NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5303 8.1627 120.3616 55.9362 34.3580 177.2929 2 M 4.0572 8.0121 117.5787 57.8276 31.7629 176.3440 3 D 4.3597 8.3153 118.1070 57.3094 41.9339 176.9855 4 Y 4.1528 7.9584 119.5705 60.7991 38.8853 177.5901 5 L 3.7500 8.4888 120.2754 57.9676 41.5065 179.6879 6 I 3.7201 7.3978 118.8556 64.2970 37.2110 177.9143 7 T 4.3556 7.3437 106.7968 62.2388 69.2395 174.9477 8 Q 4.4032 7.0928 120.3526 55.6456 29.5179 174.3950 9 N 4.1571 8.2591 112.9794 55.2314 37.1716 175.2155 10 G 3.8777 8.2874 103.0207 44.9433 0.0000 175.5342 11 G 4.0022 8.0361 109.7810 47.5210 0.0000 174.9941 12 M 4.0172 8.1854 119.7604 58.8080 32.0082 178.4379 13 V 3.5290 7.6285 112.2914 64.5698 31.5619 178.5810 14 F 4.3254 7.9337 116.9952 60.3336 38.7605 177.7073 15 A 4.0916 8.0234 120.2355 54.9214 18.2109 179.7556 16 V 3.5036 8.2057 117.3395 66.1208 31.5933 177.9767 17 L 3.9889 8.1661 119.9465 58.0071 41.7977 178.7373 18 A 4.2523 8.2837 122.4314 54.9285 18.3846 179.4942 19 M 3.9917 8.1174 116.8207 58.5214 32.0765 178.8229 20 A 4.0281 8.1853 121.1260 55.2650 18.4101 179.7783 21 T 3.9688 8.3282 108.1982 65.1077 68.4376 176.3088 22 A 4.1003 8.2017 124.4468 55.0854 18.2643 179.8137 23 T 3.8040 7.9993 113.8049 66.8951 68.6490 176.8957 24 I 3.4994 8.0814 121.8703 64.7715 37.1348 178.6274 25 F 4.1413 7.8060 117.9403 60.3852 38.7371 178.1347 26 S 4.3174 7.8580 113.9666 61.3083 62.8644 176.8011 27 G 3.5705 8.3816 109.5953 47.6040 0.0000 175.7391 28 I 3.7951 8.2162 122.9279 63.8849 37.0068 178.6216 29 G 3.6728 8.0233 106.5622 48.0790 0.0000 175.9366 30 S 4.4369 8.3968 119.0029 60.5360 62.7787 176.4727 31 A 3.9495 8.4256 123.8225 55.1689 18.1105 179.8917 32 K 3.9900 8.4298 117.2708 59.5049 32.1823 179.8724 33 G 3.5604 8.2696 106.1299 47.9608 0.0000 175.8596 34 V 3.7052 8.4494 121.8925 65.2953 31.4842 178.3293 35 G 3.5594 8.3841 105.8313 47.9935 0.0000 175.3401 36 M 4.1840 8.4479 121.6349 58.5646 32.3028 178.3952 37 T 3.9723 8.1225 115.9925 66.5968 68.6553 176.6340 38 G 3.7965 8.3670 107.9440 47.9725 0.0000 175.3163 39 E 3.9435 8.3316 120.5257 59.2319 29.5703 179.3936 40 A 3.9799 7.9040 119.9302 55.0416 18.3673 179.4931 41 A 3.9456 8.5856 119.4155 55.3001 18.3577 179.6377 42 A 3.9408 8.5709 119.4354 55.2131 18.2088 179.5868 43 A 3.9393 7.9201 118.1782 55.3093 18.7265 179.2534 44 L 4.0614 8.0133 118.6801 58.7879 41.0281 179.3811 45 T 4.0047 8.2943 115.8947 66.6192 68.0737 176.5939 46 T 4.1230 7.6777 111.4319 63.8619 68.6454 175.0187 47 S 4.6438 7.4864 115.0246 58.7982 64.7230 174.3627 48 Q 4.7101 8.5651 119.5422 52.0890 28.4341 173.7679 49 P 4.5428 0.0000 0.0000 63.8005 32.1293 178.4183 50 E 4.3023 8.1532 116.8396 57.4227 30.0834 177.5520 51 K 4.6231 7.7194 118.0275 56.5087 32.9085 177.7199 52 F 4.3569 8.2536 123.4794 61.6036 39.2111 177.4022 53 G 3.5288 8.1608 104.6684 47.8985 0.0000 175.4843 54 Q 3.9205 7.9285 119.5070 58.6140 28.7984 178.2911 55 A 3.9535 8.0065 121.8459 55.0101 18.5230 179.4448 56 L 3.6571 7.9349 119.1588 58.2002 41.8696 179.1499 57 I 3.6238 7.2932 118.5342 64.4699 36.8149 178.0465 58 L 4.1033 7.8617 119.6853 57.8871 41.2286 179.4363 59 Q 4.0208 8.0065 118.5334 58.8960 29.1319 177.8729 60 L 4.1136 7.7311 119.7193 56.8973 41.2198 178.9455 61 L 3.9256 7.4870 118.4930 57.6143 41.6986 177.4765 62 P 5.0723 0.0000 0.0000 63.2526 30.7796 178.0015 63 G 3.7403 8.2229 106.2802 46.3906 0.0000 175.8904 64 T 3.7560 7.4777 112.0362 64.2559 68.8475 176.5658 65 Q 4.2163 8.1110 120.7847 59.2474 28.8106 179.4957 66 G 3.6730 8.3725 106.5058 47.6128 0.0000 175.7818 67 L 4.0276 7.2082 118.0639 57.7238 41.5221 178.8162 68 Y 4.4165 7.7423 117.0577 61.2712 37.8605 179.0065 69 G 4.3717 8.2999 107.7200 47.3144 0.0000 175.2531 70 F 4.1783 8.4260 123.2565 61.0006 39.3574 177.2547 71 V 3.7510 8.4339 118.0151 66.2768 31.4108 177.9403 72 I 3.7987 8.5254 119.5596 64.3822 36.8759 178.1823 73 A 3.9918 8.4996 121.9681 55.2873 18.1810 179.5216 74 F 3.8567 8.4076 119.5229 61.1614 39.1671 177.1329 75 L 3.9273 8.2489 119.7891 58.0092 42.0781 178.7406 76 I 3.5965 7.8169 119.8523 64.0672 37.0306 177.9745 77 F 3.8998 8.1005 122.3758 61.2705 39.1537 176.7363 78 I 3.5121 7.3500 109.5859 61.7712 37.0297 175.7686 79 N 4.8476 7.5862 116.9378 53.1298 39.4990 175.5639 80 L 3.6338 7.6263 119.5974 57.5701 41.7284 179.3841 81 G 3.8548 7.5092 105.9660 44.7863 0.0000 172.6639 82 S 4.4363 8.4001 111.2701 58.6220 63.9966 173.6877 83 D 5.0864 7.6163 118.3668 51.5791 43.6092 174.2473 84 M 4.7224 8.0375 122.5429 53.1721 35.4245 174.4808 85 S 4.3497 8.5170 120.8863 57.9952 65.5683 175.5488 86 V 3.6810 8.2388 122.0487 66.0444 31.3573 178.1776 87 V 3.4832 7.8114 117.6328 66.1903 31.2712 177.6895 88 Q 3.8999 8.2422 119.0863 58.9787 28.8909 177.9870 89 G 4.0773 8.3930 107.0550 48.2939 0.0000 175.5027 90 L 3.8947 8.3715 122.0942 57.2805 41.5493 179.3297 91 N 4.2237 8.1353 116.4484 56.3982 38.5914 177.3989 92 F 4.3002 8.1474 119.0337 60.3867 38.7702 177.3717 93 L 4.1955 8.1799 119.1597 58.1899 42.2096 178.9724 94 G 3.7627 8.5008 105.6768 47.9374 0.0000 175.1846 95 A 4.0643 8.5135 124.3164 55.0829 18.2614 179.6734 96 S 4.2878 8.1052 111.5649 60.7434 63.2626 176.7568 97 L 4.1679 7.9769 123.2797 57.4066 41.4216 177.1469 98 P 4.3581 0.0000 0.0000 66.0237 31.3579 178.4609 99 I 3.8416 8.0692 116.8159 63.8340 37.9891 177.5382 100 A 3.9743 8.0786 121.8267 55.2999 18.1919 179.2639 101 F 4.6171 8.3913 115.4761 59.6602 39.7965 178.6597 102 T 4.2473 8.4483 109.9724 64.5926 68.4827 176.7846 103 G 3.7872 8.3842 108.6247 47.7431 0.0000 174.9386 104 L 4.0142 7.8834 123.1157 58.1438 41.9829 179.2071 105 F 4.2024 8.5564 117.5955 60.4144 38.9009 178.1013 106 S 4.3676 8.9370 114.6832 61.2980 62.8720 176.4343 107 G 4.0217 8.3841 109.7346 47.7812 0.0000 175.4311 108 I 3.7055 7.6798 122.0967 63.9556 37.0657 178.4134 109 A 4.0604 8.3981 121.8196 55.3060 18.3477 179.4826 110 Q 4.0808 9.1729 119.3738 59.1948 29.1482 178.5683 111 G 3.6818 8.2647 106.8544 47.7796 0.0000 175.7668 112 K 4.0365 8.0201 120.5897 59.2217 32.0721 179.6868 113 V 3.6024 7.7095 118.4093 65.7550 31.4726 177.8901 114 A 3.9722 8.5946 120.7116 55.1582 18.0389 179.1228 115 A 3.9202 8.2793 118.0342 55.6685 18.8330 179.4969 116 A 4.1881 8.2115 119.0720 55.0999 18.4069 179.9050 117 G 3.7333 8.6184 104.8098 48.1938 0.0000 175.5462 118 I 3.7352 7.7957 121.9876 64.7765 37.1608 178.3820 119 Q 4.0555 8.1369 118.0087 58.5434 28.4042 178.7380 120 I 3.7316 7.6527 120.7559 64.2727 37.0423 177.7847 121 L 3.8700 7.8322 119.5647 58.1232 41.9312 178.5738 122 A 4.1420 8.0877 119.8038 55.0673 18.4620 179.0849 123 K 4.3378 7.9315 114.8134 57.2333 34.3342 177.7012 124 K 4.7087 8.7796 118.6653 53.8020 32.7180 175.1534 125 P 4.3782 0.0000 0.0000 65.5340 31.8010 178.8717 126 E 4.1812 8.1442 116.3500 58.0064 29.8137 176.6902 127 H 4.8187 8.4516 116.2412 55.3028 29.7723 175.6690 128 A 4.0120 7.8627 125.2172 55.7944 17.9017 180.4072 129 T 3.7998 8.0418 113.5321 66.9497 68.3936 176.4144 130 K 3.7056 8.1864 120.1968 59.3386 32.0712 179.4056 131 G 3.8087 8.0665 105.3291 47.9313 0.0000 175.4326 132 I 3.6938 7.5631 121.6654 64.2262 37.2702 178.5476 133 I 3.6417 7.8209 120.6788 64.3385 36.6819 178.3156 134 F 4.4995 7.6906 117.1243 60.8681 39.1095 177.3669 135 A 4.2071 8.2347 119.9576 55.1489 18.1928 179.4411 136 A 4.0219 8.6052 119.6022 55.6550 17.9767 179.7509 137 M 4.1252 8.0890 116.6879 58.3960 32.0680 178.9525 138 V 3.7131 8.0120 118.5366 65.4726 31.7008 177.3380 139 E 4.0045 8.1698 119.5118 59.7610 29.2874 178.6831 140 T 3.6318 7.2255 115.1927 67.1681 68.4203 175.7288 141 Y 4.2974 7.4474 117.2583 60.3790 37.9636 177.9493 142 A 4.1384 8.0671 121.4887 55.2514 18.6718 179.4261 143 I 3.2932 7.6991 118.2415 64.5090 37.1939 178.6122 144 L 4.1179 8.3713 120.2277 57.7644 41.4325 179.8129 145 G 4.0973 8.2632 106.9422 47.2499 0.0000 175.4814 146 F 4.1871 8.6686 123.6130 60.9944 39.3879 177.3501 147 V 3.4554 8.3104 118.2457 66.0108 31.2396 178.0774 148 I 3.7095 7.7301 119.4367 64.4769 36.8891 178.4511 149 S 4.3735 8.1026 117.3431 60.9084 62.6992 176.5094 150 F 3.7101 8.2859 123.4559 61.2227 38.9633 177.0116 151 L 4.0426 8.1226 118.4579 58.0376 41.2543 179.6719 152 L 3.9511 7.8805 117.5915 57.5343 41.7977 179.5793 153 V 3.7446 8.0069 118.5481 66.1235 31.3633 178.1880 154 L 3.9289 7.4767 116.9979 57.0260 41.4676 178.0301 155 N 4.5875 7.3847 114.1435 53.3080 39.2928 174.4583 156 A 3.7954 7.3030 127.3399 53.0529 18.2325 177.1869 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 8.16 4.53 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.66 0.00 2 M 8.01 4.06 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.78 0.00 3 D 8.32 4.36 0.00 2.80 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 4 Y 7.96 4.15 0.00 3.09 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 5 L 8.49 3.75 0.00 1.91 1.78 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.40 3.72 2.03 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 1.60 0.60 0.91 0.00 0.00 7 T 7.34 4.36 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 8 Q 7.09 4.40 0.00 1.23 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 9 N 8.26 4.16 0.00 2.87 2.80 0.00 0.00 6.95 8.22 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 10 G 8.29 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 11 G 8.04 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 12 M 8.19 4.02 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.68 0.00 13 V 7.63 3.53 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 0.63 0.00 0.00 0.19 0.00 0.00 14 F 7.93 4.33 0.00 3.34 3.22 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 15 A 8.02 4.09 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 16 V 8.21 3.50 2.19 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 0.99 0.00 0.00 0.99 0.00 0.00 17 L 8.17 3.99 0.00 1.97 1.97 1.00 1.08 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 18 A 8.28 4.25 1.54 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 0.00 0.00 19 M 8.12 3.99 0.00 2.08 2.28 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 2.75 2.69 0.00 20 A 8.19 4.03 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 21 T 8.33 3.97 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 1.52 0.00 0.00 22 A 8.20 4.10 1.54 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 0.00 0.00 23 T 8.00 3.80 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 1.30 0.00 0.00 24 I 8.08 3.50 1.47 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 1.35 0.53 0.19 0.00 0.00 25 F 7.81 4.14 0.00 2.83 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 26 S 7.86 4.32 0.00 4.14 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 27 G 8.38 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 0.00 0.00 0.00 28 I 8.22 3.80 1.94 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.68 0.88 0.00 0.00 29 G 8.02 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 30 S 8.40 4.44 0.00 3.98 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 31 A 8.43 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 32 K 8.43 3.99 0.00 1.88 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.43 7.81 33 G 8.27 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 34 V 8.45 3.71 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 1.06 0.00 0.00 0.94 0.00 0.00 35 G 8.38 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 36 M 8.45 4.18 0.00 2.05 2.08 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 2.60 2.59 0.00 37 T 8.12 3.97 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 1.25 0.00 0.00 38 G 8.37 3.80 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 0.00 0.00 0.00 39 E 8.33 3.94 0.00 2.23 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 2.54 0.00 40 A 7.90 3.98 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 41 A 8.59 3.95 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 42 A 8.57 3.94 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 43 A 7.92 3.94 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 44 L 8.01 4.06 0.00 1.80 1.89 0.94 0.70 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 45 T 8.29 4.00 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 1.20 0.00 0.00 46 T 7.68 4.12 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 1.28 0.00 0.00 47 S 7.49 4.64 0.00 4.14 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 48 Q 8.57 4.71 0.00 2.07 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 49 P 0.00 4.54 0.00 2.18 2.27 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 50 E 8.15 4.30 0.00 2.16 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 2.38 2.29 0.00 51 K 7.72 4.62 0.00 1.90 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.37 7.81 52 F 8.25 4.36 0.00 3.23 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 53 G 8.16 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 54 Q 7.93 3.92 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 55 A 8.01 3.95 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 56 L 7.93 3.66 0.00 1.07 1.43 0.81 0.59 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 57 I 7.29 3.62 1.94 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 1.45 0.65 0.86 0.00 0.00 58 L 7.86 4.10 0.00 1.86 1.71 0.91 0.80 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 59 Q 8.01 4.02 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 60 L 7.73 4.11 0.00 1.86 1.62 0.85 0.27 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 61 L 7.49 3.93 0.00 1.95 1.74 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 5.07 0.00 2.24 2.25 0.00 4.01 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 2.24 2.05 0.00 63 G 8.22 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 0.00 0.00 0.00 64 T 7.48 3.76 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 1.05 0.00 0.00 65 Q 8.11 4.22 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.87 2.69 0.00 66 G 8.37 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 67 L 7.21 4.03 0.00 1.55 1.60 0.74 0.62 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 68 Y 7.74 4.42 0.00 3.28 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 69 G 8.30 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 0.00 0.00 0.00 0.00 70 F 8.43 4.18 0.00 3.26 3.28 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 0.00 71 V 8.43 3.75 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 1.52 0.00 0.00 1.20 0.00 0.00 72 I 8.53 3.80 2.19 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 1.99 1.10 0.98 0.00 0.00 73 A 8.50 3.99 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 74 F 8.41 3.86 0.00 2.68 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 75 L 8.25 3.93 0.00 1.87 1.80 0.93 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.82 3.60 1.89 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 1.50 0.61 0.31 0.00 0.00 77 F 8.10 3.90 0.00 2.93 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 78 I 7.35 3.51 1.67 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 1.34 0.56 0.37 0.00 0.00 79 N 7.59 4.85 0.00 2.78 2.88 0.00 0.00 6.93 8.44 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 80 L 7.63 3.63 0.00 1.32 1.51 0.78 0.43 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 81 G 7.51 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 0.00 0.00 0.00 82 S 8.40 4.44 0.00 3.95 3.95 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 83 D 7.62 5.09 0.00 2.59 2.51 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 84 M 8.04 4.72 0.00 2.18 1.86 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.64 0.00 85 S 8.52 4.35 0.00 4.09 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 86 V 8.24 3.68 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 0.86 0.00 0.00 1.09 0.00 0.00 87 V 7.81 3.48 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 0.92 0.00 0.00 0.89 0.00 0.00 88 Q 8.24 3.90 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.31 2.06 0.00 89 G 8.39 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 0.00 0.00 0.00 0.00 90 L 8.37 3.89 0.00 1.69 1.57 0.65 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.14 4.22 0.00 2.64 2.60 0.00 0.00 7.01 7.75 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 92 F 8.15 4.30 0.00 3.40 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 L 8.18 4.20 0.00 1.79 1.97 1.08 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.50 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.51 4.06 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 96 S 8.11 4.29 0.00 4.27 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 0.00 97 L 7.98 4.17 0.00 1.93 1.96 0.97 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.36 0.00 2.33 2.19 0.00 3.82 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 99 I 8.07 3.84 2.06 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.47 1.11 0.00 0.00 100 A 8.08 3.97 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 0.00 101 F 8.39 4.62 0.00 3.28 3.31 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 0.00 102 T 8.45 4.25 4.55 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 1.39 0.00 0.00 103 G 8.38 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 0.00 0.00 0.00 104 L 7.88 4.01 0.00 2.03 1.89 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.56 4.20 0.00 3.32 3.17 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 0.00 106 S 8.94 4.37 0.00 4.20 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 0.00 107 G 8.38 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 0.00 108 I 7.68 3.71 2.01 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 1.43 1.16 0.94 0.00 0.00 109 A 8.40 4.06 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 0.00 110 Q 9.17 4.08 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 111 G 8.26 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 0.00 112 K 8.02 4.04 0.00 2.05 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.58 7.81 113 V 7.71 3.60 2.15 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 1.02 0.00 0.00 1.05 0.00 0.00 114 A 8.59 3.97 1.42 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 0.00 0.00 115 A 8.28 3.92 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 0.00 116 A 8.21 4.19 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 0.00 117 G 8.62 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 0.00 0.00 0.00 118 I 7.80 3.74 2.08 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 1.72 0.97 0.95 0.00 0.00 119 Q 8.14 4.06 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 120 I 7.65 3.73 2.09 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.00 0.97 0.00 0.00 121 L 7.83 3.87 0.00 1.64 1.91 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.09 4.14 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 0.00 123 K 7.93 4.34 0.00 1.85 1.89 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.62 7.81 124 K 8.78 4.71 0.00 1.71 1.78 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.51 7.81 125 P 0.00 4.38 0.00 2.22 2.43 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 126 E 8.14 4.18 0.00 1.91 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 2.29 2.31 0.00 127 H 8.45 4.82 0.00 3.28 3.24 0.00 5.63 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 0.00 128 A 7.86 4.01 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 0.00 129 T 8.04 3.80 4.19 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 1.15 0.00 0.00 130 K 8.19 3.71 0.00 1.91 1.56 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.41 7.81 131 G 8.07 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 0.00 132 I 7.56 3.69 1.99 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 1.50 0.51 0.88 0.00 0.00 133 I 7.82 3.64 1.71 0.00 0.00 0.76 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 0.95 0.80 0.00 0.00 134 F 7.69 4.50 0.00 3.22 3.02 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 0.00 135 A 8.23 4.21 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 0.00 0.00 136 A 8.61 4.02 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 0.00 137 M 8.09 4.13 0.00 2.19 2.40 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 2.75 3.04 0.00 138 V 8.01 3.71 2.30 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 1.18 0.00 0.00 1.04 0.00 0.00 139 E 8.17 4.00 0.00 2.20 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 2.36 2.49 0.00 140 T 7.23 3.63 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 0.83 0.00 0.00 141 Y 7.45 4.30 0.00 3.30 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 0.00 142 A 8.07 4.14 1.58 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 0.00 0.00 143 I 7.70 3.29 1.89 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 1.28 0.40 0.83 0.00 0.00 144 L 8.37 4.12 0.00 1.70 1.77 0.98 0.84 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 0.00 145 G 8.26 4.10 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 0.00 0.00 0.00 146 F 8.67 4.19 0.00 2.86 2.96 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 0.00 147 V 8.31 3.46 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 0.96 0.00 0.00 0.96 0.00 0.00 148 I 7.73 3.71 1.90 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 1.72 0.75 0.93 0.00 0.00 149 S 8.10 4.37 0.00 4.08 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 0.00 150 F 8.29 3.71 0.00 2.57 2.96 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 0.00 151 L 8.12 4.04 0.00 1.91 1.72 0.94 0.59 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 0.00 152 L 7.88 3.95 0.00 1.78 1.69 0.92 1.04 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 0.00 153 V 8.01 3.74 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 1.07 0.00 0.00 0.99 0.00 0.00 154 L 7.48 3.93 0.00 1.69 1.64 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.38 4.59 0.00 2.60 2.81 0.00 0.00 7.15 8.99 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 0.00 156 A 7.30 3.80 0.13 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 0.00 0.00