NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.3550 0.0000 0.0000 61.8606 32.7713 175.8750 8 E 3.8224 8.6738 124.4644 54.3798 30.2529 175.6105 9 T 4.1929 9.0943 117.8344 61.2637 72.0824 175.0722 10 L 3.9355 8.2795 121.1919 57.8058 41.5098 179.5099 11 E 3.9831 8.2334 117.8432 59.5323 29.5357 179.0843 12 A 4.0003 7.9033 120.3036 55.2084 18.3562 179.9265 13 R 3.8852 8.2296 116.5344 59.5982 30.2778 179.2528 14 I 3.5169 8.6113 118.6702 63.9891 37.6876 177.6771 15 N 4.3570 8.2614 117.0698 56.1424 38.4399 177.2870 16 R 4.0556 7.9051 118.9318 59.0227 30.0671 178.8523 17 A 3.9223 8.2374 120.1676 54.0649 18.0155 178.2131 18 T 4.0701 7.4330 105.9864 60.9629 69.3494 173.2646 19 N 4.4684 7.6715 121.9968 53.6780 39.0518 174.0717 20 P 4.4384 0.0000 0.0000 64.9434 31.5713 177.0224 21 L 4.4265 8.7015 117.0412 55.2123 42.1258 176.9541 22 N 4.5058 8.0959 117.3941 53.6537 38.8449 175.3966 23 K 4.2141 8.7643 122.1335 58.4569 32.7070 176.2236 24 E 4.8445 7.7486 114.2307 54.5609 32.3168 174.4533 25 L 3.7959 8.4751 119.3028 55.1851 42.0334 178.1461 26 D 4.6466 7.7854 122.3384 52.2927 40.1874 176.6361 27 W 4.2073 8.1361 125.1214 58.9382 29.3736 177.4242 28 A 4.0805 8.2049 120.5714 55.4457 17.9118 179.7085 29 S 4.1707 8.1342 113.5151 61.5499 62.7947 176.8216 30 I 3.6226 8.0166 122.9008 64.6790 36.8781 178.3643 31 N 4.6172 8.9583 117.5328 55.9789 38.3190 177.8961 32 G 3.6100 8.1195 107.6739 47.4541 0.0000 175.6537 33 F 4.0536 8.3663 122.9389 61.3680 39.5874 176.6137 34 C 4.0765 8.0555 116.1821 59.9394 34.8800 175.8403 35 E 3.8623 8.2808 120.2291 59.5863 29.2257 179.3478 36 Q 3.8729 8.1355 119.7568 58.9827 28.6431 178.1805 37 L 3.7847 7.6683 120.8493 58.5104 40.1353 178.6504 38 N 4.3419 7.6325 116.7307 55.8069 38.8961 176.3516 39 E 4.0221 7.4870 120.4307 58.1631 30.4795 176.6755 40 D 4.6480 7.4622 118.8202 53.4176 41.8017 177.4406 41 F 4.1836 8.8986 125.6438 61.0664 39.6392 175.5279 42 E 4.2685 8.1695 118.0100 56.2345 29.8257 177.9852 43 G 3.6041 7.8472 109.5769 46.8324 0.0000 174.1622 44 P 4.3538 0.0000 0.0000 64.9008 31.2620 176.9133 45 P 4.3211 0.0000 0.0000 65.4667 31.2757 178.5025 46 L 3.9661 7.6296 117.6642 57.8859 41.9021 178.7803 47 A 4.2161 8.3694 121.5142 55.5101 18.2614 179.7544 48 T 3.6853 8.0724 108.2995 64.9091 68.5138 177.0754 49 R 4.0314 7.9200 120.9676 59.0064 30.0697 179.0258 50 L 4.1053 8.1888 118.7951 57.7968 41.5767 179.5622 51 L 4.0032 8.4954 119.0588 57.7538 41.3792 179.2131 52 A 4.0814 8.4103 119.9034 55.6643 18.4529 178.9216 53 H 4.3004 8.0870 116.3477 59.3926 29.9761 177.6702 54 K 3.9074 7.9319 119.9511 59.5713 31.6456 179.4622 55 I 3.8274 7.9901 119.3446 63.7849 36.9812 177.4074 56 Q 4.3911 7.2564 117.0400 54.7794 29.1056 175.8109 57 S 4.2181 7.2553 115.7434 57.6493 62.8913 172.8608 58 P 4.2887 0.0000 0.0000 64.7203 31.7218 177.0404 59 Q 4.3213 8.0404 118.5090 54.5065 29.0678 175.6613 60 E 3.9659 8.8788 126.9473 59.4040 29.6255 178.5621 61 W 4.7997 8.2864 127.5496 60.3492 30.7632 177.4969 62 E 3.8835 8.4322 120.2046 58.4960 29.1889 178.4591 63 A 4.0750 7.8607 120.5845 55.2696 18.4723 179.6611 64 I 3.6722 8.3257 118.6324 64.7446 37.1949 178.7949 65 Q 3.5898 7.6292 118.5962 58.5095 28.2670 178.5993 66 A 3.8125 7.6880 121.9646 55.1309 18.3705 179.7364 67 L 4.0374 8.0961 117.4971 58.1014 41.5472 179.8839 68 T 3.9760 7.7998 116.0340 66.3779 68.2458 176.9599 69 V 3.4943 7.7266 120.2788 65.7770 31.5740 177.7147 70 L 4.1491 8.1313 120.2375 58.3287 41.9279 178.4703 71 E 4.3098 8.8061 119.5464 59.7466 29.5953 178.8982 72 T 3.9933 8.3633 115.8351 67.1740 68.5770 176.2081 73 C 4.4341 8.6080 119.8246 59.4835 39.8476 176.1573 74 M 4.2605 8.2277 120.0701 58.3505 31.5971 178.5176 75 K 4.2703 8.0210 117.8547 58.9166 32.1538 178.9456 76 S 4.4657 8.2991 114.1904 60.1937 63.5709 174.5308 77 C 4.3856 8.0802 119.5454 58.7430 29.8545 172.2711 78 G 4.1847 7.8799 109.0482 44.6354 0.0000 173.8401 79 K 3.7539 8.8410 119.0563 59.9051 32.0441 179.7257 80 R 3.8166 7.9337 117.4466 59.4080 30.0512 178.7167 81 F 4.1200 7.9991 119.6437 61.5373 39.5151 176.6187 82 H 3.8816 8.2025 115.9748 59.0614 28.2548 177.5621 83 D 4.5117 8.1773 119.9544 57.1338 40.6403 178.4194 84 E 3.9276 7.3865 118.2167 59.3007 29.6424 179.2434 85 V 3.3134 7.2241 118.2681 65.0855 31.0825 177.0383 86 G 3.8737 7.3713 104.0956 43.9310 0.0000 173.1862 87 K 4.4416 6.9711 119.9267 53.7667 34.9346 177.7480 88 F 4.3953 8.1209 120.1663 60.4331 38.5556 177.7173 89 R 4.0181 8.1867 117.6640 59.0737 29.9784 177.1990 90 F 4.5746 7.9211 118.9003 60.3052 40.1127 177.4374 91 L 3.9931 8.2954 118.8763 58.0134 41.4235 179.2997 92 N 4.2637 8.6472 116.7400 56.2776 38.4037 177.2677 93 E 3.8953 7.9928 120.0644 59.0458 29.5198 179.2647 94 L 3.9602 7.3567 118.7546 57.5071 41.8336 179.1638 95 I 3.7159 7.8915 120.0237 64.3476 36.9384 178.5241 96 K 3.7005 7.9207 119.2583 59.3205 31.6458 179.6164 97 V 3.5915 7.2798 117.9072 65.8787 31.3371 178.1159 98 V 3.9578 7.4686 109.2893 61.4164 32.0818 176.1760 99 S 4.5230 7.8873 115.1475 56.5881 62.9529 173.0859 100 P 4.2517 0.0000 0.0000 65.5413 31.2453 177.8489 101 K 4.0234 7.6017 115.9162 58.0798 33.5893 177.0492 102 Y 4.3910 8.4889 112.6543 58.1860 38.4442 176.2113 103 L 4.4894 5.9699 133.3038 55.3849 43.7257 178.6457 104 G 3.9986 8.4273 109.0088 49.2008 0.0000 175.5332 105 S 4.3565 8.0692 111.7586 59.4852 63.2265 174.5674 106 R 4.5519 8.0767 119.0356 56.1451 30.8432 175.4253 107 T 4.6555 7.4591 114.9457 61.3114 70.8433 175.2579 108 S 4.3516 8.3351 120.0416 58.3737 65.2042 175.4453 109 E 4.0129 8.7188 122.7947 59.2015 29.3367 179.5620 110 K 3.8796 8.0123 119.4851 59.5458 32.3478 178.8672 111 V 3.6117 7.6473 117.8730 65.9316 31.5027 178.1361 112 K 3.9726 8.0658 118.2348 59.6859 31.9144 179.1891 113 N 4.3790 8.8078 117.0331 56.0044 38.3272 177.4567 114 K 3.9421 7.9996 120.9138 59.4568 32.2120 179.0048 115 I 3.6335 7.7166 120.0490 64.3983 37.0623 178.3930 116 L 4.0733 8.0264 119.8266 57.7719 41.3528 179.2759 117 E 3.9461 8.3398 119.2820 59.1308 29.5959 178.8423 118 L 3.3898 7.8068 119.0433 57.4772 41.6271 179.3282 119 L 3.7000 7.5746 119.0536 57.8724 41.4439 178.9407 120 Y 3.0907 7.5863 119.3463 60.4701 38.6075 178.2389 121 S 3.8372 7.9096 115.1732 61.4141 62.7656 176.5941 122 W 4.3364 7.8604 122.5792 59.5182 28.5494 178.6349 123 T 3.8521 7.4140 109.0917 64.2416 68.0839 176.4133 124 V 3.7834 6.9443 120.5019 65.3701 31.8982 177.8231 125 G 3.8402 8.1070 103.5167 45.6374 0.0000 173.6402 126 L 5.2830 8.3916 120.1801 51.2268 42.0216 175.6650 127 P 4.2941 0.0000 0.0000 65.6173 32.1058 178.5145 128 E 4.0592 8.1290 118.2520 58.9804 30.0635 176.4608 129 E 4.2756 8.0137 120.6651 54.7109 28.0041 177.3311 130 V 3.7015 7.6872 115.8108 64.2767 31.9263 178.0099 131 K 4.0055 7.8765 117.6900 59.0780 31.7193 179.3033 132 I 3.8204 7.7710 120.3441 64.3082 37.0524 178.2462 133 A 4.1108 8.0166 121.2385 55.0810 18.3022 179.1373 134 E 3.9970 8.6105 117.9178 59.3579 29.8839 178.9147 135 A 4.1241 8.5814 121.1216 55.3295 18.4662 178.9709 136 Y 4.0650 8.4375 118.2102 61.0005 38.8754 177.8658 137 Q 3.9431 8.7605 120.8958 59.5817 29.0801 178.1905 138 M 4.0245 8.1897 119.0609 58.6288 32.2910 178.2574 139 L 3.9683 7.7294 118.9490 57.4557 41.7421 179.4274 140 K 4.0262 7.9078 121.1555 58.7239 31.9061 178.7980 141 K 3.9289 8.0874 119.3021 59.4905 32.2351 178.0369 142 Q 4.2524 7.9913 115.3615 56.0451 28.9387 177.0435 143 G 3.9593 7.8730 108.7206 45.3888 0.0000 174.9096 144 I 3.7618 7.6862 120.8901 63.3321 37.6226 176.6147 145 V 4.1555 7.1108 120.1319 60.9164 32.7669 175.3341 146 K 3.9451 8.3455 126.9241 57.3444 32.1130 173.9980 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 7 P 0.00 4.35 0.00 2.04 2.04 0.00 3.64 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 1.91 2.07 0.00 8 E 8.67 3.82 0.00 1.99 1.86 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 2.31 2.43 0.00 9 T 9.09 4.19 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 1.21 0.00 0.00 10 L 8.28 3.94 0.00 1.67 1.73 0.67 0.13 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 11 E 8.23 3.98 0.00 2.07 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 2.42 2.49 0.00 12 A 7.90 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 13 R 8.23 3.89 0.00 2.22 2.19 0.00 3.35 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.82 0.00 14 I 8.61 3.52 1.98 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.81 1.04 0.00 0.00 15 N 8.26 4.36 0.00 2.76 2.85 0.00 0.00 7.07 8.30 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 16 R 7.91 4.06 0.00 1.97 1.94 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 17 A 8.24 3.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.43 4.07 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 19 N 7.67 4.47 0.00 2.83 2.90 0.00 0.00 7.22 7.58 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 20 P 0.00 4.44 0.00 2.13 2.19 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 21 L 8.70 4.43 0.00 1.73 1.76 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.10 4.51 0.00 3.06 3.13 0.00 0.00 6.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.76 4.21 0.00 1.78 1.87 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.39 7.81 24 E 7.75 4.84 0.00 2.11 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 2.24 2.39 0.00 25 L 8.48 3.80 0.00 1.38 0.70 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.79 4.65 0.00 2.68 2.38 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 27 W 8.14 4.21 0.00 3.49 3.27 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 28 A 8.20 4.08 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 29 S 8.13 4.17 0.00 3.94 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 30 I 8.02 3.62 1.86 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.54 0.96 0.00 0.00 31 N 8.96 4.62 0.00 3.01 2.95 0.00 0.00 7.03 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 32 G 8.12 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.37 4.05 0.00 3.15 3.19 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 34 C 8.06 4.08 0.00 3.08 3.01 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 35 E 8.28 3.86 0.00 2.16 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 2.31 2.48 0.00 36 Q 8.14 3.87 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 37 L 7.67 3.78 0.00 1.62 1.28 0.53 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.63 4.34 0.00 2.64 3.01 0.00 0.00 7.16 6.93 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 39 E 7.49 4.02 0.00 2.02 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 2.30 2.32 0.00 40 D 7.46 4.65 0.00 2.76 2.54 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 41 F 8.90 4.18 0.00 2.91 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 42 E 8.17 4.27 0.00 2.03 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 2.48 2.29 0.00 43 G 7.85 3.60 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 0.00 0.00 0.00 44 P 0.00 4.35 0.00 2.06 2.17 0.00 3.56 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 45 P 0.00 4.32 0.00 2.09 2.03 0.00 3.61 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.17 0.00 46 L 7.63 3.97 0.00 1.79 1.77 0.91 0.98 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 47 A 8.37 4.22 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 48 T 8.07 3.69 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 49 R 7.92 4.03 0.00 2.04 2.07 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 50 L 8.19 4.11 0.00 2.05 1.83 1.07 0.50 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 51 L 8.50 4.00 0.00 2.07 1.94 1.19 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.41 4.08 1.51 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 0.00 0.00 53 H 8.09 4.30 0.00 3.21 3.48 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.93 3.91 0.00 1.88 1.76 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.68 1.54 7.81 55 I 7.99 3.83 2.02 0.00 0.00 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 1.56 0.67 0.92 0.00 0.00 56 Q 7.26 4.39 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 57 S 7.26 4.22 0.00 3.83 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 58 P 0.00 4.29 0.00 2.09 2.10 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 59 Q 8.04 4.32 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 60 E 8.88 3.97 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 2.49 2.44 0.00 61 W 8.29 4.80 0.00 3.30 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 62 E 8.43 3.88 0.00 2.03 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 2.29 2.28 0.00 63 A 7.86 4.08 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 64 I 8.33 3.67 2.11 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 1.80 0.99 1.12 0.00 0.00 65 Q 7.63 3.59 0.00 1.54 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 66 A 7.69 3.81 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 67 L 8.10 4.04 0.00 1.88 1.77 0.94 0.67 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 68 T 7.80 3.98 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 1.10 0.00 0.00 69 V 7.73 3.49 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 0.62 0.00 0.00 0.71 0.00 0.00 70 L 8.13 4.15 0.00 1.99 2.06 1.06 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.81 4.31 0.00 2.25 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 0.00 2.47 2.52 0.00 72 T 8.36 3.99 4.53 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 1.45 0.00 0.00 73 C 8.61 4.43 0.00 2.71 2.47 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 74 M 8.23 4.26 0.00 1.94 2.59 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.94 0.00 75 K 8.02 4.27 0.00 1.95 1.94 0.00 1.80 0.00 0.00 1.83 0.00 0.00 3.17 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.60 1.79 7.81 76 S 8.30 4.47 0.00 4.06 4.13 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 77 C 8.08 4.39 0.00 3.10 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 G 7.88 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.84 3.75 0.00 1.81 1.81 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.53 7.81 80 R 7.93 3.82 0.00 1.84 1.88 0.00 2.98 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 81 F 8.00 4.12 0.00 2.95 2.92 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 82 H 8.20 3.88 0.00 3.26 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.18 4.51 0.00 2.69 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 84 E 7.39 3.93 0.00 1.74 1.72 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 2.35 2.29 0.00 85 V 7.22 3.31 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 0.42 0.00 0.00 -0.45 0.00 0.00 86 G 7.37 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 0.00 0.00 0.00 87 K 6.97 4.44 0.00 1.81 1.63 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.22 1.51 7.81 88 F 8.12 4.40 0.00 3.11 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 89 R 8.19 4.02 0.00 1.85 2.03 0.00 3.24 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 90 F 7.92 4.57 0.00 3.11 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 91 L 8.30 3.99 0.00 1.93 1.87 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.65 4.26 0.00 2.74 2.77 0.00 0.00 6.98 7.55 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 93 E 7.99 3.90 0.00 1.74 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 2.40 2.45 0.00 94 L 7.36 3.96 0.00 1.77 1.68 1.17 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.89 3.72 1.91 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 1.54 0.83 0.86 0.00 0.00 96 K 7.92 3.70 0.00 1.85 1.77 0.00 1.52 0.00 0.00 1.45 0.00 0.00 2.69 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.80 1.30 7.81 97 V 7.28 3.59 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 1.04 0.00 0.00 0.92 0.00 0.00 98 V 7.47 3.96 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 0.81 0.00 0.00 1.04 0.00 0.00 99 S 7.89 4.52 0.00 4.03 4.13 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 0.00 100 P 0.00 4.25 0.00 2.05 2.09 0.00 3.74 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 2.02 2.11 0.00 101 K 7.60 4.02 0.00 1.21 1.29 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.32 7.81 102 Y 8.49 4.39 0.00 3.11 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 0.00 103 L 5.97 4.49 0.00 1.82 1.72 0.93 0.93 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 0.00 104 G 8.43 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 0.00 105 S 8.07 4.36 0.00 3.99 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 0.00 106 R 8.08 4.55 0.00 1.77 1.96 0.00 3.18 0.00 0.00 3.35 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 107 T 7.46 4.66 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 1.22 0.00 0.00 108 S 8.34 4.35 0.00 4.06 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 0.00 109 E 8.72 4.01 0.00 2.04 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 2.40 2.37 0.00 110 K 8.01 3.88 0.00 1.84 1.97 0.00 1.75 0.00 0.00 1.93 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.53 7.81 111 V 7.65 3.61 2.22 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 0.99 0.00 0.00 0.97 0.00 0.00 112 K 8.07 3.97 0.00 1.87 1.85 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.24 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.65 7.81 113 N 8.81 4.38 0.00 2.80 2.87 0.00 0.00 6.70 7.62 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 0.00 114 K 8.00 3.94 0.00 2.04 1.99 0.00 1.53 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.52 7.81 115 I 7.72 3.63 2.02 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 1.54 0.70 0.91 0.00 0.00 116 L 8.03 4.07 0.00 1.86 1.82 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.34 3.95 0.00 2.09 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 2.28 2.35 0.00 118 L 7.81 3.39 0.00 1.35 0.31 0.94 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.57 3.70 0.00 1.88 1.83 1.07 1.11 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 0.00 120 Y 7.59 3.09 0.00 2.75 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 0.00 121 S 7.91 3.84 0.00 3.99 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 W 7.86 4.34 0.00 3.52 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 0.00 123 T 7.41 3.85 4.15 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 1.10 0.00 0.00 124 V 6.94 3.78 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 0.75 0.00 0.00 0.34 0.00 0.00 125 G 8.11 3.84 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 0.00 0.00 0.00 126 L 8.39 5.28 0.00 1.73 1.45 0.47 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.29 0.00 2.16 2.18 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 128 E 8.13 4.06 0.00 2.06 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 2.38 2.37 0.00 129 E 8.01 4.28 0.00 2.04 1.79 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 2.20 2.25 0.00 130 V 7.69 3.70 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 0.83 0.00 0.00 0.91 0.00 0.00 131 K 7.88 4.01 0.00 1.59 0.85 0.00 1.36 0.00 0.00 0.61 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.08 1.27 7.81 132 I 7.77 3.82 2.06 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 1.51 0.57 1.20 0.00 0.00 133 A 8.02 4.11 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.61 4.00 0.00 2.36 2.41 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 2.42 2.43 0.00 135 A 8.58 4.12 1.62 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 0.00 0.00 136 Y 8.44 4.07 0.00 3.25 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 0.00 137 Q 8.76 3.94 0.00 2.30 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 138 M 8.19 4.02 0.00 2.28 2.04 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 2.58 2.67 0.00 139 L 7.73 3.97 0.00 1.72 1.59 0.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.91 4.03 0.00 1.46 1.82 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.18 7.81 141 K 8.09 3.93 0.00 1.87 1.98 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.51 7.81 142 Q 7.99 4.25 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.41 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 143 G 7.87 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 0.00 144 I 7.69 3.76 1.94 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 1.16 0.85 0.90 0.00 0.00 145 V 7.11 4.16 1.83 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 0.77 0.00 0.00 0.65 0.00 0.00 146 K 8.35 3.95 0.00 1.63 1.55 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.15 1.30 7.81