NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 C 5.0489 8.2976 118.1076 56.4373 42.4445 172.5573 4 S 4.1267 7.7649 111.4560 55.0427 66.0667 167.9498 5 V 4.4092 8.8156 120.7745 60.2698 35.3233 174.6507 6 D 5.1227 8.5515 123.0327 52.9600 42.4768 175.8431 7 I 4.7944 8.7485 123.8248 59.5635 41.2854 174.3073 8 Q 5.1911 9.6275 125.2631 54.1285 31.8394 174.6591 9 G 4.4054 9.1115 110.7609 44.4936 0.0000 172.4739 10 N 5.7735 8.3458 122.4977 50.2364 40.2589 175.1780 11 D 4.5639 8.8125 116.8406 56.6186 40.9671 177.6882 12 Q 4.4833 8.2043 117.6709 55.2135 28.7732 175.2994 13 M 3.0274 7.6403 115.5855 56.7922 30.1851 176.8448 14 Q 4.5832 7.7777 115.4224 53.9588 32.2205 175.6868 15 F 5.8008 8.7846 120.0059 56.8646 39.9156 174.8408 16 N 4.9594 8.8561 119.9160 52.8874 37.4351 174.5960 17 T 4.8111 7.8199 111.4088 61.3973 70.5473 172.5835 18 N 5.4872 8.9867 122.1837 52.3205 39.3788 173.2149 19 A 5.2040 8.3143 121.2102 51.5127 22.1156 176.2002 20 I 4.4760 9.5296 124.4592 60.2446 39.6584 175.0358 21 T 4.8534 8.5379 123.3011 61.8242 70.6642 173.7580 22 V 3.8141 8.6584 127.7419 60.7640 33.1977 174.8653 23 D 4.7577 8.8355 130.5727 54.7610 41.6647 177.7095 24 K 4.0160 9.0293 128.8370 57.6052 31.7926 175.8852 25 S 4.3513 8.2374 111.4945 60.5707 63.3210 174.2181 26 C 4.3708 7.9481 119.8978 57.0982 40.5120 173.4900 27 K 4.1342 8.8164 126.1072 58.8952 32.8640 176.3462 28 Q 5.0674 7.9221 115.7832 53.8701 32.5654 174.7749 29 F 4.8158 8.3840 122.6342 56.6431 43.1909 173.5547 30 T 4.7579 7.1870 121.2572 61.5219 71.9281 172.8815 31 V 4.0854 8.3969 126.4430 61.0908 33.7250 174.1083 32 N 4.9427 8.6519 126.4516 51.6299 39.9410 173.3784 33 L 5.0308 8.8017 127.7877 53.9675 44.0861 175.6045 34 S 5.2381 9.2395 119.9275 57.3167 67.6081 172.8048 35 H 5.9683 8.4243 117.7829 53.0353 29.9911 170.5221 36 P 4.6033 0.0000 0.0000 62.8337 33.0144 174.6570 37 G 4.0927 8.0032 105.5429 45.3364 0.0000 173.2726 38 N 5.0450 9.2773 116.9836 52.8667 39.4043 175.0170 39 L 4.8131 7.6924 115.3792 51.8449 45.4256 175.3001 40 P 4.8374 0.0000 0.0000 61.6527 32.1351 177.0704 41 K 3.8851 8.6095 119.7215 59.4067 32.0937 177.4889 42 N 4.8635 8.1174 113.3528 53.0185 37.7879 174.6994 43 V 4.2218 7.7424 116.8238 64.5891 33.8046 175.6250 44 M 4.7911 8.1183 116.7163 53.6667 31.9183 174.0403 45 G 4.2547 7.7566 107.3491 44.8050 0.0000 171.3822 46 H 5.4257 9.2327 119.2147 53.7685 32.8780 172.4325 47 N 5.5682 8.8535 117.9937 50.8520 41.5899 172.1959 48 W 5.2892 9.2601 127.7146 55.7811 33.9390 174.2411 49 V 4.4498 7.6847 126.0432 60.7480 34.7519 173.5277 50 L 4.7861 8.0417 128.9684 53.1135 44.8669 175.2537 51 S 5.1992 8.8609 119.5289 56.8879 67.1486 173.5119 52 T 4.3008 8.6513 109.8778 61.4336 68.8526 174.6052 53 A 4.0725 8.8848 125.1812 55.5452 18.0519 180.2596 54 A 3.9206 7.8617 117.7500 54.8687 18.8688 178.5987 55 D 4.5570 7.8242 115.4915 55.3322 41.1760 178.3442 56 M 3.7720 7.5331 119.5746 58.6904 32.1044 177.7069 57 Q 3.8611 7.9607 119.0986 59.1854 29.1764 178.4767 58 G 3.5215 7.9078 106.1956 47.6020 0.0000 175.6757 59 V 3.6171 7.8353 120.7008 65.7023 31.6028 178.2631 60 V 3.5550 7.8123 118.0150 66.3209 31.3921 177.8724 61 T 3.8167 8.0060 115.6210 67.0826 68.1493 176.3824 62 D 4.5251 8.1622 119.2519 56.9372 41.1826 178.9420 63 G 4.0829 8.4071 108.1362 47.6649 0.0000 175.5129 64 M 4.2342 8.6179 121.9647 58.2885 31.8009 178.8876 65 A 4.0615 7.8693 119.3592 55.1319 18.7477 179.5822 66 S 4.2349 8.0100 113.4607 58.9278 62.9913 175.6511 67 G 4.1664 7.7879 107.4293 44.4134 0.0000 173.8764 68 L 2.8524 8.0036 119.5349 57.9185 41.6699 178.4877 69 D 4.3869 7.8607 114.4904 55.8397 41.5971 176.2549 70 K 4.4471 7.5532 117.2528 56.1709 32.5447 175.7163 71 D 4.5491 8.4551 116.6135 55.6548 39.1517 173.1141 72 Y 3.9447 7.4805 112.3097 59.1059 36.2034 170.5074 73 L 4.9996 7.6751 116.5420 52.3327 45.6054 176.9891 74 K 4.2744 8.5008 123.3722 55.0680 32.7355 174.3176 75 P 4.1692 0.0000 0.0000 64.4323 31.6071 175.2824 76 D 4.3228 8.8889 120.4445 54.9198 39.8959 172.6583 77 D 4.3843 7.7218 117.5321 53.7660 41.0367 177.1134 78 S 4.3100 8.6679 122.1069 60.6631 63.1934 175.4252 79 R 4.0618 8.3131 119.5383 57.4936 30.2077 176.5768 80 V 4.0592 7.4405 118.0677 61.8711 31.1706 175.5306 81 I 3.9763 8.5123 129.7182 64.2474 37.5255 176.6121 82 A 4.8179 7.5844 120.9476 51.4344 22.3583 174.7838 83 H 5.5461 8.5001 113.9083 54.8733 31.4107 173.3127 84 T 4.6525 8.8395 111.7868 60.4357 70.6693 173.9745 85 K 4.4633 9.1281 122.5739 56.2060 33.9831 176.2345 86 L 4.7221 8.7088 123.5485 54.7959 42.6394 175.9271 87 I 4.7971 9.3276 119.7952 59.2721 41.1769 175.4290 88 G 4.5440 9.5972 112.5910 44.3146 0.0000 172.9525 89 S 4.3131 8.2178 114.9151 59.4928 63.1036 175.2479 90 G 3.8724 8.6319 110.4943 45.9443 0.0000 173.2441 91 E 4.6405 7.7513 119.0241 54.8741 31.4991 174.9786 92 K 4.9481 8.0286 117.7299 56.2329 35.6843 174.7721 93 D 4.7934 9.0584 119.8545 53.3523 45.0514 174.0424 94 S 5.3746 8.6539 119.5832 56.6273 66.4518 173.7277 95 V 4.5710 8.4790 121.6691 60.2465 34.5707 174.4297 96 T 5.1938 8.6134 119.3436 61.8025 71.2768 173.2039 97 F 5.1452 8.4630 119.2316 54.9957 42.3152 173.5923 98 D 4.8573 8.7818 119.8223 53.8825 41.5041 178.1321 99 V 3.6722 8.7479 124.8619 65.6158 31.7417 177.9845 100 S 4.3741 8.1841 113.4261 60.8217 62.6072 175.4455 101 K 4.1960 8.1778 119.5140 57.7885 32.1115 176.8046 102 L 4.6030 7.9451 119.2174 52.7227 43.4889 175.5245 103 K 4.6555 9.1205 125.5434 55.1004 33.8736 178.8741 104 E 4.1548 8.6397 123.6377 55.4929 28.8066 174.5813 *106 E 4.0531 8.1144 122.1622 57.3315 31.3527 175.2381 *107 Q 4.5066 7.9809 122.9811 54.7944 29.7346 174.7704 108 Y 5.2598 8.0660 121.3281 55.5016 41.3568 174.8721 109 M 5.4239 9.2215 122.2102 53.5103 35.7783 174.7841 110 F 4.9911 8.1906 117.3980 55.3231 41.4442 174.0833 111 F 5.2854 7.5467 112.7138 56.6698 41.7343 172.0850 112 C 5.4533 9.1604 121.2584 57.6005 30.7209 174.4893 113 S 4.3751 9.9079 122.8311 60.9934 62.7545 174.8815 114 P 4.0015 0.0000 0.0000 64.3153 31.4254 176.3649 115 H 4.8599 7.4435 113.5798 55.3521 29.7364 175.4109 116 Q 4.1543 8.2763 123.9164 59.0902 28.9384 178.7607 117 G 3.5524 7.9841 105.1392 47.5579 0.0000 173.7055 118 A 4.3384 7.8721 121.1641 52.0219 18.9298 177.6138 119 G 3.9283 8.1213 105.2409 45.9894 0.0000 175.0047 120 M 4.4784 7.9005 122.0866 53.5843 30.7270 174.8323 121 K 4.9262 8.0151 120.4805 56.1214 36.2013 175.1238 122 G 3.6541 7.6486 107.0793 46.0833 0.0000 172.1382 123 T 5.1892 8.3915 109.6293 60.0773 70.3024 173.5388 124 L 5.4918 8.8976 123.8369 54.0067 46.0558 175.2363 125 T 4.9670 9.0044 121.5564 61.8197 73.2096 172.8068 126 L 4.7720 8.9113 130.6776 54.9134 42.9017 177.0921 127 K 4.3411 9.1362 130.1271 55.3085 32.7970 172.6903 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 C 8.30 5.05 0.00 2.81 3.32 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 4 S 7.76 4.13 0.00 3.58 3.42 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 5 V 8.82 4.41 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 0.53 0.00 0.00 0.86 0.00 0.00 6 D 8.55 5.12 0.00 2.51 2.57 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 7 I 8.75 4.79 1.65 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 1.02 0.49 0.83 0.00 0.00 8 Q 9.63 5.19 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 9 G 9.11 4.41 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 0.00 10 N 8.35 5.77 0.00 2.88 2.99 0.00 0.00 6.87 7.37 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 11 D 8.81 4.56 0.00 2.76 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 12 Q 8.20 4.48 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 13 M 7.64 3.03 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.14 0.00 14 Q 7.78 4.58 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.95 7.05 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 15 F 8.78 5.80 0.00 3.34 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 16 N 8.86 4.96 0.00 2.89 2.97 0.00 0.00 5.78 7.71 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 17 T 7.82 4.81 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 18 N 8.99 5.49 0.00 2.89 3.08 0.00 0.00 5.75 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 19 A 8.31 5.20 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 20 I 9.53 4.48 1.98 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.64 0.89 0.00 0.00 21 T 8.54 4.85 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 1.21 0.00 0.00 22 V 8.66 3.81 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 0.57 0.00 0.00 -0.05 0.00 0.00 23 D 8.84 4.76 0.00 2.73 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 24 K 9.03 4.02 0.00 1.76 1.73 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.27 7.81 25 S 8.24 4.35 0.00 3.99 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 26 C 7.95 4.37 0.00 3.11 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 27 K 8.82 4.13 0.00 1.82 1.76 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.46 7.81 28 Q 7.92 5.07 0.00 1.81 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.48 0.00 0.00 0.00 0.00 0.00 2.18 2.52 0.00 29 F 8.38 4.82 0.00 2.67 1.77 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 30 T 7.19 4.76 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 1.08 0.00 0.00 31 V 8.40 4.09 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 -0.17 0.00 0.00 32 N 8.65 4.94 0.00 2.66 2.64 0.00 0.00 6.16 7.48 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 33 L 8.80 5.03 0.00 1.74 1.69 1.23 0.81 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 34 S 9.24 5.24 0.00 3.88 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 0.00 35 H 8.42 5.97 0.00 3.25 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.60 0.00 2.16 2.00 0.00 3.88 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 2.16 2.14 0.00 37 G 8.00 4.09 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 0.00 0.00 0.00 38 N 9.28 5.04 0.00 2.57 2.73 0.00 0.00 6.94 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 39 L 7.69 4.81 0.00 1.74 1.49 0.93 0.96 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 40 P 0.00 4.84 0.00 2.22 2.18 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.95 0.00 41 K 8.61 3.89 0.00 1.94 1.88 0.00 1.87 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.51 7.81 42 N 8.12 4.86 0.00 2.90 2.93 0.00 0.00 5.73 7.68 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 43 V 7.74 4.22 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 0.84 0.00 0.00 0.95 0.00 0.00 44 M 8.12 4.79 0.00 1.95 1.90 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 2.43 2.52 0.00 45 G 7.76 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 0.00 0.00 0.00 0.00 46 H 9.23 5.43 0.00 3.14 3.21 0.00 5.56 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.85 5.57 0.00 2.97 3.15 0.00 0.00 5.57 8.88 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 48 W 9.26 5.29 0.00 3.44 3.05 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 49 V 7.68 4.45 1.10 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 0.57 0.00 0.00 0.91 0.00 0.00 50 L 8.04 4.79 0.00 0.89 1.02 0.89 -0.06 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 51 S 8.86 5.20 0.00 4.06 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 52 T 8.65 4.30 4.14 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 0.00 0.00 1.23 0.00 0.00 53 A 8.88 4.07 1.29 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 54 A 7.86 3.92 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 55 D 7.82 4.56 0.00 2.74 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 56 M 7.53 3.77 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 2.00 0.00 57 Q 7.96 3.86 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 58 G 7.91 3.52 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 0.00 59 V 7.84 3.62 2.33 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 1.31 0.00 0.00 1.03 0.00 0.00 60 V 7.81 3.55 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 0.81 0.00 0.00 0.40 0.00 0.00 61 T 8.01 3.82 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 1.20 0.00 0.00 62 D 8.16 4.53 0.00 2.73 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 63 G 8.41 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 64 M 8.62 4.23 0.00 2.00 2.36 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 65 A 7.87 4.06 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 66 S 8.01 4.23 0.00 4.05 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.79 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 0.00 0.00 0.00 0.00 68 L 8.00 2.85 0.00 1.54 1.53 0.92 1.06 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 69 D 7.86 4.39 0.00 2.61 2.61 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 70 K 7.55 4.45 0.00 1.72 1.80 0.00 1.87 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.48 7.81 71 D 8.46 4.55 0.00 2.79 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 72 Y 7.48 3.94 0.00 3.24 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.68 5.00 0.00 1.59 1.48 0.75 0.66 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 74 K 8.50 4.27 0.00 1.80 1.84 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.43 7.81 75 P 0.00 4.17 0.00 2.08 2.00 0.00 3.89 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 76 D 8.89 4.32 0.00 2.78 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 77 D 7.72 4.38 0.00 2.93 2.57 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 78 S 8.67 4.31 0.00 4.03 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 79 R 8.31 4.06 0.00 1.99 2.06 0.00 3.17 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.58 0.00 80 V 7.44 4.06 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 0.78 0.00 0.00 0.95 0.00 0.00 81 I 8.51 3.98 1.61 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 1.14 0.63 0.63 0.00 0.00 82 A 7.58 4.82 1.10 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 83 H 8.50 5.55 0.00 3.14 3.23 0.00 5.72 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.84 4.65 4.49 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 0.00 0.00 0.00 1.33 0.00 0.00 85 K 9.13 4.46 0.00 1.97 1.94 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.68 1.45 7.81 86 L 8.71 4.72 0.00 1.79 1.69 1.19 1.23 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 87 I 9.33 4.80 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 0.99 0.00 0.00 88 G 9.60 4.54 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 0.00 89 S 8.22 4.31 0.00 4.03 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 90 G 8.63 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 91 E 7.75 4.64 0.00 2.14 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 2.28 2.46 0.00 92 K 8.03 4.95 0.00 1.84 1.74 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.43 7.81 93 D 9.06 4.79 0.00 2.82 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 94 S 8.65 5.37 0.00 3.68 3.62 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 95 V 8.48 4.57 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 1.03 0.00 0.00 1.10 0.00 0.00 96 T 8.61 5.19 4.20 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 0.00 0.00 1.12 0.00 0.00 97 F 8.46 5.15 0.00 3.08 3.14 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 0.00 0.00 0.00 98 D 8.78 4.86 0.00 2.82 2.68 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 99 V 8.75 3.67 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.84 0.00 0.00 100 S 8.18 4.37 0.00 4.04 4.03 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 0.00 101 K 8.18 4.20 0.00 1.95 1.92 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.66 7.81 102 L 7.95 4.60 0.00 1.67 1.49 0.87 -0.08 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 0.00 103 K 9.12 4.66 0.00 2.02 1.81 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.22 7.81 104 E 8.64 4.15 0.00 2.03 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 2.23 1.88 0.00 *106 E 8.11 4.05 0.00 1.82 1.61 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 1.54 1.47 0.00 *107 Q 7.98 4.51 0.00 1.78 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.63 0.00 0.00 0.00 0.00 0.00 2.31 1.95 0.00 108 Y 8.07 5.26 0.00 3.16 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 0.00 109 M 9.22 5.42 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 110 F 8.19 4.99 0.00 1.81 2.69 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 0.00 0.00 0.00 0.00 111 F 7.55 5.29 0.00 3.15 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 0.00 112 C 9.16 5.45 0.00 3.16 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 0.00 113 S 9.91 4.38 0.00 4.14 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 0.00 114 P 0.00 4.00 0.00 1.48 0.79 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 115 H 7.44 4.86 0.00 3.12 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.28 4.15 0.00 2.31 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.26 1.97 0.00 117 G 7.98 3.55 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 0.00 0.00 0.00 118 A 7.87 4.34 1.28 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 0.00 0.00 119 G 8.12 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 120 M 7.90 4.48 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.27 0.00 121 K 8.02 4.93 0.00 1.84 1.76 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.34 7.81 122 G 7.65 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.39 5.19 4.31 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 1.20 0.00 0.00 124 L 8.90 5.49 0.00 2.07 1.70 1.18 0.58 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 0.00 125 T 9.00 4.97 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 1.27 0.00 0.00 126 L 8.91 4.77 0.00 1.70 1.65 0.95 0.52 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 0.00 127 K 9.14 4.34 0.00 1.39 1.58 0.00 1.89 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.25 1.22 7.81 * Residues marked with a * may have inaccurate shift predictions.