NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4437 8.3049 118.1928 54.9059 32.6262 175.3727 2 D 4.3327 7.8705 117.7395 54.7816 41.8981 175.1955 3 I 4.0046 8.2916 122.6299 61.0901 38.9487 174.9614 4 Q 4.5289 9.0555 127.5577 55.1866 30.5154 173.9642 5 M 5.3241 8.6689 125.7260 53.8747 34.9999 174.9121 6 T 4.7111 9.2545 112.6801 60.1903 72.7231 173.0069 7 Q 5.0864 8.6688 122.6309 53.9732 30.2960 175.9029 8 T 3.6812 8.7908 115.0299 64.1067 68.8968 174.6541 9 T 4.3942 7.2122 118.8808 61.9851 68.2521 174.4602 10 S 4.6098 8.5547 123.0673 60.7065 64.5076 174.4023 11 S 5.1772 7.9037 114.0560 56.6340 67.0448 173.5434 12 L 4.7434 9.1812 124.7836 53.7030 45.4869 174.8756 13 S 5.3729 8.7933 121.3483 57.1039 65.4792 172.9264 14 A 4.6855 8.8604 123.9128 51.3097 23.3971 174.9429 15 S 4.7959 8.5914 113.6429 56.2855 65.4664 174.4709 16 L 4.2909 8.2407 122.7860 56.6460 41.4612 177.7929 17 G 3.9589 9.4134 112.0297 44.9146 0.0000 173.2082 18 D 4.5787 7.8011 119.6003 53.9578 42.6938 175.0119 19 R 4.9723 8.2924 119.1681 54.8480 32.4886 174.6808 20 V 4.6088 8.5782 118.2085 59.8380 36.2883 174.5588 21 T 4.8969 8.1647 117.1132 62.0964 72.1519 173.5204 22 I 4.5472 8.7627 127.6530 59.5497 39.3670 175.1824 23 S 5.2781 8.7612 121.7046 57.6924 65.0588 174.0524 24 C 5.3042 9.4526 121.0102 55.2502 44.4747 172.5857 25 R 5.3788 9.5042 125.5000 54.6087 33.1448 173.7220 26 A 5.3202 8.9391 127.5952 50.3084 21.0034 177.1307 27 S 4.4187 8.7249 114.4326 60.2139 63.7768 174.1396 28 Q 4.6057 7.8060 117.7316 53.6253 32.7283 173.8730 29 D 4.6069 8.7503 119.7320 54.8261 41.7174 175.9189 30 I 4.4253 8.6026 118.4143 59.7668 38.0169 175.8040 31 R 3.6378 9.3646 118.1504 57.9256 28.2496 176.9118 32 N 4.5690 8.2210 111.3205 54.0425 37.7158 174.6324 33 Y 4.5455 7.4504 118.6577 56.6216 36.4815 173.3013 34 L 4.8007 7.3897 122.0983 52.9850 45.8342 174.9053 35 N 5.4518 8.8387 122.9529 51.1491 42.6141 173.3008 36 W 5.3115 8.9062 121.0800 55.2437 32.5349 174.3733 37 Y 5.3046 9.5809 121.0803 56.2338 42.0398 174.0781 38 Q 4.8022 9.2902 123.2185 54.3243 31.9733 173.8001 39 Q 5.1335 9.0292 128.0992 54.2875 31.5250 175.4842 40 K 4.6130 9.0329 126.5111 54.8828 33.1891 176.2003 41 P 4.2389 0.0000 0.0000 65.6870 31.1975 177.4949 42 D 4.4567 7.9844 115.1598 53.9300 39.7860 177.0601 43 G 3.9984 8.2952 109.4628 45.0288 0.0000 173.9743 44 T 4.1154 8.4525 111.6610 61.5939 69.9962 173.6958 45 V 4.9846 8.3482 124.2192 61.1454 34.1278 174.6588 46 K 4.8259 8.9506 125.5029 54.3857 36.4696 175.3146 47 L 4.3123 8.7237 125.6974 55.5158 42.6071 175.2973 48 L 4.5395 9.0117 125.2074 55.9363 43.7693 176.2552 49 I 5.3746 7.5546 118.4152 59.6792 41.7613 173.5141 50 Y 5.1116 8.5061 122.8169 55.2595 41.7494 174.0920 51 Y 3.8041 9.3843 118.3358 58.2125 37.9061 171.0315 52 T 3.9237 8.8610 124.0409 64.5479 68.2416 174.5275 53 S 4.6885 7.5129 110.2878 57.6008 65.6665 173.9621 54 R 4.0739 7.7624 121.7447 55.6119 30.6882 175.9750 55 L 4.6090 8.4363 124.7345 54.7718 42.6373 176.5328 56 H 4.7744 9.2186 123.7300 55.6126 31.3530 174.8103 57 S 4.2827 8.4280 119.6275 60.6180 63.0026 175.2970 58 G 3.9407 8.9658 112.8228 45.1685 0.0000 173.3288 59 V 4.0270 7.4876 120.3254 60.9909 32.4584 174.0823 60 P 4.5684 0.0000 0.0000 62.3952 31.8632 177.4236 61 S 4.3105 8.6575 114.7336 60.6762 63.0955 175.5571 62 K 3.9781 8.0095 120.5893 59.2055 33.3815 176.5325 63 F 5.0584 7.9185 120.4119 56.3301 39.9534 175.6616 64 S 4.7548 9.0731 117.4107 56.7046 66.6574 173.1468 65 G 4.7732 8.8385 107.3384 43.7272 0.0000 171.3305 66 S 4.7160 9.2412 115.2146 56.8875 67.2074 172.2740 67 G 4.1694 7.9411 105.1308 43.4886 0.0000 172.5836 68 S 4.3039 8.0186 112.7863 57.9658 67.4670 179.0137 69 G 3.8838 8.5148 116.3699 47.1648 0.0000 176.0428 70 T 4.6379 8.8405 117.5124 61.1804 70.2570 173.1370 71 D 5.4390 7.8096 123.6860 52.9436 43.2422 175.0011 72 Y 5.3729 9.1735 120.4587 56.6330 43.0836 174.3298 73 S 5.3029 9.3534 114.1319 57.3249 67.1588 172.6327 74 L 4.5694 8.3796 124.1527 53.3752 44.2639 174.9319 75 T 4.8703 8.6867 123.1552 61.7172 71.4504 173.1407 76 I 4.4998 8.4251 127.2413 59.6385 39.6601 175.5629 77 S 4.5458 8.4153 123.6320 56.4222 65.1162 174.1325 78 N 4.1858 8.1393 115.9386 53.1899 36.9051 173.5695 79 L 4.1426 8.1996 121.3000 55.3792 42.9406 177.1124 80 E 5.0128 9.0895 121.1566 54.0865 33.7383 176.8601 81 Q 4.0123 8.7242 118.7097 59.4503 28.7733 179.2928 82 E 4.1703 8.1615 115.2910 58.6267 29.5495 177.1768 83 D 4.8047 8.0907 117.6060 54.5500 41.3397 176.5119 84 I 3.8660 7.6955 120.8365 62.1390 37.1327 174.8981 85 A 4.2994 7.9164 125.0017 52.1563 23.8113 174.1258 86 T 4.7735 8.1226 115.0875 62.2642 70.8864 173.8323 87 Y 5.2012 8.8556 124.1475 56.3386 40.5530 174.7905 88 F 5.7484 9.6892 122.3237 55.9340 43.0410 171.9076 89 C 4.9061 9.0121 116.5275 53.9327 45.0348 172.3963 90 Q 4.8798 8.4058 120.5700 54.6789 32.6540 173.2208 91 Q 4.6150 8.8441 124.7519 54.5513 30.9497 176.0552 92 G 3.6120 8.8428 109.6162 46.1751 0.0000 173.9446 93 N 4.6004 8.9626 120.9208 55.2376 39.5067 175.4705 94 T 4.7748 8.0420 112.0437 61.3617 72.2870 173.7178 95 L 3.4522 8.0051 125.5240 53.5353 42.3356 175.2063 96 P 4.0730 0.0000 0.0000 61.5431 32.3007 176.3050 97 W 4.7510 7.8280 120.7225 57.5443 29.7625 175.5323 98 T 4.8963 8.1832 110.3995 60.0992 71.9133 172.6907 99 F 5.3533 8.9904 120.3904 55.8763 42.4444 174.8272 100 A 4.8859 8.0526 123.4199 50.0092 20.4131 177.7476 101 G 3.7539 8.8730 106.0516 46.3215 0.0000 175.2188 102 G 3.5593 8.6287 104.0837 45.7394 0.0000 173.0393 103 T 4.7069 8.3746 116.0955 61.3201 72.0378 173.1480 104 K 4.5869 9.0922 129.5039 55.6535 33.6885 174.9956 105 L 5.1630 9.3194 130.4061 53.6097 44.0919 174.6107 106 E 4.8797 9.3802 126.2959 54.5903 32.4482 176.5666 107 I 4.7414 8.0750 122.4415 60.4820 38.1617 175.2793 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 M 8.30 4.44 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 2 D 7.87 4.33 0.00 2.77 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 3 I 8.29 4.00 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.49 0.94 0.00 0.00 4 Q 9.06 4.53 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 5 M 8.67 5.32 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.44 0.00 6 T 9.25 4.71 4.30 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 1.26 0.00 0.00 7 Q 8.67 5.09 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.89 0.00 0.00 0.00 0.00 0.00 2.73 2.42 0.00 8 T 8.79 3.68 4.28 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 1.25 0.00 0.00 9 T 7.21 4.39 4.28 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 1.26 0.00 0.00 10 S 8.55 4.61 0.00 3.92 4.14 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 0.00 0.00 0.00 11 S 7.90 5.18 0.00 3.72 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 9.18 4.74 0.00 1.69 1.46 0.92 0.76 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 13 S 8.79 5.37 0.00 3.77 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 14 A 8.86 4.69 1.18 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 0.00 0.00 15 S 8.59 4.80 0.00 4.16 3.73 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 16 L 8.24 4.29 0.00 1.62 1.60 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.41 3.96 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 0.00 0.00 0.00 18 D 7.80 4.58 0.00 2.72 2.58 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 0.00 19 R 8.29 4.97 0.00 1.68 1.69 0.00 3.11 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.59 0.00 20 V 8.58 4.61 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 0.64 0.00 0.00 0.78 0.00 0.00 21 T 8.16 4.90 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 1.15 0.00 0.00 22 I 8.76 4.55 1.57 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.64 1.09 0.00 0.00 23 S 8.76 5.28 0.00 3.96 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 24 C 9.45 5.30 0.00 3.16 3.18 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 25 R 9.50 5.38 0.00 1.95 1.76 0.00 3.18 0.00 0.00 3.47 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 26 A 8.94 5.32 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 27 S 8.72 4.42 0.00 3.94 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.81 4.61 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 29 D 8.75 4.61 0.00 2.66 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 30 I 8.60 4.43 1.90 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.57 1.02 0.00 0.00 31 R 9.36 3.64 0.00 2.18 2.11 0.00 3.39 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 32 N 8.22 4.57 0.00 2.39 1.91 0.00 0.00 6.93 7.52 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 33 Y 7.45 4.55 0.00 3.07 2.84 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 34 L 7.39 4.80 0.00 0.74 0.85 0.34 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.84 5.45 0.00 2.61 2.47 0.00 0.00 6.38 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 36 W 8.91 5.31 0.00 3.16 3.07 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 0.00 0.00 0.00 37 Y 9.58 5.30 0.00 3.13 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 38 Q 9.29 4.80 0.00 2.13 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.04 1.76 0.00 39 Q 9.03 5.13 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 40 K 9.03 4.61 0.00 1.93 1.72 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.57 7.81 41 P 0.00 4.24 0.00 2.04 2.14 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 42 D 7.98 4.46 0.00 2.78 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 43 G 8.30 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 0.00 0.00 0.00 44 T 8.45 4.12 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 1.28 0.00 0.00 45 V 8.35 4.98 2.03 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 0.82 0.00 0.00 0.89 0.00 0.00 46 K 8.95 4.83 0.00 1.74 1.67 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.39 7.81 47 L 8.72 4.31 0.00 1.72 1.42 0.61 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 48 L 9.01 4.54 0.00 1.70 1.43 0.91 0.01 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 49 I 7.55 5.37 2.08 0.00 0.00 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 1.44 0.85 1.07 0.00 0.00 50 Y 8.51 5.11 0.00 3.17 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 51 Y 9.38 3.80 0.00 3.06 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 52 T 8.86 3.92 4.05 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 1.43 0.00 0.00 53 S 7.51 4.69 0.00 3.75 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.76 4.07 0.00 0.77 1.36 0.00 2.21 0.00 0.00 2.93 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 55 L 8.44 4.61 0.00 1.57 1.66 0.97 1.32 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 56 H 9.22 4.77 0.00 3.38 3.33 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.43 4.28 0.00 3.74 3.77 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 0.00 0.00 0.00 58 G 8.97 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 59 V 7.49 4.03 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 0.81 0.00 0.00 1.03 0.00 0.00 60 P 0.00 4.57 0.00 2.33 2.25 0.00 3.99 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.18 0.00 61 S 8.66 4.31 0.00 4.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.01 3.98 0.00 1.74 1.94 0.00 0.97 0.00 0.00 1.42 0.00 0.00 2.68 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 0.39 7.81 63 F 7.92 5.06 0.00 2.99 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 9.07 4.75 0.00 3.81 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 0.00 65 G 8.84 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 66 S 9.24 4.72 0.00 3.84 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 67 G 7.94 4.17 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 0.00 0.00 0.00 68 S 8.02 4.30 0.00 3.67 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.51 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 0.00 0.00 0.00 70 T 8.84 4.64 4.52 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 1.30 0.00 0.00 71 D 7.81 5.44 0.00 2.46 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.17 5.37 0.00 2.96 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 73 S 9.35 5.30 0.00 3.91 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 74 L 8.38 4.57 0.00 0.27 0.13 0.63 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.69 4.87 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 1.09 0.00 0.00 76 I 8.43 4.50 1.58 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.39 0.36 0.00 0.00 77 S 8.42 4.55 0.00 3.60 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 78 N 8.14 4.19 0.00 2.79 2.69 0.00 0.00 7.68 6.66 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 79 L 8.20 4.14 0.00 1.81 1.56 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 80 E 9.09 5.01 0.00 2.08 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 2.19 2.39 0.00 81 Q 8.72 4.01 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 82 E 8.16 4.17 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 83 D 8.09 4.80 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 84 I 7.70 3.87 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.58 0.99 0.00 0.00 85 A 7.92 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.12 4.77 4.14 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 0.00 0.00 0.61 0.00 0.00 87 Y 8.86 5.20 0.00 2.95 3.08 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 88 F 9.69 5.75 0.00 3.22 3.13 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 0.00 0.00 0.00 0.00 89 C 9.01 4.91 0.00 1.87 1.18 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 90 Q 8.41 4.88 0.00 1.61 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.89 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 91 Q 8.84 4.61 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 92 G 8.84 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 0.00 0.00 0.00 93 N 8.96 4.60 0.00 3.00 3.06 0.00 0.00 6.80 8.49 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 94 T 8.04 4.77 4.28 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 1.19 0.00 0.00 95 L 8.01 3.45 0.00 1.27 1.13 0.59 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.07 0.00 2.09 1.90 0.00 3.76 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.04 0.00 97 W 7.83 4.75 0.00 3.24 2.82 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 98 T 8.18 4.90 4.29 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 1.37 0.00 0.00 99 F 8.99 5.35 0.00 2.84 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 0.00 100 A 8.05 4.89 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 0.00 0.00 101 G 8.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.63 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.37 4.71 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 104 K 9.09 4.59 0.00 1.84 1.68 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.44 7.81 105 L 9.32 5.16 0.00 1.94 1.92 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 106 E 9.38 4.88 0.00 1.91 1.82 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 2.25 2.27 0.00 107 I 8.08 4.74 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.59 0.91 0.00 0.00