NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2142 8.4445 119.1078 53.9975 28.6846 174.2956 4 L 3.7278 8.1466 123.6061 53.2581 41.4121 175.2016 5 T 4.1557 8.2271 118.1152 60.9114 70.1813 174.3844 6 E 3.9898 8.5400 120.3648 59.3903 29.5118 178.2943 7 E 3.7822 7.9967 120.2298 59.1522 29.4539 178.2898 8 Q 4.0966 7.5835 116.5431 57.7952 29.3787 176.8768 9 I 4.3470 8.5702 120.9831 63.6983 38.5001 177.3775 10 A 4.1424 8.1638 121.0007 55.8041 17.7579 178.6347 11 E 4.0292 7.8442 116.7055 58.8913 29.6462 178.8471 12 F 4.2046 8.5220 120.0030 60.8212 39.5229 177.0845 13 K 4.4407 8.4625 120.3734 58.8645 32.3934 178.9893 14 E 4.5057 8.4048 121.1599 56.5449 28.5909 177.3571 15 A 4.2995 7.8702 120.7564 53.9893 21.4267 178.3149 16 F 4.2679 8.7188 114.9393 60.9283 38.9201 178.6658 17 S 3.7758 7.2372 112.6405 61.2128 64.2632 175.2761 18 L 4.1247 8.1113 123.2864 56.6845 41.6740 178.7568 19 F 4.9715 7.3321 118.5449 55.4802 37.4938 174.3991 20 D 4.5246 7.7479 120.5058 53.5432 41.9810 174.6922 21 K 4.2982 8.3637 121.6043 56.0405 32.6883 176.2976 22 D 5.0038 7.7675 118.3958 51.6597 41.7176 175.6558 23 G 4.2170 8.2420 106.0818 45.4118 0.0000 174.3457 24 D 4.3849 8.1623 119.7936 57.3946 39.6392 177.0740 25 G 3.8192 6.7882 110.1751 44.6683 0.0000 172.6842 26 T 5.5475 8.4092 109.6945 58.3141 71.4782 172.9174 27 I 4.4537 7.9591 117.3263 59.2305 40.6231 174.6318 28 T 4.4959 7.8815 117.8098 60.4468 69.5221 174.5037 29 T 3.8994 8.9809 119.8885 65.5506 69.2544 177.8088 30 K 4.2782 7.5625 120.2898 59.1950 32.9063 178.2331 31 E 4.2434 7.6773 116.9802 57.7093 29.8391 178.1127 32 L 4.0422 8.4191 122.5707 58.5806 42.1102 178.2572 33 G 3.7223 8.4502 105.0506 47.8658 0.0000 175.5634 34 T 3.9155 7.9206 116.8583 66.0369 68.6584 176.2064 35 V 3.7135 8.1222 120.3128 66.1408 31.4935 177.6958 36 M 4.0654 8.1562 117.9139 58.6949 31.5603 178.4044 37 R 5.0340 7.9253 119.7128 59.5211 29.9398 178.4795 38 S 4.2615 7.9757 113.1571 61.5590 62.9720 176.3609 39 L 4.0779 8.1251 122.5726 56.1215 42.3366 176.1007 40 G 4.0232 7.9906 109.5114 45.5504 0.0000 173.7527 41 Q 4.5696 8.1609 115.7701 54.5577 33.2740 175.2325 42 N 4.9707 8.5160 118.5434 52.9249 39.1733 172.2672 43 P 4.0715 0.0000 0.0000 61.9674 31.1309 175.5130 44 T 3.7944 8.7407 113.0254 62.0477 68.6414 174.4039 45 E 4.0989 8.9229 122.9445 57.8937 29.8448 177.8277 46 A 4.4363 8.1379 121.8484 54.2496 18.9856 179.1944 47 E 4.1035 8.4637 116.6113 58.6235 29.5461 179.1176 48 L 4.3031 7.8618 118.8824 57.4738 41.8900 178.2181 49 Q 4.0454 7.9767 118.7640 58.9542 28.6515 178.3133 50 D 4.4539 7.9631 119.8589 56.7599 39.7094 178.0962 51 M 4.0483 7.5171 117.4747 58.4344 31.8520 178.0574 52 I 3.9628 7.7694 117.6246 62.7257 38.3981 176.4370 53 N 4.6535 8.0292 115.9825 54.6873 39.5219 174.4297 54 E 4.5336 7.9708 118.4917 58.1221 31.1404 177.6125 55 V 3.8387 7.4473 113.4018 62.1996 31.5836 176.2130 56 D 4.5502 7.6838 115.1152 54.6525 43.4544 175.3767 57 A 4.5926 7.5733 122.0337 52.2026 19.0656 178.9505 58 D 4.3448 7.7883 113.8961 56.1552 40.0669 176.3669 59 G 3.9803 7.3192 109.9092 45.3046 0.0000 176.4575 60 N 3.8612 7.0972 117.4902 54.2239 38.8690 176.9499 61 G 4.1106 8.6201 108.1825 44.8952 0.0000 172.2264 62 T 5.4353 7.6483 109.5606 59.0003 72.6237 172.8318 63 I 4.6054 7.9152 120.9135 60.3450 41.0994 174.8580 64 D 5.2356 9.5602 127.6610 53.1949 42.4028 176.7496 65 F 3.6868 9.3489 123.1032 61.2184 39.1047 174.8573 66 P 4.3747 0.0000 0.0000 65.9710 30.9558 178.0286 67 E 4.0349 7.9097 116.3007 58.7743 29.5527 177.9028 68 F 4.4483 8.0157 119.6474 59.6867 40.3596 177.2077 69 L 3.1498 8.0237 120.0426 58.3154 41.7215 179.3988 70 T 3.9255 7.6581 115.3409 65.7951 69.0314 176.4178 71 M 3.7485 7.5636 119.9035 59.1359 32.1046 178.8520 72 M 3.7803 7.7798 118.6730 57.6766 32.1552 180.0946 73 A 4.2898 7.3029 121.8097 52.0266 17.7536 178.0867 74 R 4.3271 9.4280 119.8911 59.2812 32.0457 176.5751 75 K 4.1457 7.2468 112.8415 57.7683 32.9242 177.0165 76 M 4.3732 7.6365 120.7096 54.3799 30.4227 174.3978 77 K 4.4619 6.7719 118.2648 57.9423 37.0496 177.9109 78 D 4.4049 7.9566 117.7576 57.7455 42.0592 178.3634 79 T 3.9966 7.8290 110.1863 62.8007 66.6332 174.7506 80 D 4.7239 8.1059 116.1337 55.1001 40.7405 177.5107 81 S 4.1792 8.6879 114.6561 59.1538 62.6386 175.3335 82 E 3.9000 7.4364 122.4665 59.4815 29.5304 178.2893 83 E 4.1514 8.1665 118.3138 59.1538 30.0109 177.8104 84 E 3.9943 8.2592 118.2261 59.9240 29.5415 179.5724 85 I 3.8715 8.0769 119.4619 64.5175 37.1102 178.1948 86 R 4.4349 8.3687 118.3160 58.2961 29.9499 177.5222 87 E 4.3586 8.1135 116.9143 58.1778 30.3796 177.9111 88 A 4.1798 8.3102 121.2539 55.2425 18.5806 178.9477 89 F 3.0155 8.7260 119.1941 61.7267 39.1685 177.6483 90 R 3.8935 7.8231 115.9456 59.0403 29.8403 179.0777 91 V 3.6900 7.5565 117.5051 66.1346 31.6879 177.7265 92 F 4.1005 8.2632 115.9488 60.0021 40.2159 176.7152 93 D 4.5127 7.5376 118.1946 53.7406 36.6970 177.0654 94 K 3.8782 7.4651 121.0251 58.7117 32.9218 177.8615 95 D 4.7441 8.0349 115.7105 52.5142 40.7606 177.0791 96 G 3.9994 7.9488 106.9569 45.2700 0.0000 173.7059 97 N 4.5878 8.3735 116.0074 52.5686 37.3153 176.2763 98 G 4.0366 8.2568 105.4792 46.5011 0.0000 173.2244 99 Y 5.1654 7.6829 116.0678 56.1151 41.1536 175.0495 100 I 4.5961 9.2954 124.8382 60.1683 39.1829 174.9243 101 S 4.8271 8.8677 121.0112 55.9844 65.5104 174.9483 102 A 4.1077 9.0122 123.6158 56.2686 17.8377 179.0380 103 A 3.9428 8.2979 118.3236 55.9379 17.7343 179.2504 104 E 3.9349 8.0903 113.9694 58.9830 29.7887 178.9986 105 L 4.1763 8.5315 121.6062 58.1853 42.1897 178.8766 106 R 3.8980 8.3079 118.5762 59.7532 29.9657 177.6910 107 H 4.3055 8.5790 115.5789 58.0018 30.0989 175.3885 108 V 4.0737 7.3493 116.9873 64.1680 33.8740 177.1313 109 M 4.1007 8.5700 120.2884 58.4764 31.5514 178.8463 110 T 4.5519 7.9460 111.1244 64.7463 68.8967 176.1935 111 N 4.2178 8.1098 118.4719 55.6451 38.5151 176.0036 112 L 4.4500 7.4912 117.8671 54.8509 42.3797 177.7886 113 G 3.8609 7.9622 105.7353 45.8511 0.0000 173.4637 114 E 4.4762 7.9989 120.8953 53.9601 31.0488 174.9886 115 K 4.6986 8.5519 125.6717 55.0601 32.6600 175.7318 116 L 4.7829 8.2042 123.7589 52.8112 44.5479 176.1835 117 T 4.2093 8.2327 116.7484 61.2401 66.8183 174.9713 118 D 4.4033 8.8693 127.6985 57.3953 40.7691 178.3978 119 E 4.4033 8.2396 118.2054 59.0108 30.0766 178.1591 120 E 4.1567 8.7889 119.1298 59.1946 29.7414 179.3544 121 V 3.7164 7.7445 117.8715 66.0101 31.4923 176.9809 122 D 4.6628 7.4569 115.0581 55.4784 40.6681 177.0088 123 Q 4.4171 8.1507 120.6223 58.3754 30.3523 176.2830 124 M 4.2297 8.2843 120.1682 57.0453 32.0348 178.8246 125 I 3.4563 8.1193 118.1461 64.2154 37.6859 177.6145 126 R 3.8133 8.1168 118.7326 60.2203 29.7772 178.0963 127 E 4.0242 8.1704 117.5953 58.5138 29.7077 177.9569 128 A 4.3830 8.1947 119.9036 52.6050 19.3811 176.8494 129 D 4.6972 7.4556 117.6069 54.1351 41.8066 175.9339 130 I 4.1239 8.9769 128.1212 62.7561 37.9122 176.3521 131 D 4.6499 8.5372 117.1388 52.6609 39.5897 177.4008 132 G 4.0515 8.4122 108.9335 45.7978 0.0000 174.5326 133 D 4.3179 7.9808 118.2266 54.9751 39.2123 176.6812 134 G 3.7813 10.9441 107.8352 45.6269 0.0000 173.2973 135 Q 4.6543 7.6677 111.8328 55.2032 31.0539 174.0099 136 V 4.3704 8.1135 117.0317 61.2164 33.2760 175.5506 137 N 5.1706 9.4895 122.9914 51.4309 40.2209 175.0707 138 Y 2.9792 8.1721 118.3635 60.7140 38.5190 177.5279 139 E 3.7858 7.9980 118.4949 59.7561 29.6210 179.3194 140 E 3.9798 10.5888 117.9367 59.2603 29.4072 179.3900 141 F 4.1772 8.5523 121.1428 61.4273 39.6260 177.3551 142 V 3.3983 8.3638 118.9777 66.0139 31.2089 177.9617 143 Q 3.8341 7.9228 117.6495 58.9565 28.4376 177.8367 144 M 3.8055 7.7614 118.2681 59.5385 32.2483 177.7500 145 M 3.9624 7.7164 117.2251 58.6533 32.4786 177.9289 146 T 4.0260 7.7483 109.7370 63.3774 69.1810 173.7973 147 A 3.8067 7.4303 127.8488 51.3261 18.5407 177.3967 148 K 4.1068 8.5664 122.4874 57.1298 32.3042 176.5804 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 Q 8.44 4.21 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 L 8.15 3.73 0.00 1.74 1.52 0.92 0.61 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 5 T 8.23 4.16 4.24 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 1.22 0.00 0.00 6 E 8.54 3.99 0.00 2.25 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 0.00 2.37 2.38 0.00 7 E 8.00 3.78 0.00 2.04 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 0.00 2.35 2.36 0.00 8 Q 7.58 4.10 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.56 0.00 9 I 8.57 4.35 2.05 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 1.80 0.74 1.10 0.00 0.00 10 A 8.16 4.14 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 11 E 7.84 4.03 0.00 2.10 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 0.00 2.35 2.65 0.00 12 F 8.52 4.20 0.00 3.08 3.43 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 13 K 8.46 4.44 0.00 2.11 1.88 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.15 0.86 7.81 14 E 8.40 4.51 0.00 2.01 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 0.00 2.32 2.25 0.00 15 A 7.87 4.30 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 16 F 8.72 4.27 0.00 3.26 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 17 S 7.24 3.78 0.00 3.97 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 18 L 8.11 4.12 0.00 1.31 1.36 1.00 0.77 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 19 F 7.33 4.97 0.00 2.95 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 20 D 7.75 4.52 0.00 2.84 2.53 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 21 K 8.36 4.30 0.00 1.77 1.81 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.41 7.81 22 D 7.77 5.00 0.00 2.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.24 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 24 D 8.16 4.38 0.00 2.85 2.81 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 25 G 6.79 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 26 T 8.41 5.55 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 1.29 0.00 0.00 27 I 7.96 4.45 1.51 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.31 0.36 0.00 0.00 28 T 7.88 4.50 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 1.21 0.00 0.00 29 T 8.98 3.90 4.24 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 1.22 0.00 0.00 30 K 7.56 4.28 0.00 1.80 1.82 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.47 7.81 31 E 7.68 4.24 0.00 2.38 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 2.18 2.20 0.00 32 L 8.42 4.04 0.00 1.82 1.89 1.19 1.12 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 33 G 8.45 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 34 T 7.92 3.92 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 0.83 0.00 0.00 35 V 8.12 3.71 2.37 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 1.07 0.00 0.00 1.05 0.00 0.00 36 M 8.16 4.07 0.00 2.15 2.21 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 3.03 2.84 0.00 37 R 7.93 5.03 0.00 2.04 2.16 0.00 3.15 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 38 S 7.98 4.26 0.00 4.49 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 39 L 8.13 4.08 0.00 1.67 1.70 0.72 0.26 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 40 G 7.99 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 0.00 0.00 0.00 41 Q 8.16 4.57 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 42 N 8.52 4.97 0.00 2.65 2.76 0.00 0.00 7.03 7.69 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 43 P 0.00 4.07 0.00 2.25 2.11 0.00 4.01 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 2.03 2.06 0.00 44 T 8.74 3.79 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 1.21 0.00 0.00 45 E 8.92 4.10 0.00 1.98 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 0.00 2.32 2.26 0.00 46 A 8.14 4.44 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 47 E 8.46 4.10 0.00 2.14 2.02 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 2.34 2.36 0.00 48 L 7.86 4.30 0.00 1.71 1.74 1.01 0.93 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 49 Q 7.98 4.05 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 50 D 7.96 4.45 0.00 2.95 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 51 M 7.52 4.05 0.00 2.13 2.32 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 2.93 2.56 0.00 52 I 7.77 3.96 1.91 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 1.43 0.65 1.02 0.00 0.00 53 N 8.03 4.65 0.00 2.92 2.83 0.00 0.00 6.90 7.02 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 54 E 7.97 4.53 0.00 2.15 1.88 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 2.20 2.27 0.00 55 V 7.45 3.84 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 0.81 0.00 0.00 0.94 0.00 0.00 56 D 7.68 4.55 0.00 2.72 2.56 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 57 A 7.57 4.59 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 58 D 7.79 4.34 0.00 2.60 2.99 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 59 G 7.32 3.98 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 0.00 60 N 7.10 3.86 0.00 2.85 2.89 0.00 0.00 6.27 7.00 0.00 0.00 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 G 8.62 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 0.00 0.00 0.00 62 T 7.65 5.44 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 1.20 0.00 0.00 63 I 7.92 4.61 2.12 0.00 0.00 1.00 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 1.06 1.18 0.00 0.00 64 D 9.56 5.24 0.00 2.85 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 65 F 9.35 3.69 0.00 3.10 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 66 P 0.00 4.37 0.00 2.25 2.11 0.00 4.00 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 67 E 7.91 4.03 0.00 2.35 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 0.00 2.49 2.43 0.00 68 F 8.02 4.45 0.00 3.03 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 69 L 8.02 3.15 0.00 1.39 1.49 0.97 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.66 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 1.13 0.00 0.00 71 M 7.56 3.75 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 72 M 7.78 3.78 0.00 1.30 1.06 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.22 0.00 73 A 7.30 4.29 1.06 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 0.00 0.00 74 R 9.43 4.33 0.00 1.66 2.06 0.00 3.23 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 75 K 7.25 4.15 0.00 1.82 1.84 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.52 7.81 76 M 7.64 4.37 0.00 1.88 2.07 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 2.57 2.58 0.00 77 K 6.77 4.46 0.00 1.67 1.61 0.00 1.65 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.44 7.81 78 D 7.96 4.40 0.00 2.67 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 79 T 7.83 4.00 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 1.26 0.00 0.00 80 D 8.11 4.72 0.00 3.04 2.56 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 81 S 8.69 4.18 0.00 3.87 3.90 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 82 E 7.44 3.90 0.00 1.82 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 2.43 2.46 0.00 83 E 8.17 4.15 0.00 2.16 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 0.00 2.39 2.48 0.00 84 E 8.26 3.99 0.00 2.29 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 2.45 2.55 0.00 85 I 8.08 3.87 2.26 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 1.43 0.71 1.03 0.00 0.00 86 R 8.37 4.43 0.00 2.01 2.11 0.00 2.98 0.00 0.00 2.91 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.10 0.00 87 E 8.11 4.36 0.00 2.30 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 0.00 2.37 2.66 0.00 88 A 8.31 4.18 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 0.00 0.00 0.00 0.00 0.00 89 F 8.73 3.02 0.00 3.15 3.36 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 90 R 7.82 3.89 0.00 1.81 2.00 0.00 3.23 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.90 0.00 91 V 7.56 3.69 2.49 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 0.67 0.00 0.00 1.02 0.00 0.00 92 F 8.26 4.10 0.00 2.64 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 93 D 7.54 4.51 0.00 2.04 2.35 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 94 K 7.47 3.88 0.00 2.14 1.90 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.67 1.59 7.81 95 D 8.03 4.74 0.00 2.70 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 96 G 7.95 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 97 N 8.37 4.59 0.00 3.10 3.14 0.00 0.00 6.09 7.07 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 98 G 8.26 4.04 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 0.00 0.00 0.00 99 Y 7.68 5.17 0.00 2.83 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 0.00 100 I 9.30 4.60 2.03 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 0.92 0.18 0.95 0.00 0.00 101 S 8.87 4.83 0.00 3.90 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 0.00 102 A 9.01 4.11 1.38 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 0.00 0.00 103 A 8.30 3.94 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 0.00 104 E 8.09 3.93 0.00 2.38 2.26 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 2.51 2.47 0.00 105 L 8.53 4.18 0.00 1.85 1.95 1.20 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.31 3.90 0.00 2.00 2.18 0.00 3.19 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 107 H 8.58 4.31 0.00 3.09 3.45 0.00 5.94 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.35 4.07 1.67 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 0.52 0.00 0.00 0.80 0.00 0.00 109 M 8.57 4.10 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.97 0.00 110 T 7.95 4.55 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 1.26 0.00 0.00 111 N 8.11 4.22 0.00 2.71 2.87 0.00 0.00 6.93 7.85 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 0.00 112 L 7.49 4.45 0.00 1.56 1.66 0.84 1.13 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 0.00 113 G 7.96 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 0.00 114 E 8.00 4.48 0.00 2.08 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 2.24 2.31 0.00 115 K 8.55 4.70 0.00 1.78 1.76 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.39 7.81 116 L 8.20 4.78 0.00 1.62 1.57 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.23 4.21 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 1.22 0.00 0.00 118 D 8.87 4.40 0.00 2.79 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 0.00 119 E 8.24 4.40 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 2.33 2.49 0.00 120 E 8.79 4.16 0.00 2.10 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 2.32 0.00 121 V 7.74 3.72 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 1.19 0.00 0.00 0.97 0.00 0.00 122 D 7.46 4.66 0.00 2.92 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 0.00 123 Q 8.15 4.42 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 124 M 8.28 4.23 0.00 2.14 2.12 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 2.90 2.65 0.00 125 I 8.12 3.46 1.91 0.00 0.00 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 1.58 0.82 0.95 0.00 0.00 126 R 8.12 3.81 0.00 2.05 2.11 0.00 3.19 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 127 E 8.17 4.02 0.00 2.04 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 0.00 2.32 2.33 0.00 128 A 8.19 4.38 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 0.00 129 D 7.46 4.70 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 0.00 130 I 8.98 4.12 1.88 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 1.36 0.71 0.91 0.00 0.00 131 D 8.54 4.65 0.00 2.81 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 0.00 132 G 8.41 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 0.00 0.00 0.00 0.00 133 D 7.98 4.32 0.00 2.67 2.77 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 0.00 134 G 10.94 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 0.00 135 Q 7.67 4.65 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.67 6.88 0.00 0.00 0.00 0.00 0.00 1.98 2.24 0.00 136 V 8.11 4.37 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 0.81 0.00 0.00 1.11 0.00 0.00 137 N 9.49 5.17 0.00 2.72 3.23 0.00 0.00 6.34 7.12 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 0.00 138 Y 8.17 2.98 0.00 1.98 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.00 3.79 0.00 2.19 1.92 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 2.37 2.38 0.00 140 E 10.59 3.98 0.00 2.35 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 2.36 2.48 0.00 141 F 8.55 4.18 0.00 3.31 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 0.00 142 V 8.36 3.40 1.84 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 0.80 0.00 0.00 -0.21 0.00 0.00 143 Q 7.92 3.83 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.43 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 144 M 7.76 3.81 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.64 0.00 145 M 7.72 3.96 0.00 1.83 1.68 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 146 T 7.75 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 1.17 0.00 0.00 147 A 7.43 3.81 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 0.00 148 K 8.57 4.11 0.00 1.71 1.69 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.42 7.81