NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2879 0.0000 0.0000 61.8048 32.6157 174.9122 3 K 3.6693 8.5411 117.5771 55.9300 32.2721 175.8215 4 K 4.0380 8.8820 127.8416 57.0074 33.8874 175.2853 5 V 5.0429 8.2556 124.3287 61.1147 34.7296 174.4148 6 L 4.8470 8.6249 127.0089 52.9195 45.0966 175.6607 7 T 4.4708 8.6796 115.0231 61.3737 69.6088 174.2086 8 G 4.2308 9.4268 112.6561 45.0905 0.0000 171.9404 9 V 4.7488 8.1819 114.9751 59.5612 33.3455 176.3096 10 V 4.3057 8.3538 124.5192 63.5832 32.5620 177.0916 11 V 4.2389 8.1967 120.3487 62.3733 35.2456 174.6227 12 S 4.4293 7.8948 116.3418 58.0419 63.7077 173.4351 13 D 4.8948 8.3749 124.5434 52.9156 39.5762 178.2807 14 K 4.3069 7.9888 116.7868 57.8005 32.0835 176.3823 15 M 4.6792 7.3168 118.3465 53.2906 34.4150 175.4230 16 Q 4.1891 8.5115 119.8951 56.4374 29.5528 176.1946 17 K 4.1312 8.6606 122.3505 57.0816 30.4700 174.6846 18 T 5.1861 7.6381 111.4395 62.9697 72.8204 173.8677 19 V 4.7003 8.4713 116.4429 60.4868 36.7912 174.2199 20 T 4.6345 8.8154 122.3729 63.4153 70.1228 173.9600 21 V 4.6926 8.8415 125.0310 61.0887 35.0078 173.8830 22 L 4.9207 8.7479 130.7309 54.4278 43.2892 175.6373 23 V 4.7585 8.4582 118.2573 59.6853 35.3309 174.1542 24 E 5.1572 8.9585 125.1486 54.7514 31.0314 175.5660 25 R 4.9787 8.8890 120.7143 54.3167 32.9012 174.4732 26 Q 5.2012 8.7123 117.8698 53.7131 31.8114 174.1255 27 F 4.9094 7.8537 113.1747 55.3157 40.9290 171.3332 28 P 4.8138 0.0000 0.0000 62.7999 32.1106 175.8785 29 H 4.3425 9.1434 124.6978 55.3827 30.8042 174.3326 30 P 4.4732 0.0000 0.0000 63.9880 30.8399 175.7649 31 L 4.4960 7.9438 119.6906 56.9563 47.4365 176.1361 32 Y 4.4068 7.7074 113.8725 57.5127 38.2351 177.5511 33 G 4.0169 8.3025 106.7642 45.7765 0.0000 174.0915 34 K 4.0355 7.7962 121.5147 56.5483 33.6428 176.4633 35 V 4.3434 8.2958 125.7573 62.2816 30.6156 175.3969 36 I 4.1466 7.9901 120.9117 59.6885 39.9039 175.1190 37 K 4.7259 8.3422 123.3861 55.2516 34.6192 174.7806 38 R 4.9833 8.0464 127.5798 55.4508 34.3070 173.8593 39 S 4.8353 8.0457 112.0728 60.3478 65.5261 174.2950 40 K 4.3586 8.1100 117.8883 56.0982 35.2203 174.1032 41 K 4.9629 8.4055 123.2142 54.9500 34.1271 175.4181 42 Y 4.7450 8.6420 120.8473 56.1319 42.0926 174.3080 43 L 5.0909 8.6760 121.4322 53.3689 43.4064 175.7532 44 A 5.0639 8.9042 125.9225 50.2993 21.8359 174.7557 45 H 4.8127 9.0104 121.4238 55.8644 31.3281 174.1808 46 D 5.0980 8.5562 125.5974 51.6185 40.9283 173.7908 47 P 4.3428 0.0000 0.0000 64.3539 31.7038 178.1017 48 E 4.1865 8.3242 118.0095 56.2564 30.1897 177.0293 49 E 4.3802 8.2824 115.9608 56.8853 27.6010 175.7065 50 K 3.8962 7.5318 120.0171 59.3617 32.8123 176.7951 51 Y 4.2922 7.9639 117.9960 56.4554 36.7006 175.3869 52 K 4.6044 8.0837 125.2215 55.4071 34.8875 176.6376 53 L 3.9982 8.2317 119.9000 56.5501 42.4442 178.5557 54 G 4.0089 8.1576 112.5374 45.7582 0.0000 173.6427 55 D 4.6231 7.6305 120.7890 54.4314 41.9611 176.0399 56 V 4.1437 8.6054 125.0151 63.0121 32.6354 175.3790 57 V 4.9734 9.2006 120.3934 60.0603 36.8644 173.9205 58 E 5.0623 8.5105 120.9342 55.3182 31.9179 175.4669 59 I 5.1443 8.4364 121.9026 59.7474 41.8658 174.1250 60 I 5.2310 8.3876 122.4305 59.0216 41.7770 173.8695 61 E 3.1463 8.8320 130.2226 56.6438 29.8475 175.9484 62 S 4.6007 7.6748 121.5393 56.4192 67.7683 173.6387 63 R 3.7631 8.5742 120.1885 56.1735 29.9725 174.0426 64 P 4.2236 0.0000 0.0000 63.3631 31.6474 176.1777 65 I 4.0130 8.4132 125.2556 63.2470 37.6187 175.7547 66 S 4.5487 7.4516 110.5139 56.7877 65.5452 172.6805 67 K 3.8605 8.7418 120.3363 59.6234 32.2233 177.4885 68 R 4.4927 7.1127 117.0955 52.8283 29.4799 175.9282 69 K 4.4127 7.0569 113.9695 56.0936 34.2700 174.4508 70 R 4.7217 8.2383 130.1954 55.2703 31.0400 174.7085 71 F 5.2878 8.1774 115.2985 56.4548 44.4514 174.2797 72 R 5.1114 8.5390 117.3932 54.5835 34.7450 175.2571 73 V 3.8097 7.9099 119.9697 63.1667 31.9922 174.4447 74 L 4.7178 7.7965 124.2942 55.0909 43.6962 176.4362 75 R 4.9892 7.2162 111.7124 55.7579 31.9111 173.2240 76 L 4.4809 9.0847 123.0034 55.6748 42.5698 176.1935 77 V 4.4509 8.5592 122.7930 64.0930 34.0516 175.6455 78 E 4.4695 7.6866 114.3035 55.9521 31.7035 175.9797 79 S 4.1547 9.1566 117.6882 60.3909 63.1718 174.1297 80 G 3.7669 7.7126 118.7301 46.7742 0.0000 173.9952 81 R 4.8486 7.8710 128.4657 54.1132 31.4596 177.8744 82 M 4.2565 8.3398 120.3979 58.0816 32.1724 177.5101 83 D 4.3625 8.1314 119.3380 56.6272 38.9033 178.6793 84 L 4.1170 7.6394 118.9050 57.4316 41.5511 179.4608 85 V 3.6490 7.7538 117.7773 65.8970 31.3013 177.6257 86 E 3.9641 8.3806 118.5690 59.6347 29.2633 179.2677 87 K 3.6267 7.7761 118.3320 59.8344 31.9463 178.7583 88 Y 3.9775 7.7121 118.7760 60.7366 38.9632 177.6776 89 L 4.0153 8.4272 120.2559 57.7384 41.5241 179.6532 90 I 3.6709 8.5542 120.7659 64.2430 36.8044 178.3530 91 R 3.5639 7.2680 118.6419 59.1958 30.1351 178.6017 92 R 3.6616 7.2500 118.0440 59.1994 30.2500 178.9473 93 Q 4.0009 7.7146 117.2542 59.0451 28.6111 178.7625 94 N 4.4724 7.7489 117.5971 56.1724 38.8637 177.0206 95 Y 4.4749 7.4436 117.9455 61.1561 37.6626 178.3883 96 Q 3.9268 7.7683 118.8282 57.9679 29.1893 176.9820 97 S 4.8527 7.7529 114.5440 58.5238 64.6253 174.9519 98 L 4.6530 7.8479 123.0872 56.7650 44.5200 178.1948 99 S 4.4911 7.2422 111.5826 57.6883 64.1661 174.3392 100 K 4.1773 8.4839 119.2703 57.1617 32.4788 175.7813 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 2 P 0.00 4.29 0.00 2.18 2.16 0.00 3.74 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 1.88 1.99 0.00 3 K 8.54 3.67 0.00 1.72 1.92 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.47 7.81 4 K 8.88 4.04 0.00 1.87 1.76 0.00 1.46 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.47 7.81 5 V 8.26 5.04 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 0.93 0.00 0.00 0.97 0.00 0.00 6 L 8.62 4.85 0.00 1.40 1.37 0.21 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.68 4.47 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 1.20 0.00 0.00 8 G 9.43 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 0.00 0.00 0.00 9 V 8.18 4.75 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 0.65 0.00 0.00 0.96 0.00 0.00 10 V 8.35 4.31 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 1.00 0.00 0.00 1.05 0.00 0.00 11 V 8.20 4.24 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 0.19 0.00 0.00 0.13 0.00 0.00 12 S 7.89 4.43 0.00 3.84 3.69 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 13 D 8.37 4.89 0.00 2.87 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 14 K 7.99 4.31 0.00 1.76 1.90 0.00 1.50 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.53 7.81 15 M 7.32 4.68 0.00 2.00 1.97 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 2.55 2.49 0.00 16 Q 8.51 4.19 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 17 K 8.66 4.13 0.00 1.96 1.82 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.40 7.81 18 T 7.64 5.19 4.27 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 1.28 0.00 0.00 19 V 8.47 4.70 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 0.78 0.00 0.00 0.96 0.00 0.00 20 T 8.82 4.63 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 1.19 0.00 0.00 21 V 8.84 4.69 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 0.93 0.00 0.00 0.87 0.00 0.00 22 L 8.75 4.92 0.00 1.68 1.44 1.03 0.87 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 23 V 8.46 4.76 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 0.85 0.00 0.00 1.13 0.00 0.00 24 E 8.96 5.16 0.00 1.87 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 2.28 2.32 0.00 25 R 8.89 4.98 0.00 1.97 2.06 0.00 2.86 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 26 Q 8.71 5.20 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 27 F 7.85 4.91 0.00 3.14 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 28 P 0.00 4.81 0.00 2.05 2.19 0.00 3.90 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 2.10 2.15 0.00 29 H 9.14 4.34 0.00 3.34 3.25 0.00 5.59 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.47 0.00 2.19 2.15 0.00 3.28 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.93 0.00 31 L 7.94 4.50 0.00 1.36 1.31 0.67 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.71 4.41 0.00 3.03 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 33 G 8.30 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 34 K 7.80 4.04 0.00 1.89 1.71 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.38 7.81 35 V 8.30 4.34 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 0.83 0.00 0.00 0.93 0.00 0.00 36 I 7.99 4.15 1.70 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.10 0.85 0.00 0.00 37 K 8.34 4.73 0.00 1.70 1.69 0.00 1.72 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.45 7.81 38 R 8.05 4.98 0.00 1.89 1.90 0.00 3.24 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 39 S 8.05 4.84 0.00 3.98 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.11 4.36 0.00 1.74 1.50 0.00 0.61 0.00 0.00 1.35 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.92 1.21 7.81 41 K 8.41 4.96 0.00 1.59 1.63 0.00 1.70 0.00 0.00 1.90 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.49 7.81 42 Y 8.64 4.75 0.00 2.67 2.50 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 43 L 8.68 5.09 0.00 1.71 1.66 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.90 5.06 1.20 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 0.00 0.00 0.00 45 H 9.01 4.81 0.00 3.30 3.23 0.00 5.73 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.56 5.10 0.00 2.78 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.34 0.00 2.23 2.20 0.00 3.78 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 48 E 8.32 4.19 0.00 2.06 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 2.36 2.35 0.00 49 E 8.28 4.38 0.00 2.15 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 2.25 2.24 0.00 50 K 7.53 3.90 0.00 1.53 1.79 0.00 1.62 0.00 0.00 1.47 0.00 0.00 2.32 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 0.30 7.81 51 Y 7.96 4.29 0.00 3.23 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 52 K 8.08 4.60 0.00 1.87 1.86 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.60 1.37 7.81 53 L 8.23 4.00 0.00 1.93 1.58 0.90 1.03 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 54 G 8.16 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 55 D 7.63 4.62 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.61 4.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.94 0.00 0.00 57 V 9.20 4.97 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 0.79 0.00 0.00 0.86 0.00 0.00 58 E 8.51 5.06 0.00 1.87 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 2.26 0.00 59 I 8.44 5.14 1.69 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 0.98 0.75 0.98 0.00 0.00 60 I 8.39 5.23 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.61 0.91 0.00 0.00 61 E 8.83 3.15 0.00 1.89 1.80 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 2.08 1.93 0.00 62 S 7.67 4.60 0.00 3.63 3.63 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 0.00 0.00 0.00 0.00 63 R 8.57 3.76 0.00 1.71 1.80 0.00 3.21 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 64 P 0.00 4.22 0.00 2.06 1.99 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 65 I 8.41 4.01 2.00 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 1.43 0.78 0.87 0.00 0.00 66 S 7.45 4.55 0.00 3.93 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 67 K 8.74 3.86 0.00 1.75 1.90 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 68 R 7.11 4.49 0.00 1.79 1.83 0.00 3.33 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 69 K 7.06 4.41 0.00 1.83 1.68 0.00 1.77 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.55 7.81 70 R 8.24 4.72 0.00 1.83 1.64 0.00 3.25 0.00 0.00 3.41 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 71 F 8.18 5.29 0.00 3.05 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.54 5.11 0.00 1.72 1.78 0.00 3.15 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 73 V 7.91 3.81 1.78 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 -0.69 0.00 0.00 0.80 0.00 0.00 74 L 7.80 4.72 0.00 1.71 1.65 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.22 4.99 0.00 1.95 2.02 0.00 3.22 0.00 0.00 3.25 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.39 0.00 76 L 9.08 4.48 0.00 1.84 1.69 1.18 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.56 4.45 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 0.87 0.00 0.00 0.96 0.00 0.00 78 E 7.69 4.47 0.00 2.03 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 2.22 2.25 0.00 79 S 9.16 4.15 0.00 3.85 3.83 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 80 G 7.71 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 81 R 7.87 4.85 0.00 2.06 1.87 0.00 3.77 0.00 0.00 3.30 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 82 M 8.34 4.26 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.54 0.00 83 D 8.13 4.36 0.00 2.87 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 84 L 7.64 4.12 0.00 1.89 1.77 0.93 0.78 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 85 V 7.75 3.65 2.28 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 1.19 0.00 0.00 0.99 0.00 0.00 86 E 8.38 3.96 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 87 K 7.78 3.63 0.00 1.90 1.90 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.63 7.81 88 Y 7.71 3.98 0.00 3.11 3.12 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 0.00 89 L 8.43 4.02 0.00 1.85 1.72 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.55 3.67 1.80 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 1.59 1.10 0.84 0.00 0.00 91 R 7.27 3.56 0.00 1.73 1.63 0.00 3.23 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.44 0.00 92 R 7.25 3.66 0.00 1.82 1.85 0.00 3.32 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.55 0.00 93 Q 7.71 4.00 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 94 N 7.75 4.47 0.00 2.60 2.80 0.00 0.00 6.93 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 95 Y 7.44 4.47 0.00 3.15 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 96 Q 7.77 3.93 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.45 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 97 S 7.75 4.85 0.00 4.07 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 98 L 7.85 4.65 0.00 1.65 1.72 1.05 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.24 4.49 0.00 4.02 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.48 4.18 0.00 1.71 1.69 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.32 7.81