NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2864 8.4449 121.4716 55.8090 30.4763 175.7497 4 E 3.8596 7.9082 119.6643 55.0574 30.6924 176.3231 5 T 4.4015 8.4110 113.7775 59.9732 71.9620 174.8912 6 I 3.7409 8.1552 120.1526 64.2212 37.4923 177.4154 7 F 4.4287 8.1930 119.0850 60.5289 38.6388 177.6181 8 S 4.1856 8.1525 113.6800 61.3791 62.8350 176.7833 9 K 3.9979 8.0272 121.6513 59.0483 31.8411 179.1562 10 I 3.4801 7.8605 120.2224 64.4222 36.7600 178.3415 11 I 3.6509 7.5978 119.3532 64.3457 37.0323 177.8122 12 R 4.2779 7.6746 115.3718 54.9850 30.4357 176.4667 13 R 3.7319 7.5019 116.7741 57.5577 28.1878 176.6216 14 E 4.5261 8.6551 115.7498 56.1171 30.9098 176.6634 15 I 4.6538 7.2136 111.2250 57.7837 40.5850 173.5254 16 P 4.3562 0.0000 0.0000 63.3267 31.7780 175.5496 17 S 4.4583 7.9033 113.2856 58.0136 65.5993 175.0974 18 D 4.6832 8.4587 121.4819 53.1490 41.0290 173.9700 19 I 4.5378 8.1018 125.2931 61.0009 37.4424 176.0800 20 V 4.2742 8.8417 120.3879 61.9663 33.0238 175.5852 21 Y 4.6258 7.7188 119.0869 56.9266 41.9256 172.8208 22 Q 5.2475 7.7423 123.5618 55.1415 33.0046 173.8329 23 D 4.5344 8.9996 121.2412 52.4905 41.9776 175.1113 24 D 4.3609 8.7708 116.8990 55.4193 40.1780 176.4671 25 L 4.5927 8.5088 120.0717 55.7420 43.9400 176.6972 26 V 5.0236 7.9276 117.0586 61.4648 35.5320 174.4172 27 T 5.2844 9.1590 122.3492 61.7348 72.4643 172.6912 28 A 5.2738 9.3509 127.3242 50.2093 22.2794 175.0180 29 F 5.3115 8.2946 115.4976 55.3753 41.7977 174.0008 30 R 4.4432 8.7105 119.8978 56.0044 30.6484 176.3264 31 D 4.4151 8.5621 123.2177 53.8190 41.8076 176.5271 32 I 3.8640 8.5057 126.1254 63.2433 38.4233 175.7262 33 S 4.6773 8.4428 115.2722 54.9852 61.7617 171.0186 34 P 4.4885 0.0000 0.0000 62.5694 31.9766 177.3043 35 Q 4.5224 8.8639 117.3745 55.8162 29.9554 174.7632 36 A 4.6981 7.5441 119.2986 49.8658 22.4542 174.1653 37 P 4.4375 0.0000 0.0000 65.7849 32.0891 177.3218 38 T 4.4958 8.3077 116.9625 62.1578 70.6163 173.7926 39 H 4.8576 8.7411 125.7949 54.7631 32.6623 171.1865 40 I 4.7440 8.7847 126.2281 58.9433 41.2861 173.8772 41 L 4.8293 8.2769 128.3035 53.0411 44.0841 175.4408 42 I 4.9360 8.6896 123.8279 59.4212 40.1843 174.6695 43 I 5.0677 8.6725 120.2769 58.1069 41.1894 173.1829 44 P 4.9029 0.0000 0.0000 62.9730 31.6188 176.3021 45 N 4.5950 9.3107 119.4440 55.5816 39.0190 175.4319 46 I 4.0993 7.6506 118.4599 59.1801 39.1626 174.7623 47 L 3.7686 8.4346 128.5248 55.2199 41.8740 176.3643 48 I 4.4236 7.7779 127.5727 58.7972 39.1573 174.8817 49 P 4.9122 0.0000 0.0000 64.7737 31.7061 176.6714 50 T 4.7448 7.9631 110.4336 59.7828 70.6909 174.7879 51 V 3.7359 8.2998 124.0365 64.4146 31.5982 178.0822 52 N 4.3889 8.2258 117.0700 55.7702 38.4087 175.1408 53 D 4.7189 7.8815 116.2944 54.1463 41.4789 177.2511 54 V 4.0044 7.3120 119.7550 61.6274 32.2129 175.2674 55 S 4.6368 8.3015 114.4144 55.7080 66.4422 174.2770 56 A 4.1591 8.6144 120.8010 55.5363 17.5511 179.2013 57 E 3.9170 8.0605 116.3742 59.5096 29.9007 177.8413 58 H 4.6314 8.0518 114.5081 56.7675 28.9239 177.0300 59 E 3.9740 8.1861 122.0143 59.2728 29.1667 178.8783 60 Q 3.9383 8.0675 118.9834 59.1870 29.2849 178.0326 61 A 4.0265 7.9761 121.3031 55.0150 18.1516 179.4492 62 L 4.0180 8.3441 117.9329 57.9484 41.7538 179.9083 63 G 3.5259 8.5108 106.0723 47.9028 0.0000 175.5566 64 R 3.9012 8.3920 121.4638 59.4505 30.0192 178.4274 65 M 4.0540 8.0042 118.4549 58.3934 31.9248 178.8022 66 I 3.8051 7.3328 119.5181 64.5608 37.5339 178.5916 67 T 3.8744 8.0049 116.6717 66.3565 68.1338 177.0710 68 V 3.1263 8.2486 120.3318 65.7880 31.5541 177.6981 69 A 3.7744 7.8416 120.2808 55.2265 18.0949 179.4509 70 A 3.8141 7.9729 118.9342 55.0577 18.4725 179.6839 71 K 3.7757 7.7025 117.5974 59.8167 32.2244 179.0942 72 I 3.6154 7.8007 119.9038 64.1295 37.0727 178.0305 73 A 3.6570 8.1248 122.0031 55.1097 18.0270 179.2742 74 E 3.8391 8.0193 117.7191 59.5158 29.6042 178.9870 75 Q 4.1369 7.8263 115.4191 58.3910 28.9454 177.1183 76 E 4.2556 8.1902 119.2540 56.2571 29.7051 177.1934 77 G 3.8828 7.7794 107.0714 46.1196 0.0000 174.2484 78 I 4.2079 7.5098 119.4920 60.7566 39.2755 177.4945 79 A 4.2509 8.2870 122.4983 55.8175 18.3825 178.3457 80 E 4.1221 8.3151 114.4687 59.6028 29.9436 177.8351 81 D 4.3388 8.0656 116.9724 57.2246 41.0758 175.0978 82 G 3.6787 7.8234 103.4079 44.4166 0.0000 171.2250 83 Y 4.7919 7.0841 116.0664 56.5447 40.4903 173.2663 84 R 4.7429 9.1055 119.3870 54.4651 33.6286 173.7609 85 L 5.3780 8.5754 124.0000 53.1546 44.6057 175.9456 86 I 4.7557 8.7622 122.8409 59.9450 41.8511 173.9774 87 M 5.2421 8.6995 124.7946 53.6786 34.8919 174.6601 88 N 4.9664 8.8668 120.4317 51.7761 41.0636 174.5353 89 T 4.6272 7.7154 117.3648 62.7989 72.2671 175.0531 90 N 4.6674 9.2801 125.2307 51.9788 38.1119 174.6571 91 R 4.0458 8.5444 113.1521 60.4152 29.6498 178.5990 92 H 4.3118 8.2814 114.6873 58.0948 28.9289 176.7309 93 G 3.6515 7.8455 107.8957 46.3007 0.0000 174.5581 94 G 3.8060 7.7130 107.0107 45.8171 0.0000 173.1945 95 Q 3.9084 8.0141 121.1152 56.0927 29.2125 175.6363 96 E 4.4662 8.7403 124.4439 56.8409 31.0856 176.3829 97 V 4.2103 7.3569 117.6003 61.2396 33.5559 175.7389 98 Y 4.2568 8.3303 128.0202 56.6714 36.9493 175.1317 99 H 5.0813 7.3659 118.0381 54.3757 33.3748 172.5762 100 I 4.0018 8.2227 128.0200 62.0944 37.6910 175.6095 101 A 4.7715 8.3779 126.4056 50.9723 22.4427 174.9290 102 M 4.5612 9.0045 123.3107 54.5598 34.2406 174.4799 103 H 4.9987 9.3218 124.4073 54.7988 30.8140 173.8698 104 L 5.0351 9.1154 126.4085 53.5322 43.6648 174.9151 105 L 5.5738 8.0161 126.5010 52.1414 45.2278 176.6437 106 G 3.9629 8.4991 107.5930 46.3090 0.0000 173.3104 107 G 4.2242 10.2788 107.5515 45.1765 0.0000 173.5210 108 R 4.4879 7.3150 113.0088 54.3185 31.6177 172.7495 109 P 4.2826 0.0000 0.0000 63.4481 31.8203 176.1338 110 L 4.4301 8.4817 121.6177 56.0193 43.3254 177.3450 111 G 3.8590 7.7421 106.0485 44.0115 0.0000 170.9893 112 P 4.5273 0.0000 0.0000 62.1593 32.2105 176.3788 113 M 4.1754 8.7368 119.7541 57.8221 32.0469 177.1143 114 L 4.6893 7.3526 115.4343 52.9886 43.6084 175.8875 115 A 3.8943 8.5685 123.6616 53.2491 18.7890 177.3660 116 H 4.5695 8.6408 118.7652 55.9237 29.0271 175.0208 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 3 E 8.44 4.29 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.41 0.00 4 E 7.91 3.86 0.00 2.10 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 2.36 2.39 0.00 5 T 8.41 4.40 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 1.27 0.00 0.00 6 I 8.16 3.74 1.88 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 1.69 1.34 0.95 0.00 0.00 7 F 8.19 4.43 0.00 2.98 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.15 4.19 0.00 4.10 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 0.00 9 K 8.03 4.00 0.00 1.96 1.88 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.54 7.81 10 I 7.86 3.48 1.60 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 1.24 0.68 -0.15 0.00 0.00 11 I 7.60 3.65 2.03 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 1.53 0.52 0.97 0.00 0.00 12 R 7.67 4.28 0.00 1.87 1.94 0.00 3.31 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 13 R 7.50 3.73 0.00 1.90 1.94 0.00 3.10 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 14 E 8.66 4.53 0.00 1.96 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 2.24 2.38 0.00 15 I 7.21 4.65 1.85 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 1.37 0.59 0.90 0.00 0.00 16 P 0.00 4.36 0.00 2.04 2.01 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 17 S 7.90 4.46 0.00 3.66 3.57 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 18 D 8.46 4.68 0.00 2.84 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 19 I 8.10 4.54 1.87 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 1.36 0.62 1.02 0.00 0.00 20 V 8.84 4.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.00 0.00 0.00 21 Y 7.72 4.63 0.00 2.99 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.74 5.25 0.00 1.82 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.47 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 23 D 9.00 4.53 0.00 2.84 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.77 4.36 0.00 2.83 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 25 L 8.51 4.59 0.00 1.71 1.77 1.03 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.93 5.02 2.12 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 1.14 0.00 0.00 0.96 0.00 0.00 27 T 9.16 5.28 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 28 A 9.35 5.27 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.29 5.31 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.71 4.44 0.00 1.75 1.90 0.00 3.25 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 31 D 8.56 4.42 0.00 2.25 2.29 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 32 I 8.51 3.86 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.97 0.98 0.00 0.00 33 S 8.44 4.68 0.00 3.80 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 34 P 0.00 4.49 0.00 2.25 2.06 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 35 Q 8.86 4.52 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 36 A 7.54 4.70 1.24 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 0.00 0.00 37 P 0.00 4.44 0.00 1.95 2.15 0.00 3.84 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 38 T 8.31 4.50 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 1.22 0.00 0.00 39 H 8.74 4.86 0.00 3.14 3.09 0.00 5.62 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.78 4.74 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.71 0.86 0.00 0.00 41 L 8.28 4.83 0.00 0.27 0.90 0.71 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.69 4.94 1.77 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 1.13 0.55 0.85 0.00 0.00 43 I 8.67 5.07 2.07 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 1.54 0.92 0.68 0.00 0.00 44 P 0.00 4.90 0.00 2.13 2.12 0.00 4.09 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.02 0.00 45 N 9.31 4.59 0.00 2.62 2.96 0.00 0.00 6.86 7.31 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 46 I 7.65 4.10 1.90 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 1.32 0.65 0.91 0.00 0.00 47 L 8.43 3.77 0.00 1.65 1.60 0.91 1.04 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 48 I 7.78 4.42 1.80 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.52 0.93 0.00 0.00 49 P 0.00 4.91 0.00 2.23 2.20 0.00 3.87 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 50 T 7.96 4.74 4.37 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 1.43 0.00 0.00 51 V 8.30 3.74 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 0.80 0.00 0.00 0.94 0.00 0.00 52 N 8.23 4.39 0.00 2.77 2.96 0.00 0.00 6.89 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 53 D 7.88 4.72 0.00 2.81 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 54 V 7.31 4.00 2.12 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 0.81 0.00 0.00 1.02 0.00 0.00 55 S 8.30 4.64 0.00 3.93 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 56 A 8.61 4.16 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 57 E 8.06 3.92 0.00 1.87 1.85 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 2.27 2.45 0.00 58 H 8.05 4.63 0.00 3.36 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.19 3.97 0.00 2.14 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 2.34 2.40 0.00 60 Q 8.07 3.94 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 61 A 7.98 4.03 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 62 L 8.34 4.02 0.00 1.87 1.74 0.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.51 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.39 3.90 0.00 2.00 2.14 0.00 3.42 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 65 M 8.00 4.05 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.58 0.00 66 I 7.33 3.81 2.00 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 1.52 0.89 0.92 0.00 0.00 67 T 8.00 3.87 4.40 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 1.21 0.00 0.00 68 V 8.25 3.13 1.87 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 0.38 0.00 0.00 0.44 0.00 0.00 69 A 7.84 3.77 1.30 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 0.00 0.00 70 A 7.97 3.81 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 71 K 7.70 3.78 0.00 1.77 1.87 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.47 7.81 72 I 7.80 3.62 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.37 0.81 0.00 0.00 73 A 8.12 3.66 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.02 3.84 0.00 2.04 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 2.30 2.31 0.00 75 Q 7.83 4.14 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.61 2.38 0.00 76 E 8.19 4.26 0.00 1.93 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 2.36 2.39 0.00 77 G 7.78 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 78 I 7.51 4.21 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.75 0.84 0.00 0.00 79 A 8.29 4.25 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 80 E 8.32 4.12 0.00 1.96 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 2.30 2.35 0.00 81 D 8.07 4.34 0.00 2.74 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 82 G 7.82 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 83 Y 7.08 4.79 0.00 3.09 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 9.11 4.74 0.00 1.85 1.77 0.00 3.01 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 85 L 8.58 5.38 0.00 1.57 1.57 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 86 I 8.76 4.76 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.76 0.90 0.00 0.00 87 M 8.70 5.24 0.00 1.86 1.94 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 2.50 2.70 0.00 88 N 8.87 4.97 0.00 2.66 2.76 0.00 0.00 6.85 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 89 T 7.72 4.63 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 1.24 0.00 0.00 90 N 9.28 4.67 0.00 2.99 2.93 0.00 0.00 6.62 7.83 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 91 R 8.54 4.05 0.00 2.05 2.25 0.00 2.96 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 92 H 8.28 4.31 0.00 3.13 3.42 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.85 3.65 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 0.00 0.00 0.00 94 G 7.71 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.01 3.91 0.00 2.02 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.99 6.72 0.00 0.00 0.00 0.00 0.00 1.47 2.00 0.00 96 E 8.74 4.47 0.00 1.99 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 2.27 2.51 0.00 97 V 7.36 4.21 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.72 0.00 0.00 98 Y 8.33 4.26 0.00 3.12 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 99 H 7.37 5.08 0.00 3.08 3.13 0.00 5.76 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.22 4.00 2.01 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 1.17 0.72 0.95 0.00 0.00 101 A 8.38 4.77 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 0.00 102 M 9.00 4.56 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 103 H 9.32 5.00 0.00 3.05 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 9.12 5.04 0.00 1.61 1.59 0.60 0.21 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 0.00 105 L 8.02 5.57 0.00 1.59 1.47 0.85 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.50 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 0.00 107 G 10.28 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 0.00 0.00 0.00 0.00 108 R 7.32 4.49 0.00 1.88 1.86 0.00 3.06 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 109 P 0.00 4.28 0.00 2.06 2.05 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 110 L 8.48 4.43 0.00 1.60 1.68 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 111 G 7.74 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 0.00 0.00 0.00 112 P 0.00 4.53 0.00 2.29 2.09 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 113 M 8.74 4.18 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 114 L 7.35 4.69 0.00 1.60 1.53 0.90 0.44 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 0.00 115 A 8.57 3.89 1.23 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 0.00 116 H 8.64 4.57 0.00 3.16 3.19 0.00 5.74 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