NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2015 8.1727 122.0609 56.3112 34.0330 174.0991 2 V 4.4703 8.3722 128.0389 61.3146 31.6821 174.7542 3 F 4.3409 9.1910 127.9946 57.4186 40.0364 175.5920 4 G 3.8696 9.2453 109.7678 45.7419 0.0000 174.9366 5 R 3.2524 8.6094 119.9985 59.5091 30.0686 179.5491 6 C 4.3125 8.0483 115.7653 59.6072 34.4802 175.4113 7 E 3.9140 8.1219 120.6143 59.1971 29.2965 178.5334 8 L 3.4992 8.1867 120.2367 58.0099 42.1726 178.4526 9 A 3.9412 7.9377 120.5418 55.4927 18.2724 179.5526 10 A 3.9739 8.3095 118.8609 54.9813 18.4063 179.7821 11 A 3.9889 7.8060 119.1238 55.4565 18.4657 179.7657 12 M 3.8579 8.4213 117.6842 58.3056 31.8599 178.8233 13 K 3.8612 8.0873 119.7999 59.4912 32.1053 178.8000 14 R 3.8666 7.5716 117.6049 59.4809 30.0290 177.2998 15 H 4.5643 7.8458 113.2875 55.3718 28.6308 175.7785 16 G 3.8452 7.5508 108.3878 46.2439 0.0000 175.5048 17 L 3.4021 7.7238 122.7108 56.7547 41.6510 176.9492 18 D 4.7200 8.0006 118.1194 55.4966 41.1133 174.9593 19 N 4.3841 9.3277 123.5056 54.1389 37.0497 173.6831 20 Y 4.1230 8.3185 120.2962 58.7689 38.8458 176.2618 21 R 3.4133 8.8775 127.6202 57.3818 27.6481 177.0150 22 G 3.8018 8.2673 101.7146 46.3412 0.0000 173.2700 23 Y 4.5571 7.7253 118.3538 55.8895 39.1667 175.5463 24 S 4.5564 8.8323 119.7117 58.0345 63.7396 174.1949 25 L 4.2195 9.2974 129.0070 58.6747 42.0641 179.5822 26 G 4.0263 8.5457 104.4960 48.1768 0.0000 174.8433 27 N 4.5043 8.2546 118.0319 56.2366 38.5947 177.5222 28 W 3.7409 7.9588 119.6508 59.4723 29.0624 178.8086 29 V 3.6001 7.8299 117.7455 66.1262 31.0480 178.2803 30 C 2.8360 8.1819 118.2225 59.1151 44.5414 175.3072 31 A 3.9037 7.9482 122.0088 55.2732 17.9438 179.4856 32 A 4.2198 7.7462 120.4684 54.5265 18.3923 179.6464 33 K 2.5967 7.9118 118.2272 59.3798 31.8550 178.9765 34 F 4.3374 7.4399 116.5722 60.0435 38.9591 177.5188 35 E 4.3303 8.2190 118.1867 58.5801 29.7446 177.7472 36 S 4.5156 7.7850 108.9814 56.6447 64.8641 173.2962 37 N 3.7000 8.6301 118.1993 54.7162 37.8551 173.9859 38 F 3.9882 7.7280 109.8680 58.0658 36.6719 174.4460 39 N 4.8602 8.1354 121.2998 52.4741 38.2574 175.2549 40 T 4.0095 8.8286 118.3021 65.0650 69.5379 175.5321 41 Q 4.6503 8.4952 117.8224 55.7877 29.4443 176.5347 42 A 4.2895 8.1941 123.5370 52.5622 19.3890 177.1611 43 T 5.0117 8.3774 111.2302 59.9787 72.4520 172.9672 44 N 4.8533 8.8879 122.2308 51.8735 42.2897 173.4258 45 R 4.3439 8.6857 126.0004 56.3333 30.7513 176.1808 46 N 4.9298 9.1657 122.2323 51.8781 40.4403 176.6488 47 T 3.8661 8.5491 111.1455 64.7468 68.9539 175.1012 48 D 4.3921 7.9815 119.0091 53.9972 39.4611 176.9608 49 G 3.8655 7.9844 109.3476 45.1855 0.0000 173.6545 50 S 4.6741 7.8526 114.8600 57.9828 65.8183 173.0179 51 T 5.0220 8.6856 114.9497 62.3293 73.0590 173.2977 52 D 5.2180 9.0737 126.0005 53.8344 43.0798 175.1126 53 Y 4.8917 8.9538 119.7943 57.6382 42.0331 176.5505 54 G 4.6914 9.6258 111.9618 46.2039 0.0000 173.4535 55 I 4.2901 8.2988 109.8153 62.6957 37.3992 177.2039 56 L 4.6861 7.8680 117.7415 53.5233 42.5983 176.2037 57 Q 3.4890 7.8717 115.8701 57.1554 26.7152 174.4205 58 I 4.1135 7.8365 118.5310 61.2448 38.9460 176.7221 59 N 5.4753 9.1369 126.1424 53.0250 39.9426 175.6196 60 S 4.6778 9.1106 120.5458 59.9642 63.2118 175.4148 61 R 3.6445 8.3820 122.0719 58.6453 30.2858 178.1491 62 W 4.1973 7.9554 117.0163 56.4214 31.5149 176.9631 63 W 4.9374 8.0949 117.2846 57.5200 30.7431 173.7843 64 C 5.6643 8.1475 112.0342 53.7200 42.7794 172.2834 65 N 5.2845 8.6611 118.5770 52.0809 40.0334 174.7938 66 D 4.6497 8.7595 123.6731 52.1570 40.5943 176.2724 67 G 3.9941 8.5039 107.3766 46.5144 0.0000 174.7273 68 R 4.5730 8.5370 111.9823 56.0960 30.1871 175.4773 69 T 4.3586 7.7404 116.9226 60.9367 68.5789 170.8513 70 P 4.1885 0.0000 0.0000 64.3894 31.7607 177.1419 71 G 3.8072 8.9752 110.7526 45.2489 0.0000 173.2311 72 S 4.2902 7.1666 113.3720 57.1437 64.4182 173.1776 73 R 4.5751 8.3421 120.1043 54.6046 33.0944 176.2077 74 N 4.9683 7.9972 114.6099 52.0610 38.6390 174.6931 75 L 4.0719 8.8541 120.9807 57.8592 42.3823 178.6690 76 C 4.4816 8.6935 114.8658 57.5301 40.7505 172.7056 77 N 4.1306 8.1789 117.5031 54.2159 37.4604 173.5256 78 I 4.6762 8.2992 116.9660 58.6005 41.9301 172.2729 79 P 4.7939 0.0000 0.0000 62.2837 32.1976 178.3486 80 C 4.0712 8.9013 119.9228 59.9527 38.1386 176.8502 81 S 3.9319 7.8457 115.2573 61.1493 62.4870 176.0665 82 A 4.0352 7.7879 124.4568 55.0397 17.5267 179.0995 83 L 4.1936 7.9652 116.3917 56.4059 41.5111 178.2024 84 L 4.9367 7.3996 117.6997 54.3421 42.1946 176.6565 85 S 4.4123 7.5842 114.6606 57.7522 62.8453 174.5341 86 S 4.2765 8.5731 120.4234 60.6758 63.1264 173.7294 87 D 4.6022 8.1139 121.0170 53.3769 40.1548 176.5698 88 I 3.8564 8.3005 127.8013 62.6651 37.0123 177.8219 89 T 3.6057 7.8500 117.6158 66.6907 68.2851 175.9446 90 A 3.9369 7.8699 121.6813 55.2749 18.4744 179.4232 91 S 4.0489 8.0467 113.1610 62.0172 63.0625 177.1732 92 V 3.3642 7.8155 120.7605 65.7865 31.0356 177.9106 93 N 4.1800 8.5650 116.6810 56.2837 38.3319 176.5411 94 C 4.2055 8.3842 119.8675 59.6817 44.0286 175.2789 95 A 4.1018 8.0581 122.3159 55.4497 17.7816 179.8159 96 K 4.0170 7.7874 116.3823 59.2625 31.7482 179.5121 97 K 4.0128 7.5800 119.3633 59.5699 32.2016 178.6482 98 I 3.1782 7.3948 119.2351 64.1286 37.2064 178.3468 99 V 4.0004 8.0469 119.3964 65.3939 32.4527 176.7188 100 S 4.8639 7.7861 114.6205 57.5469 60.6609 173.5924 *104 G 4.6328 7.9886 117.5969 45.5018 0.0000 174.5560 105 M 4.0056 8.8344 124.0199 56.2678 31.7114 177.6484 106 N 4.5473 8.3898 115.7697 56.0227 38.8900 175.9522 107 A 3.8692 7.3415 119.5032 54.2522 18.6921 178.0152 108 W 4.4974 8.3909 116.8643 55.7474 29.0562 177.1868 109 V 3.6892 8.4200 124.6792 65.7793 31.1273 177.5401 110 A 3.8712 8.0823 120.0444 54.7787 18.2876 178.8180 111 W 4.1202 8.4142 126.5602 60.9885 30.3897 177.8014 112 R 3.2421 8.1076 116.6822 59.2195 29.5285 177.5152 113 N 4.4823 7.6910 114.1653 54.4236 39.0275 176.6401 114 R 4.3296 7.6405 117.1604 55.8204 32.1900 175.4492 115 C 4.6829 7.2759 113.3546 58.0494 42.3550 173.9131 116 K 3.4254 6.4633 119.6538 57.9417 31.8922 174.6249 117 G 4.1719 9.0589 115.9594 46.3537 0.0000 173.7557 118 T 4.0890 6.9773 108.2066 61.0753 69.7262 175.1616 119 D 4.7020 8.3059 119.6987 53.5962 37.9876 176.6367 120 V 4.0109 7.8513 116.5528 63.7648 32.0944 177.4026 121 Q 4.1134 8.3272 119.0695 59.0198 28.5851 177.8354 122 A 4.0705 8.3550 121.7491 54.4530 18.1054 179.1362 123 W 4.3005 8.2094 116.5225 58.2119 29.1523 176.8954 124 I 4.5461 7.4182 111.2564 60.2230 37.4010 175.7672 125 R 3.8319 7.5302 120.4798 58.2443 30.0461 176.8054 126 G 3.8802 8.7981 110.3230 46.7073 0.0000 174.1108 127 C 4.4473 8.2443 122.1873 56.7358 41.4634 173.7302 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 K 8.17 4.20 0.00 1.78 1.77 0.00 1.30 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.91 1.17 7.81 2 V 8.37 4.47 2.12 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 0.95 0.00 0.00 0.98 0.00 0.00 3 F 9.19 4.34 0.00 2.95 2.86 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 4 G 9.25 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 5 R 8.61 3.25 0.00 1.98 1.96 0.00 3.64 0.00 0.00 3.68 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.91 0.00 6 C 8.05 4.31 0.00 3.00 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 7 E 8.12 3.91 0.00 2.06 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 0.00 2.68 2.44 0.00 8 L 8.19 3.50 0.00 1.45 1.21 0.22 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.94 3.94 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 10 A 8.31 3.97 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 11 A 7.81 3.99 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 12 M 8.42 3.86 0.00 1.87 2.14 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 13 K 8.09 3.86 0.00 1.94 1.78 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 14 R 7.57 3.87 0.00 1.97 2.02 0.00 3.26 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 1.50 1.60 0.00 15 H 7.85 4.56 0.00 3.02 3.14 0.00 5.78 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.55 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 0.00 0.00 0.00 17 L 7.72 3.40 0.00 1.47 0.77 0.31 -0.72 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 18 D 8.00 4.72 0.00 2.65 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 19 N 9.33 4.38 0.00 2.96 2.94 0.00 0.00 7.02 7.84 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 20 Y 8.32 4.12 0.00 3.13 2.91 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 21 R 8.88 3.41 0.00 2.03 1.90 0.00 3.35 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.71 0.00 22 G 8.27 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 7.73 4.56 0.00 3.49 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 24 S 8.83 4.56 0.00 3.99 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 9.30 4.22 0.00 2.00 1.80 0.97 0.96 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 26 G 8.55 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 0.00 0.00 0.00 27 N 8.25 4.50 0.00 2.86 2.57 0.00 0.00 6.99 6.96 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 28 W 7.96 3.74 0.00 3.41 2.98 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 0.00 0.00 0.00 29 V 7.83 3.60 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 1.23 0.00 0.00 1.03 0.00 0.00 30 C 8.18 2.84 0.00 2.32 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 A 7.95 3.90 0.80 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 0.00 0.00 0.00 0.00 0.00 32 A 7.75 4.22 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 33 K 7.91 2.60 0.00 1.26 1.09 0.00 0.61 0.00 0.00 1.43 0.00 0.00 3.01 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.52 0.34 7.81 34 F 7.44 4.34 0.00 3.03 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 35 E 8.22 4.33 0.00 2.14 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 0.00 2.64 2.78 0.00 36 S 7.78 4.52 0.00 4.11 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 37 N 8.63 3.70 0.00 2.68 2.76 0.00 0.00 7.17 7.08 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 38 F 7.73 3.99 0.00 3.50 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 39 N 8.14 4.86 0.00 2.81 2.84 0.00 0.00 6.96 6.74 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 40 T 8.83 4.01 4.48 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 0.00 0.00 0.00 1.56 0.00 0.00 41 Q 8.50 4.65 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 42 A 8.19 4.29 1.40 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 43 T 8.38 5.01 4.04 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 1.28 0.00 0.00 44 N 8.89 4.85 0.00 2.74 2.60 0.00 0.00 7.18 7.34 0.00 0.00 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 R 8.69 4.34 0.00 1.71 1.84 0.00 3.39 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 46 N 9.17 4.93 0.00 2.87 2.71 0.00 0.00 6.34 7.06 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 47 T 8.55 3.87 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 48 D 7.98 4.39 0.00 2.76 2.80 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 0.00 0.00 0.00 49 G 7.98 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 50 S 7.85 4.67 0.00 3.93 3.95 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 0.00 0.00 0.00 51 T 8.69 5.02 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 0.66 0.00 0.00 52 D 9.07 5.22 0.00 2.49 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 53 Y 8.95 4.89 0.00 2.96 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 54 G 9.63 4.69 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 0.00 0.00 0.00 55 I 8.30 4.29 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.33 0.93 0.00 0.00 56 L 7.87 4.69 0.00 1.75 1.91 0.74 0.29 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 57 Q 7.87 3.49 0.00 2.52 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 58 I 7.84 4.11 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.99 1.02 0.00 0.00 59 N 9.14 5.48 0.00 2.99 3.05 0.00 0.00 6.97 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 60 S 9.11 4.68 0.00 4.01 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 0.00 61 R 8.38 3.64 0.00 1.72 1.88 0.00 2.43 0.00 0.00 2.78 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 62 W 7.96 4.20 0.00 1.89 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 0.00 0.00 0.00 0.00 63 W 8.09 4.94 0.00 3.51 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 64 C 8.15 5.66 0.00 3.10 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 65 N 8.66 5.28 0.00 2.88 2.68 0.00 0.00 7.10 8.40 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 66 D 8.76 4.65 0.00 2.79 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 67 G 8.50 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 68 R 8.54 4.57 0.00 1.89 1.95 0.00 3.06 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 69 T 7.74 4.36 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 1.18 0.00 0.00 70 P 0.00 4.19 0.00 1.98 1.98 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 71 G 8.98 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 72 S 7.17 4.29 0.00 4.01 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 73 R 8.34 4.58 0.00 1.91 1.86 0.00 3.27 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.85 0.00 74 N 8.00 4.97 0.00 2.72 2.63 0.00 0.00 6.88 6.66 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 75 L 8.85 4.07 0.00 1.58 1.81 0.46 1.01 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 76 C 8.69 4.48 0.00 3.35 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 77 N 8.18 4.13 0.00 2.84 2.86 0.00 0.00 6.83 7.47 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 78 I 8.30 4.68 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 1.30 1.14 0.96 0.00 0.00 79 P 0.00 4.79 0.00 2.16 1.90 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 80 C 8.90 4.07 0.00 2.05 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 81 S 7.85 3.93 0.00 4.03 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 82 A 7.79 4.04 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 83 L 7.97 4.19 0.00 1.99 1.83 1.04 0.65 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 84 L 7.40 4.94 0.00 1.92 1.75 1.29 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.58 4.41 0.00 3.80 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 86 S 8.57 4.28 0.00 4.01 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 87 D 8.11 4.60 0.00 2.69 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 88 I 8.30 3.86 1.66 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 1.80 0.15 0.68 0.00 0.00 89 T 7.85 3.61 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 1.22 0.00 0.00 90 A 7.87 3.94 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 91 S 8.05 4.05 0.00 3.93 3.88 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 92 V 7.82 3.36 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 0.69 0.00 0.00 0.68 0.00 0.00 93 N 8.56 4.18 0.00 2.75 2.79 0.00 0.00 6.63 7.60 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 94 C 8.38 4.21 0.00 3.11 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 95 A 8.06 4.10 1.47 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 0.00 0.00 96 K 7.79 4.02 0.00 1.73 1.43 0.00 1.21 0.00 0.00 0.87 0.00 0.00 2.13 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.30 0.90 7.81 97 K 7.58 4.01 0.00 1.75 2.02 0.00 1.97 0.00 0.00 2.14 0.00 0.00 3.16 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.68 1.69 7.81 98 I 7.39 3.18 1.68 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.18 0.00 0.00 99 V 8.05 4.00 2.65 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 1.33 0.00 0.00 1.34 0.00 0.00 100 S 7.79 4.86 0.00 4.11 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 *104 G 7.99 4.63 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 0.00 0.00 0.00 105 M 8.83 4.01 0.00 0.51 0.57 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 1.00 0.99 0.00 106 N 8.39 4.55 0.00 2.80 3.02 0.00 0.00 6.92 7.35 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 0.00 107 A 7.34 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 W 8.39 4.50 0.00 3.34 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 0.00 109 V 8.42 3.69 2.13 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 1.10 0.00 0.00 0.96 0.00 0.00 110 A 8.08 3.87 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 0.00 111 W 8.41 4.12 0.00 3.32 3.48 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 0.00 0.00 0.00 0.00 112 R 8.11 3.24 0.00 2.24 2.08 0.00 3.32 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.07 0.00 113 N 7.69 4.48 0.00 2.68 2.73 0.00 0.00 6.88 8.73 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 0.00 114 R 7.64 4.33 0.00 1.22 1.38 0.00 2.75 0.00 0.00 2.95 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.04 0.00 115 C 7.28 4.68 0.00 2.24 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 0.00 116 K 6.46 3.43 0.00 0.79 1.08 0.00 1.31 0.00 0.00 1.49 0.00 0.00 3.20 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.20 1.14 7.81 117 G 9.06 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 0.00 118 T 6.98 4.09 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 1.25 0.00 0.00 119 D 8.31 4.70 0.00 2.83 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 0.00 120 V 7.85 4.01 2.37 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 1.02 0.00 0.00 1.14 0.00 0.00 121 Q 8.33 4.11 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 122 A 8.35 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 0.00 123 W 8.21 4.30 0.00 3.55 3.43 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 0.00 0.00 0.00 0.00 124 I 7.42 4.55 1.93 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 1.45 0.84 1.02 0.00 0.00 125 R 7.53 3.83 0.00 1.90 1.91 0.00 3.22 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 126 G 8.80 3.88 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 0.00 0.00 0.00 127 C 8.24 4.45 0.00 3.07 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 * Residues marked with a * may have inaccurate shift predictions.