NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.6708 8.3549 109.7299 46.5202 0.0000 170.7729 0 S 3.2573 8.5739 121.5107 57.4954 59.4454 168.5943 1 M 4.1349 8.9707 126.5508 54.9205 33.4042 175.3911 2 T 4.6839 8.2009 123.4286 62.4591 69.5552 174.1432 3 V 4.4888 8.0476 126.1984 61.4024 34.1503 173.6144 4 Y 4.8735 8.6623 125.2464 56.3573 40.2974 174.5840 5 I 4.9653 9.2438 124.7468 59.9720 40.4226 174.3954 6 C 5.0176 9.5195 125.4810 57.0828 29.4291 173.1909 7 P 4.4250 0.0000 0.0000 64.8291 31.1610 178.0531 8 E 4.1435 8.0287 116.3541 58.3154 30.0591 177.4509 9 T 4.5146 7.8336 108.2490 60.2452 70.4424 174.7777 10 G 4.2774 7.8506 113.3580 45.4557 0.0000 172.3714 11 D 4.6147 8.7448 118.3663 53.0828 44.5659 177.0484 12 D 4.3242 8.9531 125.1162 56.8228 41.3891 176.9830 13 G 3.9621 8.8496 106.6034 45.4083 0.0000 173.3951 14 N 4.7833 7.7342 117.7372 52.1363 40.1830 174.4338 15 D 4.5276 8.6182 117.2520 54.8757 41.4255 176.8258 16 G 3.8409 8.0651 107.7020 46.6885 0.0000 173.8081 17 S 5.1764 7.7714 114.8263 56.1238 65.2226 174.4073 18 E 3.4760 8.1518 120.1161 58.5923 29.3395 177.5715 19 L 4.3294 7.7401 117.4686 56.1952 42.6764 176.9938 20 K 4.6536 7.8152 117.8789 53.6733 32.4896 173.7441 21 P 5.0664 0.0000 0.0000 61.7695 32.8298 177.2803 22 L 5.4226 9.0367 120.4570 54.0112 42.5245 177.6159 23 R 4.7982 8.4499 113.4369 56.3039 29.7986 176.3515 24 T 4.7545 7.3588 114.7149 61.3794 74.0304 174.2610 25 L 4.1765 8.5687 125.1083 57.6436 42.1643 178.5204 26 Y 4.0816 8.0871 119.5452 60.9574 38.6853 177.8854 27 Q 4.1412 8.3296 119.5347 58.8711 28.7138 177.6738 28 A 4.0466 7.4406 122.5421 55.4688 18.3665 179.5479 29 M 4.0315 7.7908 116.7425 58.1873 31.7332 179.1806 30 I 3.9556 7.4114 119.1217 64.6566 37.4520 178.1297 31 I 3.9085 7.8919 119.5502 64.1181 36.9745 177.7873 32 T 4.2948 7.6377 108.2103 61.7897 69.6097 175.3763 33 K 4.0899 8.2145 119.8160 57.1482 30.7125 176.0234 34 S 4.2585 8.0376 114.5378 58.2883 63.4074 176.4459 35 S 3.4518 8.3320 119.6803 59.5524 61.0119 173.0395 36 K 4.4115 7.6753 114.6104 56.3922 32.6839 176.9422 37 G 3.3718 7.1880 109.9125 45.2920 0.0000 172.2010 38 D 4.3884 7.7432 119.4668 53.1051 42.3471 175.8167 39 F 5.2598 8.4241 124.6835 55.5627 42.6024 174.0086 40 L 5.2657 8.8018 124.0153 52.9584 44.5832 175.4284 41 I 5.2949 9.1022 124.9788 59.4526 40.1026 174.8796 42 R 4.4528 9.3390 128.3870 56.3909 30.4693 175.4521 43 T 4.6814 9.1529 120.7791 60.1736 71.3442 172.6773 44 K 4.8104 8.5730 125.3835 54.7427 33.7330 175.7826 45 K 4.3235 9.1229 127.7616 55.2650 33.6165 175.4355 46 D 4.2758 9.7227 125.7234 55.3114 39.3753 174.4327 47 G 3.9749 8.6240 105.2364 44.3800 0.0000 173.9178 48 K 4.7037 7.6801 119.7796 54.2692 34.9627 175.4567 49 Q 4.6208 8.5031 122.8054 56.0690 29.4763 175.4869 50 V 4.4015 8.9692 116.6730 59.0794 36.7444 174.3243 51 W 5.3100 8.6377 121.8403 55.7706 30.2737 175.5714 52 E 4.8897 9.5701 126.0505 53.8911 32.0756 174.8813 53 A 4.6771 8.7312 128.1603 51.7066 19.0283 177.2169 54 A 4.1810 9.0759 125.2019 52.3658 19.4004 177.0512 55 S 4.7658 8.4880 114.2082 56.3154 64.7591 175.3591 56 K 4.2256 8.5513 124.1521 59.5218 31.6412 179.8179 57 T 3.8476 7.8598 109.6368 64.9208 68.8733 176.4689 58 A 4.0579 7.9479 123.6960 54.2873 18.4421 179.3897 59 L 3.8874 8.4958 117.9130 58.1424 41.7471 180.0170 60 K 4.1646 8.3149 118.3992 59.2717 31.6934 179.3788 61 K 4.0615 7.8689 119.4261 59.4552 31.9426 178.7593 62 S 4.4716 8.1508 115.6326 61.2182 62.9153 176.3893 63 W 4.1622 8.8054 131.4442 59.9428 30.2480 177.8787 64 K 3.9440 8.6648 120.5177 59.6329 31.5684 178.6783 65 R 4.3549 8.0319 119.7329 58.7223 30.0026 177.5370 66 Y 3.8299 7.5885 120.4988 59.8432 38.5341 177.9381 67 E 3.8295 8.0333 119.4327 59.4819 28.3823 179.2349 68 Q 3.9587 7.6379 117.7699 59.1355 28.8568 179.0744 69 E 4.1328 8.1991 119.1937 59.8102 29.6193 179.3157 70 M 3.9769 8.0443 118.9290 57.8085 31.7583 178.7349 71 L 4.0417 7.9057 120.6628 58.0774 42.4053 178.4281 72 K 3.9645 7.3840 116.6034 57.1429 32.1144 175.4150 73 N 3.9983 7.2217 116.8067 53.9026 36.6215 173.0045 74 E 4.4995 8.5619 122.3322 54.4790 31.6040 177.4975 75 K 4.3239 8.1084 120.6490 55.0449 30.5689 176.2784 76 V 3.9453 7.7087 120.5479 61.1184 33.8192 172.0310 77 A 3.3564 8.0229 126.2244 51.5994 14.7988 176.5660 78 A 4.1683 8.0856 123.6553 51.5722 17.5624 176.5495 79 K 4.1537 8.3978 122.7612 57.3194 32.3972 175.1811 80 M 4.3832 8.4037 124.1063 55.6269 34.3391 172.1337 81 L 3.5990 7.7869 124.6966 54.0697 42.1923 174.0088 82 E 4.6332 8.4649 120.5350 54.4388 30.9856 175.5049 83 K 4.0961 8.0120 120.3226 56.7371 32.8947 176.2620 84 D 4.4338 7.3086 116.7451 54.3338 43.8759 176.3009 85 A 4.6264 8.4915 127.4216 52.0204 19.7631 175.8837 86 T 4.3617 8.6261 111.5176 61.8584 69.4135 173.8260 87 E 4.6032 8.6256 124.5844 54.3153 31.6122 175.9193 88 V 4.2800 8.5702 115.2842 58.9712 34.1277 175.0637 89 G 4.6649 7.7905 117.4935 45.7871 0.0000 172.4984 90 V 4.4279 7.8225 121.9922 60.4214 34.0915 173.2115 91 K 4.5885 8.4741 121.7936 54.3942 34.9050 175.2938 92 A 4.3798 8.3803 124.1182 51.0944 19.8599 176.8172 93 A 4.5984 8.3555 125.8712 50.7801 20.3544 176.3053 94 L 4.6415 7.9530 121.0354 54.6641 43.3444 174.3136 95 E 4.7146 8.1656 115.9132 54.3970 32.6317 174.6659 96 E 4.1590 8.5594 120.4975 55.7192 30.5649 176.3930 97 A 4.4409 8.2352 126.8392 50.8705 20.4454 175.4188 98 K 4.6839 8.3619 119.7089 55.3763 35.8967 176.1764 99 K 4.6085 8.3002 119.7476 54.9753 34.2213 176.3535 100 V 4.5056 7.7396 118.2368 60.1493 34.2528 174.6760 101 Q 4.2918 8.5969 121.6244 54.8453 29.5662 175.5118 102 I 4.3217 8.1432 115.9234 58.9982 38.4385 174.3149 103 E 4.3818 8.6275 125.8713 55.1921 30.1911 176.2168 104 L 4.8368 8.1013 123.3298 52.7787 44.6609 176.6017 105 D 4.3810 8.7969 121.2853 57.9103 40.9071 178.6518 106 T 3.5249 7.7928 105.4719 62.5676 67.6186 172.8938 107 S 4.1000 8.2143 116.7547 59.2677 62.8707 170.3729 108 L 3.6041 7.9258 124.7207 54.3680 38.3101 174.1937 109 S 4.1949 8.6478 120.3149 60.3732 63.1302 174.1189 110 Y 4.5523 7.8078 120.8666 55.6689 38.0723 174.9293 111 I 3.9048 7.5436 125.0736 60.7868 38.3470 174.6793 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 G 8.35 3.67 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 0.00 0.00 0.00 0 S 8.57 3.26 0.00 4.02 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 1 M 8.97 4.13 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 2 T 8.20 4.68 3.98 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 0.42 0.00 0.00 3 V 8.05 4.49 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 1.28 0.00 0.00 1.20 0.00 0.00 4 Y 8.66 4.87 0.00 2.88 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 0.00 0.00 0.00 5 I 9.24 4.97 2.05 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 1.31 0.93 1.07 0.00 0.00 6 C 9.52 5.02 0.00 2.91 2.89 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 7 P 0.00 4.43 0.00 2.07 2.15 0.00 3.72 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 2.07 2.14 0.00 8 E 8.03 4.14 0.00 2.07 2.03 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 2.27 2.29 0.00 9 T 7.83 4.51 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 10 G 7.85 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 11 D 8.74 4.61 0.00 2.71 2.66 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 0.00 0.00 0.00 0.00 12 D 8.95 4.32 0.00 2.69 2.71 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 13 G 8.85 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.73 4.78 0.00 2.87 2.94 0.00 0.00 7.37 8.11 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 15 D 8.62 4.53 0.00 2.70 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.07 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 0.00 0.00 0.00 17 S 7.77 5.18 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 18 E 8.15 3.48 0.00 1.16 1.60 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 0.00 2.31 2.32 0.00 19 L 7.74 4.33 0.00 1.68 1.71 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.82 4.65 0.00 1.83 1.73 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.36 7.81 21 P 0.00 5.07 0.00 2.57 2.55 0.00 3.94 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 22 L 9.04 5.42 0.00 1.81 1.72 0.98 1.10 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 23 R 8.45 4.80 0.00 1.90 2.04 0.00 3.07 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.76 0.00 24 T 7.36 4.75 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 1.30 0.00 0.00 25 L 8.57 4.18 0.00 1.78 1.69 0.73 0.86 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 26 Y 8.09 4.08 0.00 3.11 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 27 Q 8.33 4.14 0.00 2.47 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.05 0.00 0.00 0.00 0.00 0.00 2.75 2.55 0.00 28 A 7.44 4.05 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 29 M 7.79 4.03 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 30 I 7.41 3.96 2.04 0.00 0.00 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 1.21 0.52 0.92 0.00 0.00 31 I 7.89 3.91 1.95 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 1.63 0.80 0.96 0.00 0.00 32 T 7.64 4.29 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 1.38 0.00 0.00 33 K 8.21 4.09 0.00 1.99 1.96 0.00 1.88 0.00 0.00 1.85 0.00 0.00 3.28 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.42 1.58 7.81 34 S 8.04 4.26 0.00 3.88 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 35 S 8.33 3.45 0.00 3.52 3.18 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 36 K 7.68 4.41 0.00 1.78 1.77 0.00 1.48 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.31 7.81 37 G 7.19 3.37 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 0.00 38 D 7.74 4.39 0.00 2.58 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 0.00 0.00 0.00 0.00 39 F 8.42 5.26 0.00 2.94 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 40 L 8.80 5.27 0.00 1.07 1.69 0.81 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 41 I 9.10 5.29 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.78 1.08 0.00 0.00 42 R 9.34 4.45 0.00 0.74 1.58 0.00 2.54 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.76 0.00 43 T 9.15 4.68 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 1.27 0.00 0.00 44 K 8.57 4.81 0.00 1.61 1.70 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.39 7.81 45 K 9.12 4.32 0.00 1.68 1.62 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.33 7.81 46 D 9.72 4.28 0.00 2.81 2.70 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 0.00 0.00 0.00 0.00 47 G 8.62 3.97 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 0.00 0.00 0.00 48 K 7.68 4.70 0.00 1.81 1.65 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.33 7.81 49 Q 8.50 4.62 0.00 1.79 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.76 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 50 V 8.97 4.40 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 0.66 0.00 0.00 0.95 0.00 0.00 51 W 8.64 5.31 0.00 3.28 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 52 E 9.57 4.89 0.00 2.03 1.84 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 2.25 2.28 0.00 53 A 8.73 4.68 1.26 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 0.00 0.00 0.00 54 A 9.08 4.18 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 55 S 8.49 4.77 0.00 3.88 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 56 K 8.55 4.23 0.00 1.84 1.84 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.51 7.81 57 T 7.86 3.85 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 1.23 0.00 0.00 58 A 7.95 4.06 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 59 L 8.50 3.89 0.00 1.81 1.71 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.31 4.16 0.00 1.84 1.93 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 61 K 7.87 4.06 0.00 1.89 2.05 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.66 7.81 62 S 8.15 4.47 0.00 4.17 4.10 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 63 W 8.81 4.16 0.00 3.38 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 64 K 8.66 3.94 0.00 2.10 2.02 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.65 7.81 65 R 8.03 4.35 0.00 1.96 2.27 0.00 2.70 0.00 0.00 2.87 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 66 Y 7.59 3.83 0.00 2.49 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 0.00 0.00 0.00 67 E 8.03 3.83 0.00 2.19 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 0.00 2.34 2.53 0.00 68 Q 7.64 3.96 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.67 0.00 69 E 8.20 4.13 0.00 1.98 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 2.40 2.29 0.00 70 M 8.04 3.98 0.00 1.83 1.93 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 2.01 0.00 71 L 7.91 4.04 0.00 1.55 1.85 0.95 0.56 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 72 K 7.38 3.96 0.00 2.02 1.84 0.00 1.78 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.41 7.81 73 N 7.22 4.00 0.00 3.00 2.79 0.00 0.00 7.12 7.51 0.00 0.00 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 E 8.56 4.50 0.00 1.96 1.84 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 2.25 2.22 0.00 75 K 8.11 4.32 0.00 1.72 1.75 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.39 7.81 76 V 7.71 3.95 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 0.74 0.00 0.00 0.95 0.00 0.00 77 A 8.02 3.36 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 78 A 8.09 4.17 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 4.15 0.00 1.74 1.76 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 80 M 8.40 4.38 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.74 0.00 81 L 7.79 3.60 0.00 1.81 1.70 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.46 4.63 0.00 2.07 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 2.21 2.31 0.00 83 K 8.01 4.10 0.00 1.78 1.81 0.00 1.82 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.38 7.81 84 D 7.31 4.43 0.00 2.57 2.47 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 85 A 8.49 4.63 1.22 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 86 T 8.63 4.36 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 1.23 0.00 0.00 87 E 8.63 4.60 0.00 2.07 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 0.00 2.17 2.23 0.00 88 V 8.57 4.28 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 0.82 0.00 0.00 0.93 0.00 0.00 89 G 7.79 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.82 4.43 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 0.64 0.00 0.00 0.93 0.00 0.00 91 K 8.47 4.59 0.00 1.73 1.73 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.33 7.81 92 A 8.38 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.36 4.60 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 94 L 7.95 4.64 0.00 1.71 1.61 0.92 0.55 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 95 E 8.17 4.71 0.00 2.02 1.89 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 2.16 2.27 0.00 96 E 8.56 4.16 0.00 1.93 1.88 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 2.27 2.36 0.00 97 A 8.24 4.44 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 98 K 8.36 4.68 0.00 1.70 1.68 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.32 1.36 7.81 99 K 8.30 4.61 0.00 1.71 1.73 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.46 7.81 100 V 7.74 4.51 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 0.84 0.00 0.00 0.93 0.00 0.00 101 Q 8.60 4.29 0.00 2.06 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 102 I 8.14 4.32 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 1.41 0.67 0.91 0.00 0.00 103 E 8.63 4.38 0.00 1.96 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 2.38 0.00 104 L 8.10 4.84 0.00 1.60 1.55 0.92 1.12 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 0.00 105 D 8.80 4.38 0.00 2.65 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 0.00 106 T 7.79 3.52 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 1.22 0.00 0.00 107 S 8.21 4.10 0.00 3.85 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 0.00 108 L 7.93 3.60 0.00 1.85 1.76 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.65 4.19 0.00 3.91 3.96 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 0.00 0.00 0.00 0.00 110 Y 7.81 4.55 0.00 2.85 2.89 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 0.00 111 I 7.54 3.90 1.81 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 1.19 0.94 0.91 0.00 0.00