NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.9402 8.3093 119.4223 56.9796 39.5654 174.7755 4 S 3.9534 8.6226 121.2768 58.0483 64.0623 171.6024 5 E 3.9180 9.1281 124.9708 59.4433 29.7133 179.8341 6 E 4.1658 8.2452 119.1534 59.4136 29.4351 178.8235 7 Q 3.9356 7.6485 117.2125 59.4975 28.8369 177.9227 8 T 2.9877 7.7524 118.1494 66.1847 68.2156 176.1810 9 A 3.8999 8.6373 122.5408 55.1735 18.5905 179.2323 10 E 4.3034 7.7352 116.2214 59.2226 29.6180 179.0613 11 F 4.4903 9.2416 119.3530 61.0547 39.0659 177.8372 12 K 4.0996 8.0310 117.6393 59.8829 31.7070 179.0435 13 E 4.0156 8.5828 118.6425 59.2982 29.0853 179.5027 14 A 4.0713 7.9418 119.4642 55.0521 19.2344 178.7095 15 F 3.9533 8.9979 119.4998 61.8035 39.2350 177.1833 16 Q 4.3189 8.8578 116.3195 58.7963 28.9440 179.1439 17 L 4.4112 7.5658 121.2462 54.4425 42.0156 177.6250 18 F 4.5567 7.5064 110.5073 57.3339 41.5609 173.9728 19 D 4.8011 7.9328 120.4534 52.1398 42.6602 175.3678 20 R 4.0474 8.9056 127.7870 59.3861 30.9231 176.8612 21 T 3.8719 8.0723 106.5540 61.7673 68.3264 174.3896 22 G 4.6108 8.6019 121.1057 44.8636 0.0000 174.4034 23 D 4.4098 8.3649 119.7479 55.0518 39.1630 177.2519 24 G 4.1047 8.3897 106.0417 45.7090 0.0000 173.1397 25 K 5.7544 8.6753 117.2785 53.3886 35.6869 176.6519 26 I 4.2109 8.2824 124.5545 59.2492 39.0458 174.9920 27 L 4.2558 8.7754 127.1704 55.5898 42.0365 178.0907 28 Y 4.2448 9.0468 121.0128 61.7613 37.9637 179.1793 29 S 4.2172 8.4583 114.5847 61.4396 63.2890 176.2494 30 Q 3.8033 8.2417 122.3003 58.3147 28.3456 179.1471 31 C 3.7412 7.9372 119.4576 62.5642 31.6160 175.5512 32 G 3.7863 7.6920 106.7499 48.5198 0.0000 175.0872 33 D 4.3396 7.9078 121.1281 56.7084 40.7961 179.1173 34 V 2.7888 7.4015 118.6649 65.8288 31.3188 178.1343 35 M 4.0923 8.1574 118.6391 58.2973 31.7373 178.7627 36 R 4.6663 8.3695 119.4361 59.0566 30.1224 178.7513 37 A 3.8330 8.6389 120.2209 55.3192 18.2591 178.6007 38 L 4.4090 7.3551 115.1429 54.6524 41.7479 177.2009 39 G 3.8538 8.7026 106.9450 46.5901 0.0000 173.6462 40 Q 4.6789 7.8263 119.9077 54.0868 31.1783 175.3187 41 N 5.1695 8.3051 120.5592 51.8373 39.3412 173.5226 42 P 4.5322 0.0000 0.0000 62.6581 32.5110 177.1055 43 T 4.1648 9.4384 113.6423 61.4273 70.5783 175.2505 44 N 4.3430 8.7417 117.6850 56.1117 38.3235 177.6197 45 A 4.0622 7.9406 122.1626 55.1568 18.4958 179.3937 46 E 3.9005 8.2246 115.1057 59.1714 29.4773 179.1512 47 V 3.8363 7.2886 117.5878 65.5070 31.8647 177.6714 48 M 3.9060 7.6448 116.6834 58.3556 31.8764 177.8013 49 K 3.8145 8.1051 119.7550 59.3117 32.3278 177.1016 50 V 4.2497 7.0969 115.8639 62.8961 31.3888 175.8272 51 L 4.4524 7.9651 115.0148 52.9006 43.4584 177.1431 52 G 3.8198 8.3314 105.9315 45.9667 0.0000 174.1530 53 N 4.1445 8.2443 112.9617 53.6474 35.9267 173.2509 54 P 4.7067 0.0000 0.0000 61.9134 33.4524 175.7556 55 K 4.5660 8.1181 117.3842 56.7213 35.6854 178.8873 56 S 3.6252 7.7650 117.8233 60.0068 65.4659 175.1565 57 D 4.3620 8.1121 121.3379 56.1252 38.9195 178.3082 58 E 4.1122 8.4834 118.9387 57.5741 29.5157 177.9752 59 M 4.4169 7.8333 118.8048 56.4766 32.3668 175.9061 60 N 4.9033 7.9503 116.0504 53.1966 40.2043 174.1311 61 L 4.5083 7.6235 115.1090 56.9621 43.7329 177.1668 62 K 3.9635 7.7287 118.0920 57.0840 33.0440 175.9689 63 T 5.4085 8.2125 111.9115 60.0755 72.4887 172.5265 64 L 5.3911 8.5684 118.8426 52.2429 46.5536 175.9075 65 K 4.8796 8.6477 120.2225 54.4910 35.1669 176.7599 66 F 2.8119 8.4711 126.7745 61.3546 39.0906 177.2347 67 E 3.9776 8.4492 116.9750 59.3211 29.3142 178.0122 68 Q 4.2672 8.4287 116.7459 57.5093 29.1625 177.7942 69 F 4.1032 7.6925 122.8244 60.8584 39.6113 176.4512 70 L 3.4153 8.3184 121.3845 57.7892 41.9097 177.2183 71 P 4.9841 0.0000 0.0000 65.2490 30.7316 177.8695 72 M 4.5271 7.9154 119.9920 57.0601 32.2479 177.6752 73 M 3.5780 7.1997 117.8836 59.0702 32.1422 178.1002 74 Q 4.0923 8.1734 117.6513 59.2341 28.9760 178.7268 75 T 3.8291 7.4793 109.3336 65.5557 68.4964 175.4426 76 I 3.7472 8.2707 121.8061 63.5096 37.2233 178.4742 77 A 3.8865 7.9660 123.4886 54.6285 18.9762 177.7630 78 K 4.2796 7.8119 117.9075 55.2247 31.5663 175.4644 79 N 5.1420 8.1650 120.1046 50.9590 42.5585 175.1831 80 K 4.2236 8.6018 117.9196 58.9387 32.8385 176.6664 81 D 4.8599 8.1826 117.9812 55.0756 43.3972 174.3841 82 Q 4.8735 8.1212 126.3269 56.8360 31.1055 174.3613 83 G 4.2449 8.0660 111.9527 44.9133 0.0000 171.8770 84 C 4.6323 6.0706 112.5501 56.9634 31.2901 172.8137 85 F 4.0628 8.5115 121.7050 60.3202 39.5155 177.4164 86 E 3.9754 8.0011 122.3156 59.2942 30.1377 179.1421 87 D 4.5414 8.0358 117.8765 56.5733 41.4137 177.8201 88 Y 4.5001 7.6572 117.0626 62.0857 37.9179 179.4960 89 V 3.4718 7.5853 112.1538 64.2729 31.5729 177.9367 90 E 4.1214 7.6801 118.4518 59.2042 29.5183 179.0487 91 G 3.6812 7.7753 105.1477 47.5257 0.0000 175.9633 92 L 4.2126 7.5428 121.2361 57.2532 41.5395 178.9667 93 R 3.4187 7.5181 117.2798 58.0808 30.0465 177.4939 94 V 3.7598 7.0434 115.3508 64.1027 31.7086 175.7598 95 F 4.9031 8.1924 115.7454 58.0306 39.9444 176.3875 96 D 4.7748 8.2945 122.9522 54.0878 39.3110 177.6082 97 K 4.7274 7.3450 123.9027 58.6428 34.6872 176.4118 98 E 4.6766 8.7092 117.1487 57.4775 31.4003 174.7677 99 G 4.3500 8.2734 102.9757 46.1619 0.0000 172.1750 100 N 4.3140 8.2551 119.5191 54.7499 38.5071 176.4457 101 G 4.0483 9.6788 105.2814 44.5578 0.0000 172.9996 102 T 4.6059 7.2594 108.0419 59.6843 72.1397 173.3359 103 V 4.6379 8.4100 122.2674 61.0560 35.3497 174.5489 104 M 4.4171 8.6515 125.6946 54.9969 32.4405 177.6112 105 G 4.2931 9.4605 110.5812 45.7341 0.0000 174.3774 106 A 4.2177 7.9746 122.9564 53.4784 20.6396 178.9842 107 E 4.0151 7.8328 116.5944 59.5176 29.6728 179.3538 108 I 3.5484 7.6030 119.3974 64.3384 37.0448 178.3256 109 R 3.9430 7.2335 117.9264 59.9375 29.8673 176.7235 110 H 4.3808 8.5514 119.4438 56.6968 29.5926 177.6352 111 V 3.2860 7.0293 118.7236 65.8691 32.3706 178.4147 112 L 4.0817 7.7525 118.1685 56.4579 41.4268 177.8471 113 V 4.7608 9.6177 118.6182 61.8867 31.8178 176.2672 114 T 4.4895 7.7744 104.0758 62.2008 71.9796 172.9602 115 L 4.7881 7.4855 121.1243 53.8508 46.3859 178.3764 116 G 3.7124 8.6763 109.3991 46.6180 0.0000 175.7714 117 E 4.2733 8.6505 114.8792 55.9274 27.2164 176.1534 118 K 3.7809 7.7641 116.8310 57.4556 33.0931 177.7615 119 M 4.6576 8.2123 125.2675 54.7984 34.5541 175.2586 120 T 4.6713 8.6194 109.3357 60.1802 71.7631 175.5344 121 E 3.9436 8.8799 120.9263 59.8986 29.2302 179.3075 122 E 3.8949 8.0721 118.8826 59.1480 29.7391 178.3938 123 E 3.9139 8.2628 118.5796 60.1189 29.5799 180.0725 124 V 3.6001 7.9057 111.6958 64.5417 31.6155 177.7812 125 E 3.8245 8.0279 118.7327 59.9426 29.1661 178.8695 126 Q 3.9919 8.3124 117.9791 59.6593 28.8815 178.2879 127 L 4.0868 7.5829 120.8577 57.6103 42.3788 178.8047 128 V 3.7762 8.4370 111.9280 63.1275 31.6032 175.9076 129 A 4.0027 7.4820 121.1551 54.5306 17.7293 177.2184 130 G 4.0762 9.4027 111.0839 46.0979 0.0000 172.8803 131 H 4.7810 8.5526 114.5927 54.9297 30.7482 173.1980 132 E 4.5968 7.9708 120.6539 55.4991 30.9108 176.1128 133 D 4.9892 8.4659 125.0328 52.7272 41.4453 177.0780 134 S 4.0777 8.8109 111.5998 61.8513 63.0089 174.5959 135 N 4.7510 8.3550 116.1713 52.5216 38.5899 174.7506 136 G 4.0055 8.0065 105.5214 46.8185 0.0000 173.0572 137 C 4.9025 8.9476 117.0698 57.8449 30.4120 173.3477 138 I 5.1210 8.3313 124.2888 59.0191 39.8701 174.5726 139 N 4.7567 8.4926 124.7148 52.0605 39.7695 174.6097 140 Y 4.2118 8.5406 124.8860 61.0056 38.2567 179.6945 141 E 4.0675 8.0208 120.5184 58.5094 30.1545 179.4713 142 E 4.1176 8.0520 118.3763 59.1868 29.7245 178.6664 143 L 3.9895 8.0400 120.2060 58.8691 41.9932 178.9266 144 V 3.4414 8.7720 118.8643 66.2261 31.3825 177.9011 145 R 4.2876 8.1762 117.5255 59.8845 30.2032 178.4393 146 M 4.0328 8.5536 118.0760 59.1689 32.0219 178.8054 147 V 3.7122 7.6326 111.5899 63.8222 31.8901 178.0277 148 L 4.0783 8.3411 118.4914 55.9465 41.1397 177.8399 149 S 4.2011 6.6634 125.3932 61.8144 64.1246 175.2959 150 G 3.7724 7.8433 112.7846 45.7032 0.0000 173.3297 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 F 8.31 4.94 0.00 3.08 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 4 S 8.62 3.95 0.00 4.13 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 5 E 9.13 3.92 0.00 2.08 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 2.35 2.40 0.00 6 E 8.25 4.17 0.00 2.06 1.93 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 2.37 2.39 0.00 7 Q 7.65 3.94 0.00 1.85 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.49 0.00 0.00 0.00 0.00 0.00 2.41 1.85 0.00 8 T 7.75 2.99 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 1.30 0.00 0.00 9 A 8.64 3.90 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 10 E 7.74 4.30 0.00 2.28 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 2.40 2.78 0.00 11 F 9.24 4.49 0.00 3.50 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 12 K 8.03 4.10 0.00 1.67 1.55 0.00 1.64 0.00 0.00 1.37 0.00 0.00 2.64 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.33 1.50 7.81 13 E 8.58 4.02 0.00 2.14 2.06 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 2.36 2.58 0.00 14 A 7.94 4.07 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.00 3.95 0.00 3.15 3.46 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 16 Q 8.86 4.32 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.44 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 17 L 7.57 4.41 0.00 1.72 1.83 0.82 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 18 F 7.51 4.56 0.00 3.11 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.93 4.80 0.00 2.59 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 20 R 8.91 4.05 0.00 1.81 1.95 0.00 3.28 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 21 T 8.07 3.87 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 22 G 8.60 4.61 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 23 D 8.36 4.41 0.00 2.84 2.88 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 24 G 8.39 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 25 K 8.68 5.75 0.00 1.81 1.75 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.50 7.81 26 I 8.28 4.21 1.55 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.29 0.65 0.00 0.00 27 L 8.78 4.26 0.00 1.61 1.66 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 9.05 4.24 0.00 2.75 3.09 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 29 S 8.46 4.22 0.00 4.04 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 0.00 30 Q 8.24 3.80 0.00 1.85 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 31 C 7.94 3.74 0.00 2.93 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 32 G 7.69 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 33 D 7.91 4.34 0.00 2.60 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 34 V 7.40 2.79 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 0.44 0.00 0.00 -0.75 0.00 0.00 35 M 8.16 4.09 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.71 0.00 36 R 8.37 4.67 0.00 2.00 1.99 0.00 3.26 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 1.73 0.00 37 A 8.64 3.83 1.52 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 0.00 0.00 38 L 7.36 4.41 0.00 1.65 1.38 0.04 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.70 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 40 Q 7.83 4.68 0.00 2.35 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 41 N 8.31 5.17 0.00 2.74 2.77 0.00 0.00 7.00 8.02 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 42 P 0.00 4.53 0.00 2.16 2.04 0.00 3.84 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 43 T 9.44 4.16 4.33 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 1.31 0.00 0.00 44 N 8.74 4.34 0.00 3.03 2.91 0.00 0.00 6.70 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 45 A 7.94 4.06 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 46 E 8.22 3.90 0.00 2.09 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 2.31 2.38 0.00 47 V 7.29 3.84 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 0.95 0.00 0.00 0.95 0.00 0.00 48 M 7.64 3.91 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 49 K 8.11 3.81 0.00 1.71 1.94 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.38 7.81 50 V 7.10 4.25 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 0.77 0.00 0.00 0.88 0.00 0.00 51 L 7.97 4.45 0.00 1.65 1.54 0.63 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.33 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 53 N 8.24 4.14 0.00 2.83 2.83 0.00 0.00 7.14 8.02 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 P 0.00 4.71 0.00 2.17 2.14 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.60 0.00 55 K 8.12 4.57 0.00 2.24 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.50 7.81 56 S 7.76 3.63 0.00 4.04 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 57 D 8.11 4.36 0.00 2.88 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 58 E 8.48 4.11 0.00 2.11 2.21 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 2.53 2.48 0.00 59 M 7.83 4.42 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.79 0.00 60 N 7.95 4.90 0.00 2.67 2.77 0.00 0.00 7.00 7.06 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 61 L 7.62 4.51 0.00 1.57 1.62 0.92 0.89 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 62 K 7.73 3.96 0.00 1.06 0.74 0.00 1.08 0.00 0.00 1.44 0.00 0.00 2.66 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.16 0.96 7.81 63 T 8.21 5.41 4.32 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 1.25 0.00 0.00 64 L 8.57 5.39 0.00 2.08 1.88 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.65 4.88 0.00 1.72 1.71 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.49 7.81 66 F 8.47 2.81 0.00 2.56 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 67 E 8.45 3.98 0.00 2.08 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 2.36 2.38 0.00 68 Q 8.43 4.27 0.00 2.35 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.71 0.00 69 F 7.69 4.10 0.00 3.09 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 70 L 8.32 3.42 0.00 1.26 1.65 1.25 1.05 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 71 P 0.00 4.98 0.00 2.25 2.29 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.98 0.00 72 M 7.92 4.53 0.00 1.81 1.88 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.27 0.00 73 M 7.20 3.58 0.00 1.95 1.52 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 2.19 2.07 0.00 74 Q 8.17 4.09 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.36 0.00 0.00 0.00 0.00 0.00 2.64 2.75 0.00 75 T 7.48 3.83 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 1.22 0.00 0.00 76 I 8.27 3.75 1.99 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 1.39 0.66 0.89 0.00 0.00 77 A 7.97 3.89 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 78 K 7.81 4.28 0.00 1.70 1.73 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.40 7.81 79 N 8.16 5.14 0.00 2.65 2.69 0.00 0.00 7.21 7.61 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 80 K 8.60 4.22 0.00 1.72 1.85 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.50 7.81 81 D 8.18 4.86 0.00 2.60 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 82 Q 8.12 4.87 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 83 G 8.07 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 0.00 0.00 0.00 0.00 84 C 6.07 4.63 0.00 3.05 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 85 F 8.51 4.06 0.00 3.21 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 86 E 8.00 3.98 0.00 2.03 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 2.38 2.53 0.00 87 D 8.04 4.54 0.00 2.52 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 88 Y 7.66 4.50 0.00 3.09 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 89 V 7.59 3.47 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 0.40 0.00 0.00 0.87 0.00 0.00 90 E 7.68 4.12 0.00 1.86 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 0.00 2.26 2.30 0.00 91 G 7.78 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 92 L 7.54 4.21 0.00 1.31 1.67 0.93 0.91 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 93 R 7.52 3.42 0.00 1.23 1.77 0.00 3.39 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 94 V 7.04 3.76 1.48 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 0.46 0.00 0.00 0.77 0.00 0.00 95 F 8.19 4.90 0.00 3.20 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 96 D 8.29 4.77 0.00 3.00 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 97 K 7.35 4.73 0.00 1.83 1.81 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.56 7.81 98 E 8.71 4.68 0.00 2.24 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 2.28 0.00 99 G 8.27 4.35 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 0.00 100 N 8.26 4.31 0.00 2.73 2.90 0.00 0.00 7.15 7.24 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 0.00 101 G 9.68 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 0.00 102 T 7.26 4.61 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 1.10 0.00 0.00 103 V 8.41 4.64 2.21 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 1.17 0.00 0.00 1.31 0.00 0.00 104 M 8.65 4.42 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.57 0.00 105 G 9.46 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 0.00 0.00 0.00 0.00 106 A 7.97 4.22 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 0.00 107 E 7.83 4.02 0.00 2.11 1.94 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 2.37 2.40 0.00 108 I 7.60 3.55 1.86 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 1.54 1.49 0.88 0.00 0.00 109 R 7.23 3.94 0.00 1.98 1.94 0.00 3.24 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 110 H 8.55 4.38 0.00 3.36 3.09 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.03 3.29 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 0.87 0.00 0.00 -0.09 0.00 0.00 112 L 7.75 4.08 0.00 1.76 1.66 0.87 1.06 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 0.00 113 V 9.62 4.76 2.06 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 0.82 0.00 0.00 0.96 0.00 0.00 114 T 7.77 4.49 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 1.11 0.00 0.00 115 L 7.49 4.79 0.00 1.67 1.56 0.91 1.07 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 0.00 116 G 8.68 3.71 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 0.00 117 E 8.65 4.27 0.00 1.97 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 2.32 2.29 0.00 118 K 7.76 3.78 0.00 1.62 1.79 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.55 7.81 119 M 8.21 4.66 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.46 0.00 120 T 8.62 4.67 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 1.31 0.00 0.00 121 E 8.88 3.94 0.00 2.17 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 2.36 2.35 0.00 122 E 8.07 3.89 0.00 1.99 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 2.39 2.34 0.00 123 E 8.26 3.91 0.00 2.27 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 2.33 2.38 0.00 124 V 7.91 3.60 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 0.69 0.00 0.00 1.03 0.00 0.00 125 E 8.03 3.82 0.00 2.30 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 0.00 2.31 2.41 0.00 126 Q 8.31 3.99 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 127 L 7.58 4.09 0.00 1.60 1.71 0.87 1.06 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 0.00 128 V 8.44 3.78 2.06 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 0.78 0.00 0.00 1.03 0.00 0.00 129 A 7.48 4.00 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 0.00 130 G 9.40 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 0.00 0.00 0.00 0.00 131 H 8.55 4.78 0.00 3.32 3.30 0.00 5.81 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 0.00 132 E 7.97 4.60 0.00 2.03 1.94 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 2.39 2.30 0.00 133 D 8.47 4.99 0.00 2.90 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 0.00 134 S 8.81 4.08 0.00 3.99 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 0.00 135 N 8.36 4.75 0.00 2.73 2.86 0.00 0.00 6.90 7.65 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 0.00 136 G 8.01 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 137 C 8.95 4.90 0.00 3.06 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 0.00 138 I 8.33 5.12 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 1.25 2.06 0.93 0.00 0.00 139 N 8.49 4.76 0.00 2.67 2.64 0.00 0.00 6.83 7.56 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 0.00 140 Y 8.54 4.21 0.00 3.15 3.24 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 0.00 141 E 8.02 4.07 0.00 2.22 2.14 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 2.37 2.24 0.00 142 E 8.05 4.12 0.00 2.33 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 2.64 2.47 0.00 143 L 8.04 3.99 0.00 1.79 1.87 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.77 3.44 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 0.33 0.00 0.00 0.79 0.00 0.00 145 R 8.18 4.29 0.00 2.08 2.19 0.00 3.34 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.20 0.00 146 M 8.55 4.03 0.00 2.22 2.13 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 2.70 2.78 0.00 147 V 7.63 3.71 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 0.75 0.00 0.00 0.98 0.00 0.00 148 L 8.34 4.08 0.00 2.04 1.70 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 149 S 6.66 4.20 0.00 4.10 4.01 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 0.00 0.00 0.00 150 G 7.84 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 0.00 0.00 0.00