NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4592 8.3349 115.4132 58.0236 64.7075 174.9854 2 N 4.1783 8.3718 120.4473 57.3721 38.7890 174.9874 3 I 4.7253 7.9907 118.0508 60.2299 40.1833 172.7488 4 I 4.6495 7.7344 121.2953 62.4061 43.7390 176.4498 5 K 4.3234 8.0055 118.2518 58.2491 33.0262 178.3024 6 Q 4.2472 7.9537 114.2781 57.0701 28.9004 177.4431 7 L 4.1413 7.9050 121.1873 57.9315 42.1900 178.5648 8 E 3.9942 8.0958 118.3037 59.3601 29.3339 178.7172 9 Q 4.1103 8.1820 116.7177 58.9672 28.4884 178.6334 10 E 4.2602 7.7011 117.9716 58.2958 30.7237 177.6356 11 Q 4.6587 7.8383 117.3019 55.1796 26.8214 174.5152 12 M 4.4147 7.2903 122.0382 56.6885 39.9723 175.6984 13 K 4.4745 7.4886 121.3094 55.7977 31.7829 176.2505 14 Q 4.4498 9.3763 126.1553 57.0366 30.7926 174.2165 15 D 4.7395 7.7566 117.0572 53.6321 42.4771 176.4947 16 V 4.7186 7.7647 116.1282 60.4895 32.2031 174.9645 17 P 4.8062 0.0000 0.0000 62.4980 31.2447 179.5190 18 S 4.6366 9.0363 123.2950 58.0066 64.5762 175.8736 19 F 3.7399 8.5499 115.5006 58.3734 37.5233 175.2545 20 R 4.6443 7.7481 114.5046 55.0875 32.1178 169.5532 21 P 4.8113 0.0000 0.0000 60.3457 33.5238 176.5059 22 G 3.7075 8.2745 112.5624 44.5316 0.0000 172.4990 23 D 4.1649 8.9459 125.0519 56.7991 41.6973 173.7163 24 T 3.4888 8.2883 117.1464 65.3899 67.4186 173.6076 25 V 3.8362 7.9487 122.9408 63.1866 29.5600 177.0967 26 E 4.5964 8.1662 132.7559 55.3400 28.5140 177.3788 27 V 4.0922 7.3148 118.3431 60.6647 34.4214 176.1050 28 K 4.4835 7.9688 121.7591 55.3399 33.0386 176.7375 29 V 3.7446 8.3015 126.2875 61.7045 32.3607 175.0943 30 W 4.6682 8.7174 128.5040 57.7547 30.1880 175.2184 31 V 4.4296 9.2306 125.1964 60.8558 32.9261 176.2911 32 V 3.7102 8.3197 127.8481 63.5223 31.7911 177.2873 33 E 3.7005 8.5032 119.2799 56.4312 28.6357 175.1849 34 G 4.3964 9.8310 113.0768 46.4555 0.0000 173.1662 35 S 3.7097 8.0960 115.9397 56.7615 62.5367 169.8724 36 K 4.6569 8.1359 120.7983 54.4747 35.8354 179.4640 37 K 3.6014 8.1168 121.0096 58.0165 31.4625 179.7605 38 R 4.1368 8.5298 130.4433 57.5438 31.3495 170.4104 39 L 3.6219 8.4702 123.6577 54.6223 41.9110 172.7168 40 Q 4.1214 8.5547 121.8752 57.3247 30.6433 176.6161 41 A 2.8828 7.3855 119.8644 51.3852 17.8209 176.0892 42 F 5.0797 7.4958 108.0146 56.8490 39.5349 173.4249 43 E 5.2461 9.4782 123.1595 54.9285 34.3115 175.2947 44 G 4.8405 8.2986 107.9624 43.9290 0.0000 171.3713 45 V 4.6017 8.2671 120.3508 60.6364 33.9720 176.9447 46 V 4.0620 8.4539 126.8778 62.0209 31.4698 175.4940 47 I 4.5596 7.9842 123.3883 59.8724 39.9564 174.9508 48 A 4.3402 8.0758 121.1958 52.9499 21.9586 173.5523 49 I 3.7330 8.4080 120.6083 61.0883 37.2817 173.3570 50 R 4.5850 7.7387 118.1017 55.8166 35.2866 172.3623 51 N 4.5791 10.8546 118.2100 51.8259 37.3737 175.7296 52 R 4.9374 4.0000 123.8331 55.7342 34.1505 173.2870 53 G 3.2060 7.7505 116.6477 43.5832 0.0000 172.4217 54 L 4.3953 5.9491 127.8561 56.0613 45.2136 177.3221 55 H 3.9538 8.0398 116.9621 58.7468 27.4830 173.2768 56 S 3.7384 8.2174 113.8449 58.7951 63.2304 170.6008 57 A 4.0457 7.6824 131.3068 53.0567 19.3129 178.3640 58 F 4.6129 8.6493 125.4662 58.2948 39.0396 177.7270 59 T 4.2194 7.6471 117.6613 64.2395 67.6314 175.2960 60 V 4.0097 7.9902 125.1460 60.0679 36.9486 174.8687 61 R 4.3873 8.7456 116.1445 56.8706 26.5621 174.9260 62 K 4.2566 7.8109 115.3542 56.8201 32.9653 177.5324 63 I 4.1262 8.8230 127.3759 60.7743 38.7967 175.4225 64 S 4.7701 8.7223 120.4856 56.7152 64.2679 172.2147 65 N 4.7954 8.7862 126.5461 51.7273 40.8362 175.2311 66 G 3.7937 8.4455 113.2896 44.9228 0.0000 172.1819 67 E 3.7589 7.7984 117.1372 57.1408 29.0806 176.5312 68 G 4.2991 8.9526 117.4631 45.8763 0.0000 172.8794 69 V 4.0495 7.8905 114.3629 61.6980 31.7589 176.9429 70 E 4.3530 9.3976 116.3279 56.6892 32.4816 174.3754 71 R 4.3321 8.1070 121.6407 56.6606 30.0335 175.9330 72 V 3.7018 7.0111 111.0168 59.0515 33.0004 175.2493 73 F 4.8539 8.8536 125.2430 56.5178 41.9846 174.6626 74 Q 4.8702 8.9431 125.0206 54.8215 27.5351 174.1429 75 T 4.0126 7.8004 115.4397 62.7607 69.2341 175.0700 76 H 4.6413 8.8395 124.8408 56.4147 29.2087 174.5581 77 S 4.5602 7.8329 112.9942 60.4948 64.3382 171.9238 78 P 4.2561 0.0000 0.0000 62.1476 31.1051 174.3118 79 V 3.9168 8.0228 120.4844 62.5535 32.2753 172.3840 80 V 4.1427 7.1976 120.1364 58.7393 30.4497 175.7488 81 D 5.0451 7.3389 117.6557 53.6569 41.4878 179.3575 82 S 4.3462 8.2218 125.1346 57.6149 61.4754 173.9883 83 I 3.6284 7.7767 120.3424 62.4398 36.6701 175.4342 84 S 3.7372 8.9416 118.0550 61.3968 62.9657 179.6298 85 V 2.8544 6.9924 117.6557 64.8040 33.5673 174.7802 86 K 4.2014 8.0516 119.4816 55.6073 32.4040 176.8662 87 R 4.4936 8.5381 123.0732 54.6840 31.6953 174.8319 88 R 4.2203 8.6478 123.4560 57.0685 31.5521 176.1942 89 G 3.8093 7.9916 106.9087 44.0731 0.0000 172.7404 90 A 3.5999 8.7728 124.8615 55.2923 19.6743 177.9580 91 V 4.7690 9.0090 117.2009 60.9050 34.3110 174.8983 92 R 3.7571 9.1401 110.9636 56.9183 28.0002 171.8272 93 K 4.4856 7.8727 117.8977 53.5806 34.5567 175.2644 94 A 3.8394 8.9397 125.3661 54.8234 17.3965 177.1635 95 K 4.3427 8.8194 116.8178 55.3954 33.7328 176.6766 96 L 3.3484 7.6071 119.8341 55.5228 42.1971 172.0155 97 Y 3.7112 7.8105 112.9374 58.2899 39.2211 175.5014 98 Y 3.1106 8.7228 118.0912 58.8950 34.3997 170.1610 99 L 4.6210 7.3994 120.7761 54.0135 41.6374 178.5085 100 R 4.3555 7.4379 116.4469 54.9788 28.8035 176.8520 101 E 4.6389 7.8405 131.4568 56.3332 30.5174 176.0472 102 R 3.8712 7.6346 120.0817 56.7564 29.6432 176.2676 103 T 4.1831 7.7415 115.0852 62.3624 70.4168 172.5516 104 G 3.6788 8.6569 114.5656 46.3355 0.0000 170.6803 105 K 4.1726 7.8424 127.0983 57.0077 35.9608 175.7557 106 A 4.1334 8.9156 120.9772 54.0907 18.5368 178.5674 107 A 4.3567 7.2734 120.7536 50.4226 17.0022 177.6582 108 R 4.0893 7.7662 119.9775 56.0569 31.6196 177.4112 109 I 4.2052 8.0658 120.9707 64.1325 36.5658 177.3260 110 K 4.5289 6.9508 117.7197 55.6999 32.3062 175.9958 111 E 4.8471 8.3517 131.8569 53.3890 28.3128 176.3231 112 R 3.5474 8.7382 131.7096 57.5885 28.4267 176.1437 113 L 4.3386 7.9930 123.9143 54.3914 42.8223 174.5977 114 N 4.6167 8.3715 121.5007 53.0825 39.3712 174.6559 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 S 8.33 4.46 0.00 4.00 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 2 N 8.37 4.18 0.00 2.81 2.96 0.00 0.00 6.96 6.57 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 3 I 7.99 4.73 1.87 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 1.42 0.34 0.91 0.00 0.00 4 I 7.73 4.65 1.87 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 1.42 0.45 0.91 0.00 0.00 5 K 8.01 4.32 0.00 1.81 1.84 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.44 7.81 6 Q 7.95 4.25 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 7 L 7.91 4.14 0.00 1.73 1.77 0.92 0.97 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 8 E 8.10 3.99 0.00 2.10 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 2.40 2.46 0.00 9 Q 8.18 4.11 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 10 E 7.70 4.26 0.00 2.21 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 2.28 2.53 0.00 11 Q 7.84 4.66 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 12 M 7.29 4.41 0.00 1.96 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 13 K 7.49 4.47 0.00 1.53 1.57 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.66 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.27 7.81 14 Q 9.38 4.45 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 15 D 7.76 4.74 0.00 2.68 2.63 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 16 V 7.76 4.72 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 0.69 0.00 0.00 0.92 0.00 0.00 17 P 0.00 4.81 0.00 2.18 1.21 0.00 4.04 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 18 S 9.04 4.64 0.00 4.03 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 0.00 19 F 8.55 3.74 0.00 3.04 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 20 R 7.75 4.64 0.00 1.80 1.86 0.00 3.35 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 21 P 0.00 4.81 0.00 2.31 2.11 0.00 3.93 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 2.14 2.06 0.00 22 G 8.27 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 23 D 8.95 4.16 0.00 2.73 2.93 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 24 T 8.29 3.49 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 1.25 0.00 0.00 25 V 7.95 3.84 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 1.06 0.00 0.00 1.03 0.00 0.00 26 E 8.17 4.60 0.00 1.97 1.91 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 2.61 2.22 0.00 27 V 7.31 4.09 2.15 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 0.72 0.00 0.00 0.76 0.00 0.00 28 K 7.97 4.48 0.00 1.10 1.40 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.24 7.81 29 V 8.30 3.74 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 1.01 0.00 0.00 0.89 0.00 0.00 30 W 8.72 4.67 0.00 3.26 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 31 V 9.23 4.43 2.40 0.00 0.00 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 0.00 0.00 0.83 0.00 0.00 32 V 8.32 3.71 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 0.82 0.00 0.00 1.04 0.00 0.00 33 E 8.50 3.70 0.00 2.41 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 2.29 2.32 0.00 34 G 9.83 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.10 3.71 0.00 4.00 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 36 K 8.14 4.66 0.00 1.75 1.70 0.00 1.97 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.36 7.81 37 K 8.12 3.60 0.00 1.86 0.89 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.34 7.81 38 R 8.53 4.14 0.00 1.73 1.85 0.00 3.39 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 39 L 8.47 3.62 0.00 1.78 1.60 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.55 4.12 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.17 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 41 A 7.39 2.88 1.18 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 42 F 7.50 5.08 0.00 2.96 3.07 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 43 E 9.48 5.25 0.00 2.01 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 2.48 2.53 0.00 44 G 8.30 4.84 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 45 V 8.27 4.60 2.17 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 0.96 0.00 0.00 1.22 0.00 0.00 46 V 8.45 4.06 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 0.83 0.00 0.00 0.94 0.00 0.00 47 I 7.98 4.56 1.90 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 1.27 0.84 0.94 0.00 0.00 48 A 8.08 4.34 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 49 I 8.41 3.73 1.99 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 1.45 0.46 1.11 0.00 0.00 50 R 7.74 4.59 0.00 1.61 1.74 0.00 3.21 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.41 0.00 51 N 10.85 4.58 0.00 2.62 2.40 0.00 0.00 6.15 7.66 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 52 R 4.00 4.94 0.00 1.97 1.92 0.00 3.04 0.00 0.00 2.92 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.20 0.00 53 G 7.75 3.21 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 0.00 54 L 5.95 4.40 0.00 1.46 1.43 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.04 3.95 0.00 3.08 3.28 0.00 5.88 0.00 0.00 0.00 0.00 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.22 3.74 0.00 4.18 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 57 A 7.68 4.05 1.35 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 58 F 8.65 4.61 0.00 2.95 3.06 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 59 T 7.65 4.22 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 0.78 0.00 0.00 60 V 7.99 4.01 1.96 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 0.63 0.00 0.00 0.97 0.00 0.00 61 R 8.75 4.39 0.00 1.96 2.00 0.00 3.32 0.00 0.00 3.95 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 62 K 7.81 4.26 0.00 1.61 1.80 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.76 1.46 7.81 63 I 8.82 4.13 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.61 0.97 0.00 0.00 64 S 8.72 4.77 0.00 3.83 3.74 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 65 N 8.79 4.80 0.00 2.84 2.66 0.00 0.00 6.81 7.92 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 66 G 8.45 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 67 E 7.80 3.76 0.00 2.13 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 2.27 0.00 68 G 8.95 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 0.00 0.00 0.00 0.00 69 V 7.89 4.05 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 0.83 0.00 0.00 0.92 0.00 0.00 70 E 9.40 4.35 0.00 1.92 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 2.20 2.31 0.00 71 R 8.11 4.33 0.00 2.02 2.07 0.00 3.41 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 72 V 7.01 3.70 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 0.98 0.00 0.00 0.97 0.00 0.00 73 F 8.85 4.85 0.00 3.10 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 74 Q 8.94 4.87 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 75 T 7.80 4.01 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 0.85 0.00 0.00 76 H 8.84 4.64 0.00 3.12 3.33 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 77 S 7.83 4.56 0.00 3.95 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 78 P 0.00 4.26 0.00 2.07 2.09 0.00 3.78 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 2.09 2.13 0.00 79 V 8.02 3.92 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 0.77 0.00 0.00 0.93 0.00 0.00 80 V 7.20 4.14 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 0.76 0.00 0.00 0.97 0.00 0.00 81 D 7.34 5.05 0.00 2.94 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 82 S 8.22 4.35 0.00 3.91 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 83 I 7.78 3.63 1.90 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 1.42 0.70 1.00 0.00 0.00 84 S 8.94 3.74 0.00 3.92 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 85 V 6.99 2.85 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 0.76 0.00 0.00 0.96 0.00 0.00 86 K 8.05 4.20 0.00 1.77 1.72 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.45 7.81 87 R 8.54 4.49 0.00 1.74 1.86 0.00 3.41 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 88 R 8.65 4.22 0.00 1.71 1.90 0.00 3.27 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 89 G 7.99 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 90 A 8.77 3.60 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 91 V 9.01 4.77 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 1.31 0.00 0.00 0.94 0.00 0.00 92 R 9.14 3.76 0.00 2.09 2.12 0.00 3.26 0.00 0.00 3.22 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 93 K 7.87 4.49 0.00 1.70 1.59 0.00 1.35 0.00 0.00 1.34 0.00 0.00 2.81 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.30 7.81 94 A 8.94 3.84 1.19 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 0.00 0.00 95 K 8.82 4.34 0.00 1.73 1.82 0.00 1.94 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.42 7.81 96 L 7.61 3.35 0.00 1.76 1.69 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.81 3.71 0.00 3.24 3.30 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 98 Y 8.72 3.11 0.00 3.34 3.20 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 99 L 7.40 4.62 0.00 1.51 1.52 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.44 4.36 0.00 1.97 1.95 0.00 3.15 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 101 E 7.84 4.64 0.00 1.93 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 2.20 2.29 0.00 102 R 7.63 3.87 0.00 1.79 1.96 0.00 3.25 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 103 T 7.74 4.18 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 1.21 0.00 0.00 104 G 8.66 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 0.00 105 K 7.84 4.17 0.00 1.89 1.84 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.31 7.81 106 A 8.92 4.13 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 0.00 107 A 7.27 4.36 1.24 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 0.00 108 R 7.77 4.09 0.00 1.84 1.87 0.00 3.42 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 109 I 8.07 4.21 1.84 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 1.39 0.77 0.87 0.00 0.00 110 K 6.95 4.53 0.00 1.75 1.71 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.51 7.81 111 E 8.35 4.85 0.00 1.94 1.63 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 2.26 2.27 0.00 112 R 8.74 3.55 0.00 1.93 1.94 0.00 3.40 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 113 L 7.99 4.34 0.00 1.61 1.54 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.37 4.62 0.00 2.70 2.64 0.00 0.00 7.02 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