 31 L 4.0091 7.8056 119.9770 58.4581 41.9014 179.1960 32 L 3.9561 7.8270 118.5945 57.6323 41.2531 179.5399 33 I 3.8002 7.4742 118.8832 63.9888 37.3988 178.1622 34 V 3.5555 8.0719 118.3131 64.0661 32.7279 175.6984 35 Y 4.2751 7.3610 116.8028 54.3345 37.6827 174.2146 36 P 4.5923 0.0000 0.0000 64.2519 31.0848 178.3485 37 W 4.4447 8.1879 116.7343 59.4416 27.7296 178.0085 38 T 4.1226 7.6954 111.0682 64.4126 67.9406 176.1301 39 Q 4.2506 7.9917 121.4187 59.1912 28.5313 178.9869 40 R 3.9825 7.7720 115.0809 59.2556 29.4107 178.6836 41 F 3.9136 8.0288 116.5898 58.8756 39.4338 175.4862 42 F 4.5200 8.1537 118.1493 57.0134 39.4899 177.7033 43 T 4.0318 7.7869 119.2174 66.3113 68.9460 177.3487 44 S 4.2066 8.1368 114.7216 60.9194 62.3283 174.4457 45 F 4.8577 8.1373 117.2118 57.1569 38.9249 177.6490 46 G 3.9082 7.8426 110.3481 45.1423 0.0000 172.6619 47 N 4.4939 8.8602 118.4134 54.0115 40.2347 175.1039 48 L 4.7254 8.3378 125.2854 56.6175 41.6953 178.0390 49 S 4.6242 9.5109 120.6765 59.2318 63.1825 170.1301 50 S 4.6371 7.5444 114.2175 55.3375 66.8472 174.2486 51 A 3.9546 8.6504 127.7673 55.6711 18.2409 180.2655 52 S 4.0939 8.0914 111.8405 61.1455 63.0228 176.0676 53 A 3.9289 7.6144 123.3070 55.1553 18.0544 179.1878 54 V 3.7012 7.8409 116.4762 66.3878 31.2978 178.2488 55 L 4.1782 7.7679 117.2319 57.2870 41.4848 178.7929 56 G 4.1172 7.6571 102.9776 43.6123 0.0000 173.1082 57 N 4.6637 7.3900 119.5776 51.5832 40.0348 174.0109 58 P 4.2442 0.0000 0.0000 66.0046 31.3008 178.2260 59 N 3.9866 7.8436 115.9399 55.8940 38.2583 177.2907 60 V 3.4944 7.4197 119.2153 65.8634 31.6544 178.3272 61 R 3.8427 7.8345 117.0700 59.1759 29.7952 178.7828 62 A 3.9227 7.6270 119.0022 55.3299 18.7283 178.8021 63 H 4.4118 8.8906 117.3081 59.4366 30.1355 177.2620 64 G 3.9157 8.1833 107.6831 48.1621 0.0000 175.3552 65 K 4.0034 8.0140 122.0893 58.7530 32.2220 178.8792 66 K 3.9446 8.1420 120.0770 59.3712 32.0839 178.6061 67 V 3.6859 7.9048 118.1481 66.3376 31.2990 177.7954 68 L 4.4113 8.0211 117.7541 58.5073 41.4639 179.4016 69 T 4.1571 8.0996 115.6623 67.1370 68.3997 176.0724 70 S 4.1050 8.1549 114.3355 61.6544 62.3627 176.0421 71 F 4.1696 8.1910 120.6117 60.8574 38.7568 177.6784 72 G 3.8438 8.3470 106.3343 47.4304 0.0000 175.1669 73 E 3.8750 8.2182 120.6865 58.8707 29.3332 179.9510 74 A 3.9509 7.7277 120.4782 55.1827 18.3350 179.5228 75 V 3.0870 6.9044 115.1788 65.9965 31.3492 177.9892 76 K 4.0157 7.6133 117.5213 59.4992 32.6718 177.9078 77 N 4.4076 8.6378 114.5713 54.9802 38.5219 178.9415 78 L 3.1618 7.2140 119.3869 57.4098 42.1588 177.1874 79 D 4.5815 8.4700 117.2632 56.4791 41.2687 176.6542 80 N 4.9492 7.7731 117.8534 52.9747 38.5035 175.3911 81 I 4.0327 7.7626 121.4951 64.2141 37.9759 177.4088 82 K 4.3648 7.8972 118.9711 56.8926 32.6357 177.8361 83 N 4.4079 8.6939 116.0903 55.3363 37.6178 176.3173 84 T 4.2078 9.5841 112.5834 64.1993 69.4289 176.0030 85 F 4.5695 7.4996 117.3055 56.8446 39.4003 177.1434 86 A 3.9708 7.8873 122.2399 55.5652 18.0418 180.0159 87 Q 4.0550 7.9518 115.5821 59.2245 28.9290 178.7760 88 L 4.0216 7.9691 119.4511 57.8219 41.5587 179.4333 89 S 4.0037 8.6176 113.3144 61.5297 62.3608 175.7491 90 E 3.9893 7.9677 121.1046 59.5764 29.3446 179.4728 91 L 3.8882 7.6608 119.8874 58.5756 42.3948 178.7546 92 H 4.2575 8.2240 116.1317 59.5471 28.2608 177.1196 93 C 4.2922 8.4676 120.6432 61.6718 27.7247 175.7298 94 D 4.2691 8.2683 121.5832 57.2300 41.0000 178.1752 95 K 4.1379 7.9094 118.2075 58.7105 32.7710 177.4983 96 L 4.1732 7.6840 116.7785 55.9759 42.2848 176.8271 97 H 4.2075 7.6565 112.5877 56.7562 25.9338 175.9042 98 V 3.7499 7.8974 118.7061 61.9497 32.1883 174.9980 99 D 4.1734 8.6692 127.8185 53.3845 41.7180 174.8543 100 P 3.2295 0.0000 0.0000 65.7120 31.4836 177.8340 101 E 3.8132 7.6728 118.5476 59.2307 29.2352 178.5874 102 N 4.4005 7.8933 116.2096 55.8939 38.6170 177.3552 103 F 4.5304 7.8844 120.0412 60.3177 38.9047 177.6052 104 R 3.9457 8.0194 117.9576 59.5376 30.1213 178.0600 105 L 3.8997 7.7060 118.5082 58.1455 41.6693 179.5547 106 L 4.2268 8.4376 120.1222 57.7817 42.0449 179.3098 107 G 3.6762 8.0942 105.4943 47.9015 0.0000 175.1985 108 D 4.4697 8.2659 122.1959 57.2723 40.9823 179.0554 109 I 3.7626 7.7896 119.8381 64.4358 36.9825 178.1870 110 L 3.8828 7.8525 120.9134 58.2670 41.8395 179.0809 111 I 3.7070 7.7550 119.5148 64.4108 36.9319 178.4875 112 I 3.6693 7.6318 120.3634 64.6035 36.9352 177.9681 113 V 3.4808 7.7306 118.6494 66.6237 31.2723 177.8666 114 L 3.7408 8.1343 118.0194 57.5190 41.2762 179.5745 115 A 3.7292 7.8366 121.0518 55.1393 18.1640 179.9487 116 G 3.4968 7.9383 102.8753 48.3211 0.0000 175.3218 117 H 4.0973 7.9994 117.5655 57.5238 29.1053 176.8481 118 F 4.7441 8.1365 117.5695 54.2539 39.9096 178.6479 119 G 3.9918 8.3247 108.4349 46.7779 0.0000 177.1696 120 K 4.2938 9.1881 124.4871 58.1337 32.4880 177.2329 121 D 4.5583 7.9101 116.9935 55.5074 41.4748 176.8873 122 F 4.6364 7.5979 122.9982 56.7196 37.9307 175.4068 123 T 4.0791 7.3944 115.0532 60.9516 71.0231 173.3824 124 P 4.1422 0.0000 0.0000 65.8805 31.4513 178.3859 125 D 4.3625 8.1555 117.1831 57.8723 40.6417 178.7157 126 C 4.1188 7.5475 117.9215 62.4817 31.6895 175.3766 127 Q 3.3946 7.8979 120.8329 58.5320 28.5069 177.9810 128 A 4.0516 7.8757 122.0730 54.7698 18.4299 179.4954 129 A 4.0137 8.0158 119.3007 55.2395 18.4488 179.8330 130 W 4.0083 8.5060 117.7349 59.9873 29.0841 178.8159 131 Q 4.1143 8.2798 117.6923 58.9388 28.3444 178.4904 132 K 3.8248 8.1015 120.6388 59.5124 32.0784 178.5663 133 L 4.2621 8.2210 120.4645 58.3561 42.1551 179.0719 134 V 3.8773 8.2291 118.4214 66.0568 31.3562 177.9637 135 R 3.9909 8.4349 118.5292 59.1133 29.7015 178.3015 136 A 3.9637 7.6923 119.6041 54.9830 18.7127 179.6088 137 V 3.1845 7.9993 116.5323 65.8790 31.5662 177.9020 138 A 3.8790 7.7643 120.4541 55.6850 17.7447 178.9615 139 H 4.0659 8.4766 116.3618 59.3668 29.6849 176.7388 140 A 4.2027 7.5888 120.1094 53.5144 18.5124 178.5187 141 L 4.1212 7.4471 115.8135 56.0314 42.2515 178.1407 142 A 4.3214 8.0789 120.1392 57.3519 18.5647 182.9043 143 R 2.8121 7.8009 111.3496 57.9758 32.3253 178.1575 144 K 4.3378 8.1135 121.6239 57.1926 31.8753 177.8889 145 Y 4.8271 7.8363 115.3723 55.8808 37.4712 175.9319 146 H 4.6613 7.9924 119.5131 55.8689 29.7592 173.7351 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 V 8.05 3.79 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 0.61 0.00 0.00 -0.01 0.00 0.00 2 H 8.29 4.53 0.00 3.13 3.13 0.00 5.70 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 3 W 8.22 4.85 0.00 3.19 2.94 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 4 S 9.27 4.55 0.00 4.03 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 5 A 8.37 4.03 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 6 E 8.12 4.07 0.00 2.18 2.23 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 2.38 2.32 0.00 7 E 7.79 4.08 0.00 2.25 2.14 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 2.59 2.44 0.00 8 K 7.74 3.76 0.00 1.89 1.72 0.00 1.63 0.00 0.00 1.44 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.66 7.81 9 Q 7.73 3.96 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 10 L 7.53 4.06 0.00 1.92 1.82 0.93 0.84 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 11 I 7.51 3.76 1.48 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.61 0.23 0.00 0.00 12 T 8.28 4.11 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 1.26 0.00 0.00 13 G 8.52 3.72 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 0.00 0.00 0.00 14 L 7.58 4.22 0.00 2.17 2.09 0.20 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.74 4.85 0.00 3.84 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.98 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 17 K 7.78 4.46 0.00 2.08 1.98 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.39 7.81 18 V 7.38 3.61 1.81 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 0.40 0.00 0.00 1.09 0.00 0.00 19 N 8.29 4.44 0.00 2.65 2.55 0.00 0.00 7.23 7.71 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 20 V 8.06 3.58 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 0.62 0.00 0.00 0.89 0.00 0.00 21 A 7.92 3.97 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 22 E 8.43 3.92 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 23 C 8.25 3.99 0.00 2.87 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 24 G 8.26 3.93 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 0.00 25 A 7.66 4.07 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 26 E 7.89 3.81 0.00 2.06 1.96 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 2.30 2.48 0.00 27 A 8.31 3.96 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 28 L 7.77 3.98 0.00 1.73 1.65 0.80 1.69 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 29 A 7.90 3.95 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 30 R 8.22 3.82 0.00 1.92 1.95 0.00 3.12 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 31 L 7.81 4.01 0.00 1.85 1.88 1.00 0.72 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 32 L 7.83 3.96 0.00 1.86 1.69 0.78 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.47 3.80 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.56 0.84 0.00 0.00 34 V 8.07 3.56 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 0.14 0.00 0.00 0.75 0.00 0.00 35 Y 7.36 4.28 0.00 2.35 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 36 P 0.00 4.59 0.00 2.34 2.34 0.00 3.90 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.97 0.00 37 W 8.19 4.44 0.00 3.66 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 38 T 7.70 4.12 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 0.93 0.00 0.00 39 Q 7.99 4.25 0.00 2.44 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 40 R 7.77 3.98 0.00 1.82 2.05 0.00 3.00 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 41 F 8.03 3.91 0.00 2.76 2.64 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 42 F 8.15 4.52 0.00 2.91 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 0.00 0.00 0.00 0.00 43 T 7.79 4.03 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 1.22 0.00 0.00 44 S 8.14 4.21 0.00 3.89 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 45 F 8.14 4.86 0.00 3.17 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 46 G 7.84 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 47 N 8.86 4.49 0.00 2.71 2.78 0.00 0.00 6.68 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 48 L 8.34 4.73 0.00 1.72 1.22 1.11 1.17 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 49 S 9.51 4.62 0.00 4.31 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.54 4.64 0.00 4.00 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 51 A 8.65 3.95 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 52 S 8.09 4.09 0.00 4.05 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 53 A 7.61 3.93 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 54 V 7.84 3.70 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 1.01 0.00 0.00 0.97 0.00 0.00 55 L 7.77 4.18 0.00 1.84 1.69 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.66 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 57 N 7.39 4.66 0.00 3.00 2.68 0.00 0.00 6.97 7.59 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 58 P 0.00 4.24 0.00 2.23 2.25 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 59 N 7.84 3.99 0.00 2.02 1.42 0.00 0.00 6.80 7.68 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 60 V 7.42 3.49 2.17 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 1.07 0.00 0.00 0.99 0.00 0.00 61 R 7.83 3.84 0.00 1.84 1.92 0.00 3.14 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 62 A 7.63 3.92 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 63 H 8.89 4.41 0.00 3.40 3.48 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 64 G 8.18 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 65 K 8.01 4.00 0.00 1.98 2.00 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 66 K 8.14 3.94 0.00 2.12 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.49 7.81 67 V 7.90 3.69 2.32 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 1.27 0.00 0.00 0.98 0.00 0.00 68 L 8.02 4.41 0.00 1.91 1.93 0.98 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.10 4.16 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 1.31 0.00 0.00 70 S 8.15 4.10 0.00 4.10 4.15 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 71 F 8.19 4.17 0.00 3.42 3.11 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 72 G 8.35 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.22 3.87 0.00 1.93 1.83 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 2.30 2.35 0.00 74 A 7.73 3.95 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 75 V 6.90 3.09 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 0.59 0.00 0.00 -0.14 0.00 0.00 76 K 7.61 4.02 0.00 1.74 1.88 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.53 7.81 77 N 8.64 4.41 0.00 3.01 2.80 0.00 0.00 7.23 6.74 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 78 L 7.21 3.16 0.00 1.38 1.47 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.47 4.58 0.00 2.64 2.78 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 0.00 0.00 0.00 80 N 7.77 4.95 0.00 2.65 2.76 0.00 0.00 7.01 7.94 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 81 I 7.76 4.03 1.98 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.92 0.99 0.00 0.00 82 K 7.90 4.36 0.00 1.82 1.82 0.00 1.87 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.59 1.46 7.81 83 N 8.69 4.41 0.00 2.89 2.95 0.00 0.00 6.78 7.54 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 84 T 9.58 4.21 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 0.62 0.00 0.00 85 F 7.50 4.57 0.00 2.97 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.89 3.97 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 87 Q 7.95 4.05 0.00 2.08 2.14 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 2.42 2.41 0.00 88 L 7.97 4.02 0.00 1.92 1.82 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.62 4.00 0.00 3.90 4.02 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 90 E 7.97 3.99 0.00 2.21 1.98 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 2.30 2.56 0.00 91 L 7.66 3.89 0.00 1.68 1.83 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.22 4.26 0.00 3.36 3.65 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.47 4.29 0.00 2.62 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 0.00 0.00 0.00 0.00 94 D 8.27 4.27 0.00 2.86 2.69 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 95 K 7.91 4.14 0.00 1.67 1.95 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.44 7.81 96 L 7.68 4.17 0.00 1.95 1.89 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.66 4.21 0.00 3.42 3.53 0.00 5.85 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.90 3.75 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 0.37 0.00 0.00 0.85 0.00 0.00 99 D 8.67 4.17 0.00 2.65 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 P 0.00 3.23 0.00 2.11 2.29 0.00 3.25 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.38 0.00 101 E 7.67 3.81 0.00 2.14 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 2.25 2.38 0.00 102 N 7.89 4.40 0.00 2.66 2.79 0.00 0.00 6.91 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 0.00 103 F 7.88 4.53 0.00 3.12 2.94 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 0.00 104 R 8.02 3.95 0.00 1.92 2.11 0.00 3.22 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 105 L 7.71 3.90 0.00 1.76 1.40 0.13 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.44 4.23 0.00 1.89 1.85 1.03 1.31 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 G 8.09 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 0.00 108 D 8.27 4.47 0.00 2.79 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 0.00 109 I 7.79 3.76 2.06 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 1.48 1.01 0.98 0.00 0.00 110 L 7.85 3.88 0.00 1.81 1.85 0.74 0.16 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 0.00 111 I 7.76 3.71 2.14 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.75 1.20 0.00 0.00 112 I 7.63 3.67 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.89 0.90 0.00 0.00 113 V 7.73 3.48 2.17 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 0.84 0.00 0.00 0.94 0.00 0.00 114 L 8.13 3.74 0.00 0.94 1.04 0.16 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.84 3.73 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 0.00 116 G 7.94 3.50 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 0.00 117 H 8.00 4.10 0.00 2.90 2.83 0.00 5.63 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.14 4.74 0.00 3.10 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 0.00 119 G 8.32 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 0.00 0.00 0.00 120 K 9.19 4.29 0.00 1.80 1.92 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 121 D 7.91 4.56 0.00 2.97 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 0.00 122 F 7.60 4.64 0.00 2.94 3.03 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 0.00 123 T 7.39 4.08 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 1.22 0.00 0.00 124 P 0.00 4.14 0.00 2.16 2.13 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 125 D 8.16 4.36 0.00 2.73 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 0.00 126 C 7.55 4.12 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 0.00 127 Q 7.90 3.39 0.00 1.64 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 128 A 7.88 4.05 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 0.00 129 A 8.02 4.01 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 0.00 130 W 8.51 4.01 0.00 3.67 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 0.00 131 Q 8.28 4.11 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 132 K 8.10 3.82 0.00 2.02 2.10 0.00 1.04 0.00 0.00 0.61 0.00 0.00 2.66 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.03 1.25 7.81 133 L 8.22 4.26 0.00 1.54 1.51 0.72 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 134 V 8.23 3.88 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 1.09 0.00 0.00 1.13 0.00 0.00 135 R 8.43 3.99 0.00 2.19 1.92 0.00 3.16 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 136 A 7.69 3.96 1.51 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 0.00 0.00 137 V 8.00 3.18 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 -0.12 0.00 0.00 0.89 0.00 0.00 138 A 7.76 3.88 1.51 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 0.00 0.00 139 H 8.48 4.07 0.00 3.30 3.58 0.00 5.78 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 0.00 140 A 7.59 4.20 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 0.00 141 L 7.45 4.12 0.00 1.04 1.15 -0.05 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.08 4.32 1.47 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 0.00 0.00 143 R 7.80 2.81 0.00 1.95 2.11 0.00 3.15 0.00 0.00 3.16 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 144 K 8.11 4.34 0.00 1.57 1.49 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.30 7.81 145 Y 7.84 4.83 0.00 3.14 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 0.00 146 H 7.99 4.66 0.00 3.09 3.13 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00