NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.5709 8.3044 120.3524 55.6520 33.5948 175.4521 1 E 4.4873 8.4356 125.9686 54.3975 30.8176 170.2812 2 Q 4.6995 9.1303 122.9929 55.1085 30.1560 175.4223 3 L 4.5203 8.8438 125.3952 54.3637 43.3475 176.1520 4 T 4.4864 8.7381 114.5931 60.3972 69.1376 175.2086 5 K 3.2111 8.5480 126.1891 59.8883 32.0995 179.7470 6 C 4.3040 8.0487 116.0764 59.9159 38.5706 175.8060 7 E 3.9003 7.9335 119.8062 59.2986 29.0809 179.2939 8 V 3.4614 7.7809 118.4113 65.8876 31.3314 177.5791 9 F 4.0055 8.1544 119.3011 61.4386 39.4438 176.6706 10 Q 4.0962 8.2457 118.8152 59.3710 28.7807 178.3200 11 K 3.9828 8.1965 118.4454 58.9044 32.2254 178.2861 12 L 4.3021 7.8160 117.6625 54.2033 41.7910 177.9808 13 K 3.5703 7.7582 123.2398 59.7765 32.1197 178.4390 14 D 4.3801 7.8158 116.5962 56.5629 41.0268 176.9366 15 L 3.8927 7.7528 118.5057 54.5587 41.9432 176.2551 16 K 3.9645 7.4248 119.8958 58.1399 32.1937 175.7876 17 D 4.5355 9.4832 124.2535 54.8389 39.6006 172.9189 18 Y 4.1194 8.5601 122.7738 58.6948 39.0342 176.3764 19 G 3.6654 8.9512 114.1910 46.2472 0.0000 174.0944 20 G 3.7777 8.4524 106.3171 45.0886 0.0000 173.8549 21 V 3.9525 7.7204 120.8215 60.9250 32.1619 175.9195 22 S 4.8241 8.6758 123.1720 57.7268 65.0194 174.7784 23 L 4.0889 8.5953 124.5245 58.1480 41.8248 177.3737 24 P 4.5996 0.0000 0.0000 66.3772 30.9296 178.0683 25 E 3.8294 7.8446 117.8103 58.9439 29.3643 179.3206 26 W 4.1824 7.9909 118.8054 59.4919 29.0358 178.8624 27 V 3.7151 8.0163 118.5928 65.9958 31.0237 177.2936 28 C 2.4500 7.6698 118.2262 59.2197 41.1799 175.6735 29 T 3.7044 7.7324 117.0593 66.5543 68.0439 176.4584 30 A 3.8317 7.8649 122.5557 55.0174 18.4633 179.4344 31 F 3.3865 8.2901 119.1459 61.6268 39.2547 177.0125 32 H 4.1070 7.9745 113.9805 58.0608 28.5697 177.4644 33 T 4.3135 7.4708 117.4779 65.3379 69.1749 175.7213 34 S 4.4074 7.6825 110.9743 56.8428 64.6710 174.8600 35 G 3.2335 8.1809 107.9137 46.6529 0.0000 174.3063 36 Y 3.8669 7.8316 114.7086 57.8058 35.0762 168.0138 37 D 5.0385 7.9178 121.3079 53.7881 40.7876 176.6797 38 T 4.2045 8.5993 117.2765 62.9070 69.8143 175.6245 39 Q 4.8394 8.4255 120.1833 55.5621 30.1873 175.5988 40 A 4.1933 7.8462 122.5875 52.3367 19.6505 177.4642 41 I 4.7889 8.1887 121.4557 59.5530 40.9970 174.8324 42 V 4.3590 8.5269 127.0112 61.1019 34.0965 174.1190 43 Q 5.0798 8.7204 126.2795 54.4009 30.9785 174.4436 44 N 5.1263 9.2252 119.6913 51.0480 42.1946 175.2487 45 N 4.3421 8.8508 115.8675 55.9513 38.5114 175.9176 46 D 4.9160 7.8810 113.8380 52.8310 40.5799 175.0500 47 S 4.7964 7.4836 113.8101 57.9977 66.4523 173.0103 48 T 5.0291 8.8346 116.2774 61.8639 72.3239 173.0113 49 E 5.3470 9.3263 125.3757 54.8849 32.5602 174.5005 50 Y 5.1115 9.1044 121.2898 57.4023 41.4566 177.5836 51 G 4.2302 9.0673 112.7873 44.5148 0.0000 173.2166 52 L 4.1238 8.5471 118.6950 57.2197 41.7018 178.4705 53 F 4.7539 8.0230 113.1185 56.6209 39.7442 175.4873 54 Q 3.4789 8.1449 119.6617 56.9891 26.6958 174.5284 55 I 4.3355 8.0200 119.2654 61.0389 38.7125 177.4294 56 N 5.8091 9.6175 125.0486 51.6231 39.1845 174.6924 57 N 5.5694 8.8593 117.0891 52.8709 37.9398 175.3713 58 K 4.3290 8.3715 122.9199 58.2621 33.8899 177.7058 59 I 3.9880 7.7330 118.0746 61.6670 40.2200 178.0103 60 W 4.4574 8.1967 120.9915 58.1367 30.1985 174.5004 61 C 5.7621 8.2488 111.2690 53.5113 44.7958 172.6681 62 K 5.0616 8.9543 120.5339 54.8085 34.5167 174.6517 63 D 4.8914 8.3315 124.9496 52.1794 42.2813 174.5447 64 D 4.4854 8.9114 117.1457 57.6811 41.0420 177.8423 65 Q 4.1233 8.2627 119.1669 58.6723 29.3279 175.6360 66 N 4.9292 8.3835 116.5549 51.3290 39.3198 172.4766 67 P 4.4105 0.0000 0.0000 64.2095 31.9371 176.6469 68 H 4.7471 8.0389 117.0461 55.8315 29.6346 175.0032 69 S 4.3267 7.5085 112.2696 58.0689 62.6439 174.4568 70 R 3.7810 8.0523 125.4732 57.4630 30.3160 175.9517 71 N 4.3091 8.3008 115.8922 53.8951 37.9899 175.7581 72 I 3.6988 7.7667 119.0951 64.7080 37.4410 177.0880 73 C 4.5223 8.5852 114.6231 56.7990 40.8642 172.8519 74 N 4.1140 8.3429 118.0464 53.3704 37.1374 172.1946 75 I 4.2588 8.3200 118.8258 59.9668 42.1990 172.9092 76 S 5.3414 7.9739 118.3259 56.8769 64.0851 175.9160 77 C 3.7266 8.5963 121.7926 59.9276 34.0654 175.7991 78 D 4.0995 7.6449 119.4805 55.5143 38.7559 178.0277 79 K 4.1110 7.5950 119.1488 58.0070 31.9792 177.2694 80 F 5.3211 7.6645 117.6089 56.6320 38.9159 176.7141 81 L 5.0498 8.1064 118.2794 53.6688 42.4632 175.9903 82 D 4.8954 7.7246 118.7133 51.7201 41.7096 175.7431 83 D 4.3556 8.4869 117.7654 57.0322 40.9423 176.3409 84 D 4.5228 7.5367 117.4609 53.6128 39.9200 176.1133 85 L 4.6078 8.2077 126.2497 54.7970 41.7418 178.4903 86 T 3.8421 8.1428 118.3741 66.9743 68.4879 176.0463 87 D 4.4885 8.1080 120.1562 56.3628 39.7579 178.0307 88 D 4.2129 8.2822 120.0605 57.2601 40.8863 178.6040 89 I 3.3921 7.9332 120.4621 64.1294 36.8361 178.5608 90 V 3.4187 7.4890 118.6478 66.1295 31.2997 177.2889 91 C 4.1182 8.1819 117.9859 59.3572 43.2868 175.3576 92 A 3.5923 7.7964 122.7250 54.8178 17.7374 179.7452 93 K 3.6864 7.6427 117.0963 59.3315 31.8548 179.7669 94 K 4.0682 7.3688 118.5036 59.3879 31.9226 179.4544 95 I 2.7012 7.1556 120.0599 63.7649 36.7900 178.1975 96 L 4.0710 7.9460 120.9915 58.5004 41.8436 178.5889 97 D 4.4796 8.1165 117.2783 57.2524 40.8209 178.6195 98 K 4.3197 8.3020 117.7706 58.2952 32.7435 178.4443 99 V 4.3223 8.7192 116.3708 61.6416 33.6179 175.8103 100 G 3.9360 7.9075 104.5991 44.5528 0.0000 173.6900 101 I 4.2052 8.1426 116.5864 63.4787 37.8426 176.8650 102 N 4.4268 8.1002 116.2938 55.3630 38.1856 176.0344 103 Y 3.8175 7.4613 120.7685 59.9549 38.7638 177.3915 104 W 4.5536 7.8511 117.6728 58.9398 30.4301 178.1228 105 L 4.1607 8.5815 117.8837 54.5039 41.9200 176.4616 106 A 4.0133 8.5783 121.2253 53.7429 16.3531 176.6844 107 H 4.1587 9.0483 112.2294 56.5392 27.4791 175.4817 108 K 4.5748 7.7230 117.5907 54.7128 34.0913 177.2350 109 A 4.4143 8.2725 127.0348 51.1008 17.1530 176.6198 110 L 4.3832 7.7825 120.4192 55.2513 43.4389 178.0146 111 C 5.2476 7.9621 114.7052 56.2758 40.5400 173.8894 112 S 4.4353 8.0260 112.4442 58.0928 65.3149 174.5956 113 E 4.6715 8.1194 118.7395 55.3290 31.7737 175.3920 114 K 3.9947 8.6576 119.5352 57.4524 29.9386 177.4892 115 L 4.4893 8.0450 119.5068 57.4937 41.7797 178.1006 116 D 4.5677 8.1183 118.8056 55.5685 39.2530 178.0672 117 Q 3.8480 7.8501 118.7266 58.2107 28.6095 177.3350 118 W 4.6883 7.4231 118.3774 55.9847 29.7461 176.4169 119 L 4.0856 6.9333 119.0668 54.3552 42.0142 176.2000 120 C 4.2589 6.9546 119.3710 56.6153 44.6823 173.6353 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 M 8.30 4.57 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.56 0.00 1 E 8.44 4.49 0.00 2.13 1.77 0.00 0.00 0.00 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 2 Q 9.13 4.70 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 3 L 8.84 4.52 0.00 1.58 1.54 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.74 4.49 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 1.23 0.00 0.00 5 K 8.55 3.21 0.00 1.95 1.79 0.00 1.96 0.00 0.00 1.91 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.71 7.81 6 C 8.05 4.30 0.00 2.97 3.10 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 7 E 7.93 3.90 0.00 2.11 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 2.39 2.34 0.00 8 V 7.78 3.46 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 1.01 0.00 0.00 0.50 0.00 0.00 9 F 8.15 4.01 0.00 3.16 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 10 Q 8.25 4.10 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 11 K 8.20 3.98 0.00 1.68 1.82 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.71 7.81 12 L 7.82 4.30 0.00 1.57 1.47 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.76 3.57 0.00 1.98 1.75 0.00 1.36 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.39 1.39 7.81 14 D 7.82 4.38 0.00 2.57 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 15 L 7.75 3.89 0.00 0.99 0.13 -0.34 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.42 3.96 0.00 1.83 1.78 0.00 1.93 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.48 7.81 17 D 9.48 4.54 0.00 2.97 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 18 Y 8.56 4.12 0.00 3.11 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 19 G 8.95 3.67 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 0.00 0.00 0.00 20 G 8.45 3.78 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 0.00 0.00 0.00 21 V 7.72 3.95 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 -0.09 0.00 0.00 0.70 0.00 0.00 22 S 8.68 4.82 0.00 4.18 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 23 L 8.60 4.09 0.00 1.75 1.74 0.71 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.60 0.00 2.59 2.64 0.00 3.79 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 25 E 7.84 3.83 0.00 1.93 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 2.40 2.32 0.00 26 W 7.99 4.18 0.00 3.56 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 27 V 8.02 3.72 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 1.31 0.00 0.00 1.21 0.00 0.00 28 C 7.67 2.45 0.00 1.23 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.73 3.70 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 0.92 0.00 0.00 30 A 7.86 3.83 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 31 F 8.29 3.39 0.00 2.93 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 32 H 7.97 4.11 0.00 3.14 3.33 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.47 4.31 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 1.49 0.00 0.00 34 S 7.68 4.41 0.00 4.01 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.18 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 0.00 0.00 0.00 36 Y 7.83 3.87 0.00 3.25 3.10 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 37 D 7.92 5.04 0.00 2.72 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 38 T 8.60 4.20 4.27 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 1.20 0.00 0.00 39 Q 8.43 4.84 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.86 0.00 0.00 0.00 0.00 0.00 2.53 2.31 0.00 40 A 7.85 4.19 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 41 I 8.19 4.79 1.80 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 1.04 0.89 0.64 0.00 0.00 42 V 8.53 4.36 2.20 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 0.80 0.00 0.00 0.95 0.00 0.00 43 Q 8.72 5.08 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.52 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 44 N 9.23 5.13 0.00 2.75 2.71 0.00 0.00 6.96 7.18 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 45 N 8.85 4.34 0.00 2.71 2.89 0.00 0.00 6.64 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 46 D 7.88 4.92 0.00 2.76 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 47 S 7.48 4.80 0.00 4.02 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 48 T 8.83 5.03 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 0.71 0.00 0.00 49 E 9.33 5.35 0.00 2.02 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 2.33 2.34 0.00 50 Y 9.10 5.11 0.00 3.17 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 51 G 9.07 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 0.00 0.00 0.00 0.00 52 L 8.55 4.12 0.00 1.41 1.28 0.86 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.02 4.75 0.00 3.10 3.32 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 54 Q 8.14 3.48 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.85 0.00 0.00 0.00 0.00 0.00 2.53 2.65 0.00 55 I 8.02 4.34 1.82 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.59 1.00 0.00 0.00 56 N 9.62 5.81 0.00 3.04 3.20 0.00 0.00 6.55 6.78 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 57 N 8.86 5.57 0.00 2.96 3.21 0.00 0.00 6.24 7.13 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 58 K 8.37 4.33 0.00 1.92 1.86 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.45 7.81 59 I 7.73 3.99 1.12 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 -0.18 0.00 0.00 60 W 8.20 4.46 0.00 3.65 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 8.25 5.76 0.00 3.09 3.47 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 62 K 8.95 5.06 0.00 1.79 1.63 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.51 7.81 63 D 8.33 4.89 0.00 2.68 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 64 D 8.91 4.49 0.00 2.73 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 65 Q 8.26 4.12 0.00 2.07 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.14 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 66 N 8.38 4.93 0.00 2.85 2.81 0.00 0.00 7.20 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 67 P 0.00 4.41 0.00 2.10 2.10 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 68 H 8.04 4.75 0.00 3.10 3.47 0.00 5.78 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.51 4.33 0.00 4.06 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 70 R 8.05 3.78 0.00 1.58 1.82 0.00 3.28 0.00 0.00 2.90 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.42 0.00 71 N 8.30 4.31 0.00 2.93 2.75 0.00 0.00 7.03 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 72 I 7.77 3.70 1.63 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.40 1.03 0.00 0.00 73 C 8.59 4.52 0.00 3.44 3.35 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 74 N 8.34 4.11 0.00 2.72 2.80 0.00 0.00 6.86 7.89 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 75 I 8.32 4.26 1.83 0.00 0.00 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 1.01 1.05 0.81 0.00 0.00 76 S 7.97 5.34 0.00 3.96 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.60 3.73 0.00 2.02 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 D 7.64 4.10 0.00 2.84 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 79 K 7.60 4.11 0.00 1.55 1.46 0.00 1.41 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.41 7.81 80 F 7.66 5.32 0.00 3.29 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 81 L 8.11 5.05 0.00 1.87 1.77 1.15 1.05 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 82 D 7.72 4.90 0.00 2.77 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 83 D 8.49 4.36 0.00 2.68 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 84 D 7.54 4.52 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 85 L 8.21 4.61 0.00 1.73 1.71 0.87 0.94 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 86 T 8.14 3.84 4.27 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 1.19 0.00 0.00 87 D 8.11 4.49 0.00 3.09 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 88 D 8.28 4.21 0.00 3.05 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.93 3.39 1.96 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.96 0.58 0.00 0.00 90 V 7.49 3.42 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 0.97 0.00 0.00 0.92 0.00 0.00 91 C 8.18 4.12 0.00 3.14 2.91 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 92 A 7.80 3.59 0.33 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 7.64 3.69 0.00 1.64 1.31 0.00 1.20 0.00 0.00 0.66 0.00 0.00 2.29 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.95 7.81 94 K 7.37 4.07 0.00 2.06 2.05 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.63 7.81 95 I 7.16 2.70 1.28 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.66 0.00 0.00 96 L 7.95 4.07 0.00 2.25 2.15 1.05 1.55 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 97 D 8.12 4.48 0.00 3.03 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 98 K 8.30 4.32 0.00 2.06 2.03 0.00 2.13 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.89 7.81 99 V 8.72 4.32 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 0.94 0.00 0.00 1.21 0.00 0.00 100 G 7.91 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 8.14 4.21 1.85 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.91 0.00 0.00 102 N 8.10 4.43 0.00 2.70 2.66 0.00 0.00 6.78 7.48 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 0.00 103 Y 7.46 3.82 0.00 2.51 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 0.00 0.00 0.00 104 W 7.85 4.55 0.00 3.69 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.58 4.16 0.00 1.69 1.88 0.88 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.58 4.01 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 0.00 107 H 9.05 4.16 0.00 3.28 3.41 0.00 5.62 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 0.00 108 K 7.72 4.57 0.00 1.92 1.69 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.36 7.81 109 A 8.27 4.41 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 0.00 110 L 7.78 4.38 0.00 1.55 1.55 0.78 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.96 5.25 0.00 2.81 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 0.00 112 S 8.03 4.44 0.00 3.94 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 0.00 113 E 8.12 4.67 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 114 K 8.66 3.99 0.00 1.91 1.80 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.37 7.81 115 L 8.04 4.49 0.00 1.79 1.91 0.98 1.17 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 0.00 116 D 8.12 4.57 0.00 2.85 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 0.00 117 Q 7.85 3.85 0.00 1.75 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.92 0.00 0.00 0.00 0.00 0.00 1.58 1.16 0.00 118 W 7.42 4.69 0.00 3.48 3.38 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 0.00 119 L 6.93 4.09 0.00 1.65 1.38 0.94 1.04 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 0.00 120 C 6.95 4.26 0.00 2.55 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 0.00 0.00 0.00