NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4620 0.0000 0.0000 62.5301 32.9908 178.3416 2 S 3.8599 8.1603 116.0337 61.3836 63.6471 174.6007 3 H 4.5652 8.1587 117.1383 57.3387 30.7438 175.1732 4 S 5.2237 7.5960 112.8906 56.4159 64.9328 174.0022 5 G 4.3897 9.5701 110.3277 44.6653 0.0000 172.0148 6 A 4.8166 8.6436 123.1014 52.0047 19.3710 176.9142 7 A 4.0612 9.4681 121.9809 50.7339 23.2548 175.3658 8 I 4.8676 8.8780 122.6219 60.2231 39.6058 175.3418 9 F 4.5113 8.7840 128.3827 57.0393 41.4237 173.9077 10 E 3.1938 8.1476 127.8027 57.3588 25.2229 175.9057 11 K 3.9822 8.0481 112.6787 56.8357 30.5709 175.9984 12 V 4.5347 7.4501 117.3360 61.0266 34.2788 174.0803 13 S 5.2824 8.4915 120.8415 57.3511 64.9398 172.8470 14 G 4.2195 8.9445 111.4885 46.0528 0.0000 171.5069 15 I 4.6346 8.6908 121.2116 60.3527 38.7827 175.4622 16 I 5.0274 9.1918 128.4933 59.8063 38.9145 174.5685 17 A 5.0279 9.3520 129.1870 50.0987 22.2705 174.8803 18 I 4.3996 8.1385 121.8507 59.9322 38.5818 175.1294 19 N 4.8690 9.6543 128.5332 52.2649 39.6855 174.8905 20 E 4.3565 8.6757 123.6529 55.9910 31.0914 177.2744 21 D 4.2666 8.1708 119.0666 56.4570 41.7258 175.8703 22 V 4.3118 6.6944 118.2931 61.5783 33.6569 174.9915 23 S 4.3455 8.0926 112.3926 57.5128 64.2919 173.1836 24 P 4.3988 0.0000 0.0000 61.8410 32.0489 175.6388 25 A 4.3727 7.7130 122.5789 53.1480 19.7658 175.9633 26 E 4.9236 9.8011 117.4367 55.5120 34.8061 174.5978 27 L 4.8339 9.1437 125.6298 54.1256 43.6987 175.4784 28 T 4.9519 9.3916 124.4995 62.3416 70.8472 174.0602 29 W 5.4169 10.0434 135.0000 56.0449 34.0027 173.7847 30 R 4.8066 8.8667 127.4672 54.0468 31.9791 176.4882 31 S 3.8547 8.2723 119.0787 58.2162 63.2274 175.2402 32 T 3.8960 8.3368 120.3776 66.7054 68.3811 176.0561 33 D 4.3273 7.8610 120.7676 55.4067 40.9215 177.3029 34 G 3.8121 7.8232 105.3816 46.2591 0.0000 173.6824 35 D 4.7717 7.9991 119.3800 53.5655 42.9324 176.5292 36 K 4.6005 7.7116 118.4162 54.2766 35.5994 175.2093 37 V 4.6908 8.4645 124.3568 61.3160 33.7620 173.8114 38 H 5.1447 10.0158 128.9832 54.8151 32.5051 173.0260 39 T 5.2100 8.4941 120.4919 61.7938 71.4624 173.3853 40 V 4.4525 9.2685 126.1646 61.0082 34.9138 174.2701 41 V 4.3661 8.1548 126.2231 62.1019 32.3061 176.2028 42 L 4.1542 8.2817 126.4117 56.1857 41.6372 178.1947 43 S 2.9280 8.1212 112.8734 60.1615 62.8764 174.1109 44 T 4.2141 7.3323 114.1029 61.7698 65.4322 173.9202 45 I 5.1091 6.9663 121.8663 58.6157 36.3367 175.5347 46 D 4.5371 8.4062 125.7254 57.0975 41.6723 175.8320 47 K 4.5913 7.2755 115.5218 55.4676 37.6291 174.4718 48 L 4.9346 8.4212 121.0056 54.4224 42.4753 175.8973 49 Q 4.8066 9.5848 123.5078 54.2437 31.2408 174.7433 50 A 5.2229 8.2470 122.5808 50.2200 22.6601 175.9634 51 T 4.2166 8.3900 110.2925 60.7654 69.8099 172.9906 52 P 4.4324 0.0000 0.0000 62.3950 32.1247 177.1162 53 A 4.1312 8.3804 121.4197 54.4502 18.3821 178.5637 54 S 4.4347 7.9423 110.1801 58.6385 63.5721 173.9297 55 S 4.6852 7.7651 118.6681 56.5132 63.3854 174.9727 56 E 4.0506 8.8551 125.9532 58.4642 29.4525 177.4009 57 K 4.2607 7.4425 117.5138 55.5625 32.4615 176.0528 58 M 4.5309 8.5700 124.7240 54.6830 33.4790 175.4306 59 M 5.3721 8.7922 123.0353 54.1718 37.4635 173.8886 60 L 5.1291 9.2305 123.4682 53.0768 44.5807 175.2731 61 R 5.1430 9.2011 125.1749 54.6001 32.6288 174.5920 62 L 5.0087 8.8450 125.8477 52.9188 44.9305 175.5947 63 I 4.1726 8.4109 125.1141 60.1652 38.1440 176.9216 64 G 4.2772 8.8057 119.4077 46.8033 0.0000 173.7980 65 K 3.6493 7.7616 119.2871 56.8701 31.4895 174.7077 66 V 4.1301 7.6686 114.7275 64.8070 33.2524 175.1059 67 D 4.6782 7.7318 119.4113 54.1933 41.2362 177.1550 68 E 4.7782 8.3180 125.3048 55.6024 30.7410 177.6589 69 S 3.9538 8.3154 116.8302 61.0133 63.3886 176.0232 70 K 4.2324 7.9138 118.4024 57.8558 32.5493 177.3773 71 K 4.3010 7.2739 117.5586 55.2394 32.7876 177.0862 72 R 4.0168 8.4127 121.9770 56.3276 30.2067 176.9058 73 K 4.2768 8.4610 121.8708 55.8287 33.1067 177.7589 74 D 4.4033 8.6202 121.3728 55.6803 41.3556 177.6921 75 N 4.5377 7.6240 114.2195 53.6401 37.4888 174.8020 76 E 4.3493 7.6081 118.7878 54.3793 28.0357 176.3924 77 G 3.9899 8.2341 104.5107 45.1703 0.0000 171.0524 78 N 4.7629 7.7619 116.5856 51.7325 39.8063 174.3556 79 E 4.6955 8.2902 121.4374 53.9999 32.5443 176.1694 80 V 3.5629 8.3145 119.2558 65.8899 31.5505 175.6445 81 V 3.5000 7.7442 118.9764 62.2777 31.0697 173.4878 82 P 4.2813 0.0000 0.0000 63.3160 31.4592 176.0361 83 K 4.8185 8.1699 121.4136 54.0545 36.3534 174.1210 84 P 4.8054 0.0000 0.0000 62.2643 32.3561 175.2755 85 Q 4.6998 8.7342 121.6177 54.4388 30.9259 174.3899 86 R 5.1018 8.6394 122.0742 54.5500 33.5543 174.8748 87 H 4.5946 9.2184 120.7690 54.3840 30.7793 172.9572 88 M 4.6508 8.3600 124.0966 54.1566 33.2664 175.1384 89 F 5.1036 9.1799 124.9298 55.8524 42.8305 174.6497 90 S 5.1679 9.0383 117.5700 57.0152 65.3473 173.1137 91 F 4.7870 9.6673 124.9513 55.9604 40.1642 175.7983 92 N 4.8877 8.8350 119.3386 53.1710 38.9181 175.1946 93 N 4.9415 7.8805 116.8376 50.8467 43.0065 174.9132 94 R 3.8595 8.7494 125.7746 59.9777 30.3810 178.6763 95 T 3.8544 7.8522 114.9930 66.5079 68.3264 176.7925 96 V 3.7006 7.6702 120.1786 66.0370 31.6875 177.8437 97 M 2.5500 8.3387 117.3197 57.7976 30.9530 178.3194 98 D 4.3970 8.1516 119.9551 56.9260 40.8814 178.4093 99 N 4.3763 8.1489 117.2768 55.8339 38.4037 177.4198 100 I 3.8134 7.3759 121.2437 63.6012 37.5315 177.8757 101 K 3.8868 8.1153 120.8850 60.1190 31.5507 178.7478 102 M 4.4442 7.6640 119.5946 58.0997 31.3798 178.9979 103 T 3.9027 7.3898 115.6184 66.4777 68.5003 176.9693 104 L 4.0609 8.7585 122.0250 57.7767 41.4608 179.5540 105 Q 4.0338 8.1460 118.2195 58.8448 28.3429 178.7189 106 Q 4.0205 7.4976 118.0293 58.9369 29.0280 178.3134 107 I 3.8786 7.5117 120.3296 64.4188 37.1722 178.2340 108 I 3.8345 7.5706 120.6707 64.9518 36.5729 178.5422 109 S 4.2184 7.9842 115.0157 61.8431 62.3592 177.1755 110 R 4.0109 7.7601 120.0634 59.2622 30.2243 178.3116 111 Y 4.1261 8.1115 116.6146 60.6769 37.9459 178.3583 112 K 4.1967 8.0298 119.3227 59.3565 31.9939 178.8139 113 D 4.3825 7.6528 117.2943 57.3169 40.7791 177.7932 114 A 4.0832 7.5138 120.3438 55.0681 18.7301 176.7761 115 D 4.1762 7.7944 118.7931 55.1693 42.2156 175.3463 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 P 0.00 4.46 0.00 2.22 2.14 0.00 3.57 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 2 S 8.16 3.86 0.00 3.91 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 3 H 8.16 4.57 0.00 3.16 3.36 0.00 5.75 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 7.60 5.22 0.00 3.68 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 5 G 9.57 4.39 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 0.00 6 A 8.64 4.82 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 7 A 9.47 4.06 0.31 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 0.00 0.00 8 I 8.88 4.87 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.67 1.00 0.00 0.00 9 F 8.78 4.51 0.00 1.88 1.45 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 0.00 10 E 8.15 3.19 0.00 2.01 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 1.47 1.47 0.00 11 K 8.05 3.98 0.00 1.87 1.91 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.70 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.36 7.81 12 V 7.45 4.53 2.56 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 1.04 0.00 0.00 1.10 0.00 0.00 13 S 8.49 5.28 0.00 4.04 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 14 G 8.94 4.22 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 0.00 0.00 0.00 15 I 8.69 4.63 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.54 0.93 0.00 0.00 16 I 9.19 5.03 1.96 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.02 0.87 0.00 0.00 17 A 9.35 5.03 1.21 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 0.00 0.00 0.00 18 I 8.14 4.40 2.14 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 1.14 0.65 0.99 0.00 0.00 19 N 9.65 4.87 0.00 2.74 2.87 0.00 0.00 6.35 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 E 8.68 4.36 0.00 2.18 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 2.22 2.29 0.00 21 D 8.17 4.27 0.00 2.62 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 22 V 6.69 4.31 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 0.94 0.00 0.00 23 S 8.09 4.35 0.00 3.92 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 24 P 0.00 4.40 0.00 2.42 2.32 0.00 3.83 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 2.06 2.04 0.00 25 A 7.71 4.37 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 26 E 9.80 4.92 0.00 1.83 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 2.27 2.47 0.00 27 L 9.14 4.83 0.00 1.69 1.49 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 28 T 9.39 4.95 4.28 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 1.24 0.00 0.00 29 W 10.04 5.42 0.00 3.09 3.25 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 30 R 8.87 4.81 0.00 1.62 1.66 0.00 3.15 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 31 S 8.27 3.85 0.00 3.41 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 32 T 8.34 3.90 4.28 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 1.20 0.00 0.00 33 D 7.86 4.33 0.00 2.63 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 34 G 7.82 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 35 D 8.00 4.77 0.00 2.60 2.67 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 36 K 7.71 4.60 0.00 1.59 1.55 0.00 1.46 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.45 7.81 37 V 8.46 4.69 2.07 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 0.77 0.00 0.00 0.87 0.00 0.00 38 H 10.02 5.14 0.00 3.70 3.68 0.00 5.59 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.49 5.21 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 40 V 9.27 4.45 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 0.94 0.00 0.00 0.91 0.00 0.00 41 V 8.15 4.37 2.07 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 0.94 0.00 0.00 0.94 0.00 0.00 42 L 8.28 4.15 0.00 1.82 1.79 0.99 0.90 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 43 S 8.12 2.93 0.00 4.07 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 44 T 7.33 4.21 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 1.22 0.00 0.00 45 I 6.97 5.11 1.87 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 1.34 0.59 0.92 0.00 0.00 46 D 8.41 4.54 0.00 2.58 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 47 K 7.28 4.59 0.00 1.72 1.64 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.34 7.81 48 L 8.42 4.93 0.00 1.59 1.64 0.91 0.50 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 49 Q 9.58 4.81 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 50 A 8.25 5.22 1.14 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 0.00 0.00 51 T 8.39 4.22 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 1.34 0.00 0.00 52 P 0.00 4.43 0.00 2.24 2.22 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 53 A 8.38 4.13 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 S 7.94 4.43 0.00 3.87 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 55 S 7.77 4.69 0.00 4.04 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 56 E 8.86 4.05 0.00 1.96 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 2.32 2.35 0.00 57 K 7.44 4.26 0.00 1.81 1.79 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.42 7.81 58 M 8.57 4.53 0.00 2.11 2.35 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 59 M 8.79 5.37 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 60 L 9.23 5.13 0.00 1.94 1.74 0.51 0.76 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 61 R 9.20 5.14 0.00 1.85 1.79 0.00 3.20 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 62 L 8.85 5.01 0.00 1.73 1.57 1.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.41 4.17 1.86 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 1.17 0.84 0.91 0.00 0.00 64 G 8.81 4.28 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 0.00 65 K 7.76 3.65 0.00 1.92 1.79 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.36 7.81 66 V 7.67 4.13 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 0.91 0.00 0.00 0.93 0.00 0.00 67 D 7.73 4.68 0.00 2.71 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 68 E 8.32 4.78 0.00 1.97 1.87 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 2.29 2.32 0.00 69 S 8.32 3.95 0.00 3.86 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 70 K 7.91 4.23 0.00 1.74 1.86 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.45 7.81 71 K 7.27 4.30 0.00 1.58 1.73 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.55 7.81 72 R 8.41 4.02 0.00 1.81 1.89 0.00 3.21 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 73 K 8.46 4.28 0.00 1.83 1.73 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.43 7.81 74 D 8.62 4.40 0.00 2.81 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 75 N 7.62 4.54 0.00 3.13 2.99 0.00 0.00 6.96 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 76 E 7.61 4.35 0.00 2.18 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 2.32 2.48 0.00 77 G 8.23 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 0.00 0.00 0.00 78 N 7.76 4.76 0.00 2.74 2.77 0.00 0.00 7.09 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 79 E 8.29 4.70 0.00 1.93 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 2.21 2.20 0.00 80 V 8.31 3.56 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 0.71 0.00 0.00 0.93 0.00 0.00 81 V 7.74 3.50 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 0.85 0.00 0.00 0.93 0.00 0.00 82 P 0.00 4.28 0.00 2.08 2.02 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 83 K 8.17 4.82 0.00 1.58 1.65 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.38 7.81 84 P 0.00 4.81 0.00 2.07 2.05 0.00 3.33 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.80 0.00 85 Q 8.73 4.70 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 86 R 8.64 5.10 0.00 1.65 1.83 0.00 3.15 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 87 H 9.22 4.59 0.00 2.95 2.78 0.00 5.60 0.00 0.00 0.00 0.00 6.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 M 8.36 4.65 0.00 1.92 1.90 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 2.52 2.54 0.00 89 F 9.18 5.10 0.00 3.18 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 90 S 9.04 5.17 0.00 3.71 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 91 F 9.67 4.79 0.00 2.98 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 92 N 8.83 4.89 0.00 2.76 2.88 0.00 0.00 6.88 8.04 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 93 N 7.88 4.94 0.00 2.88 2.81 0.00 0.00 6.72 7.70 0.00 0.00 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 R 8.75 3.86 0.00 1.88 1.92 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.70 0.00 95 T 7.85 3.85 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 96 V 7.67 3.70 2.43 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 1.51 0.00 0.00 1.01 0.00 0.00 97 M 8.34 2.55 0.00 1.65 1.41 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 98 D 8.15 4.40 0.00 2.77 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 99 N 8.15 4.38 0.00 2.90 2.85 0.00 0.00 6.91 7.31 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 0.00 100 I 7.38 3.81 1.80 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.97 0.00 0.00 101 K 8.12 3.89 0.00 1.71 1.70 0.00 1.56 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.43 7.81 102 M 7.66 4.44 0.00 2.04 2.12 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 2.71 2.40 0.00 103 T 7.39 3.90 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 1.13 0.00 0.00 104 L 8.76 4.06 0.00 1.80 1.72 0.92 0.80 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 0.00 105 Q 8.15 4.03 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 106 Q 7.50 4.02 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 107 I 7.51 3.88 2.13 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.78 1.14 0.00 0.00 108 I 7.57 3.83 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 1.76 1.19 0.94 0.00 0.00 109 S 7.98 4.22 0.00 4.06 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 0.00 110 R 7.76 4.01 0.00 1.89 1.83 0.00 3.11 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 111 Y 8.11 4.13 0.00 3.23 2.99 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 0.00 112 K 8.03 4.20 0.00 1.94 1.88 0.00 1.72 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.84 1.50 7.81 113 D 7.65 4.38 0.00 2.84 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 0.00 114 A 7.51 4.08 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 0.00 115 D 7.79 4.18 0.00 2.63 2.50 0.00 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