NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.3477 8.1776 115.4175 58.6714 64.5134 174.1453 9 T 3.1876 9.0727 107.7752 62.2553 67.8265 170.0607 10 G 4.0468 8.2776 109.8279 46.8831 0.0000 176.2512 11 F 4.8027 8.0925 128.7593 58.1382 38.6497 175.1804 12 L 4.2057 7.9755 120.0117 52.6283 42.8019 176.6432 13 V 3.6515 7.8992 120.8762 61.9456 31.7140 177.2410 14 K 4.2616 8.4695 122.6212 55.9480 33.9774 178.1729 15 Q 3.8644 8.4699 121.5376 59.4390 29.0392 178.4433 16 R 3.9920 8.0967 116.5244 59.2730 29.3097 178.5093 17 A 4.0694 8.0650 120.9933 54.9289 18.3694 179.0527 18 F 3.9914 8.1628 118.8542 61.4653 39.3751 177.3666 19 L 4.2442 8.6711 118.8022 57.8330 41.5396 179.2205 20 K 3.9376 8.8622 119.1487 59.7621 32.1279 178.3685 21 L 3.8105 8.1266 120.3393 58.7561 41.7719 178.5421 22 Y 3.9326 7.6408 116.1748 61.3636 37.8715 178.6413 23 M 4.0280 8.3130 119.4585 58.6044 32.2533 178.7300 24 I 3.8359 7.9099 119.6059 65.0201 36.9585 178.6965 25 T 4.2563 7.9277 117.6199 66.5068 68.1782 176.8395 26 M 3.9415 8.4919 120.9020 58.4861 31.6990 178.9106 27 T 3.9047 8.3147 115.7948 66.6318 68.7966 175.8487 28 E 4.3632 8.2644 120.1077 59.2908 29.2547 178.9037 29 Q 4.5244 7.4752 115.7294 56.2138 30.4308 174.5193 30 E 4.6732 8.3532 118.3316 54.5584 33.1958 173.2836 31 R 4.6986 8.4484 119.8141 54.6556 31.4839 175.2566 32 L 5.1146 8.5886 124.8720 53.1421 46.5498 174.4841 33 Y 5.1392 7.7574 117.7325 54.5291 41.9237 175.3901 34 G 3.6727 9.6822 104.2025 49.0980 0.0000 175.3895 35 L 3.9331 8.1145 120.3886 56.9693 41.8127 179.1027 36 K 3.6184 7.1025 119.3562 58.8087 31.9786 177.9433 37 L 3.7676 7.7547 120.1332 58.2404 42.0481 178.9445 38 L 3.7964 7.8513 119.9770 58.5378 41.9577 178.9993 39 E 3.9784 7.9360 117.8435 59.1525 29.2403 179.5222 40 V 3.5218 7.9589 118.6819 65.9346 31.5765 178.1827 41 L 3.9225 8.2358 119.1072 57.6990 41.2426 179.4798 42 R 3.7744 8.1688 117.1810 59.5520 30.3301 178.5773 43 S 4.1009 8.1339 112.6270 61.3396 62.1591 175.4702 44 E 3.6652 8.0747 121.8885 59.2693 29.5986 178.5014 45 F 4.6066 8.3491 116.3268 58.7736 39.1807 178.8118 46 K 4.3592 7.7957 120.0398 60.0475 32.1482 176.7199 47 E 3.9898 8.3978 118.5115 58.4605 30.2253 177.4487 48 I 3.7513 7.7965 121.3069 65.3146 37.5808 176.9695 49 G 4.1827 8.1116 106.5254 46.1941 0.0000 172.7936 50 F 4.7622 8.2556 122.3142 56.5553 39.9330 175.9334 51 K 4.1560 8.1013 127.2587 53.5606 32.3481 173.8170 52 P 4.2580 0.0000 0.0000 63.1935 31.7769 177.1371 53 N 4.7839 8.2645 118.3491 51.8880 40.4687 175.9557 54 H 4.0966 8.5201 116.2734 59.0992 28.7973 177.5135 55 T 3.8745 7.4388 115.4338 64.4587 67.1728 175.5872 56 E 3.9057 8.9462 121.9427 59.2065 29.7021 178.8127 57 V 3.5321 7.2929 117.2870 66.4633 31.6010 177.6884 58 Y 4.3213 8.0240 116.1910 60.8628 37.6014 178.5562 59 R 3.9444 8.2124 119.4613 59.2010 30.3859 178.7802 60 S 4.1700 8.1412 114.8135 61.9276 62.9761 177.1590 61 L 3.8344 7.9711 121.0833 58.3259 41.3407 179.5173 62 H 4.5070 8.1333 115.6996 58.6701 28.4524 177.5578 63 E 3.9714 8.3952 120.8075 59.5002 29.3388 179.0615 64 L 3.4760 7.9162 118.4134 58.2362 41.5881 179.6888 65 L 4.2913 7.9716 118.9501 57.9596 41.4655 179.0521 66 D 4.2278 8.4106 118.9053 57.4772 40.6354 178.2003 67 D 4.5777 9.0938 119.0669 54.3953 40.5011 177.5878 68 G 4.0506 8.7108 108.6832 46.4371 0.0000 175.8843 69 I 3.8479 7.5093 122.9743 63.6746 37.9366 176.0384 70 L 5.5095 8.1570 119.0961 52.7841 45.1427 175.6231 71 K 4.7779 9.1146 118.3068 55.7217 36.3579 175.3036 72 Q 4.5833 8.4790 119.5126 54.7428 30.7093 175.2836 73 I 4.5671 7.9821 121.5901 59.1614 41.6819 175.5692 74 K 4.6163 8.4425 124.8377 56.7897 32.8452 177.5581 75 V 3.8650 7.7441 114.5514 61.5323 33.1429 174.8485 76 K 4.9533 8.3504 119.9146 54.0249 34.4294 176.7288 77 K 3.9869 8.5127 128.0835 55.1650 31.9687 176.1675 78 E 3.9338 8.9827 128.3181 56.0207 29.5610 177.7690 79 G 4.0243 7.6696 110.6441 45.6368 0.0000 173.3334 80 A 4.6986 7.6376 122.2161 50.3003 22.1122 176.5421 81 K 4.8129 7.7501 116.3955 55.6420 33.8662 177.1346 82 L 4.8001 8.1477 116.1345 55.0195 41.9364 175.5432 83 Q 4.7109 7.8210 119.8636 54.0507 31.8189 176.1297 84 E 4.4313 8.6411 121.9431 56.4193 30.4953 176.4987 85 V 4.1979 8.1999 123.4315 61.5154 35.0001 174.0489 86 V 4.0708 8.4585 128.4198 62.3761 31.8137 175.3732 87 L 4.9452 8.7210 128.9978 54.1310 43.9302 175.3413 88 Y 5.1843 8.4061 117.4015 56.4254 41.0451 175.2506 89 Q 4.5521 8.7258 119.9815 54.1771 33.1097 173.9366 90 F 4.7307 8.6381 118.4056 58.0736 39.1200 175.0913 91 K 4.2763 9.8225 126.2594 57.9436 32.8713 176.7077 92 D 4.8331 7.9532 126.8657 52.0823 41.7057 175.5737 93 Y 3.9143 8.3899 127.7492 59.7432 38.8182 176.9882 94 E 3.6795 8.2433 119.2945 59.3106 29.6946 178.4404 95 A 3.9407 8.2854 120.5504 55.3748 18.3146 179.5280 96 A 3.9369 7.7454 118.5992 55.3621 18.6683 179.6595 97 K 3.5366 7.4904 116.9297 59.6219 32.0914 179.1879 98 L 3.8653 7.9474 120.1323 58.4659 42.1299 178.4428 99 Y 4.2739 7.9914 119.4694 60.5206 38.6548 177.8598 100 K 3.7462 8.5603 121.1389 59.2782 32.2418 179.0200 101 K 3.8989 7.8922 118.4925 59.4004 31.8859 179.1174 102 Q 3.9545 7.9628 118.3643 59.2980 28.6336 179.4140 103 L 3.8206 7.6397 119.3950 56.9821 41.4404 179.5281 104 K 3.7897 7.7330 120.0767 59.3952 32.1985 178.7449 105 V 3.5333 7.5856 118.4714 66.1265 31.2857 177.5225 106 E 3.9210 8.3070 118.2771 59.7096 29.3878 179.4476 107 L 3.9622 8.0653 118.8001 57.8117 41.6595 179.3720 108 D 4.3100 8.4246 119.1644 57.4753 40.7832 179.0036 109 R 3.8884 7.9698 118.3159 59.3620 30.0774 179.0998 110 S 3.9445 8.1945 115.0726 61.5054 62.8308 176.4371 111 K 3.7311 8.3321 122.4249 59.5720 31.8111 178.1442 112 K 3.7807 7.8944 119.4510 59.6798 32.0470 178.2470 113 L 3.9269 8.1442 119.2014 58.0268 41.5873 179.5889 114 I 3.6670 7.5535 119.2725 64.6988 36.7728 178.5296 115 E 4.1957 8.5989 119.4922 58.8863 29.2001 179.4632 116 K 3.9528 8.4158 120.3131 59.2402 32.3165 178.6627 117 A 3.9869 8.4259 121.5009 55.2755 17.9724 179.4526 118 L 4.2355 8.5174 118.8527 57.7378 41.8147 179.0000 119 S 4.3188 7.4001 112.0984 60.9746 62.6902 175.5037 120 D 4.4454 7.8594 120.0868 57.6799 40.7489 178.3427 121 N 4.2333 7.8047 115.2617 54.8607 38.5324 175.3403 122 F 4.5742 7.2980 123.3183 57.5253 39.5782 174.8699 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 8 S 8.18 4.35 0.00 4.06 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 0.00 9 T 9.07 3.19 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 8.28 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.09 4.80 0.00 2.90 2.84 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 12 L 7.98 4.21 0.00 1.42 1.33 0.60 0.50 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 13 V 7.90 3.65 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 0.72 0.00 0.00 0.98 0.00 0.00 14 K 8.47 4.26 0.00 1.84 1.82 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.57 1.49 7.81 15 Q 8.47 3.86 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.18 0.00 16 R 8.10 3.99 0.00 2.19 2.24 0.00 3.16 0.00 0.00 3.62 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 17 A 8.07 4.07 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 18 F 8.16 3.99 0.00 3.17 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 19 L 8.67 4.24 0.00 1.94 1.80 1.01 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.86 3.94 0.00 2.17 2.24 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.56 1.78 7.81 21 L 8.13 3.81 0.00 1.59 1.64 0.72 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.64 3.93 0.00 3.20 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 23 M 8.31 4.03 0.00 2.02 2.27 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 2.56 2.48 0.00 24 I 7.91 3.84 2.12 0.00 0.00 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 1.80 1.24 1.08 0.00 0.00 25 T 7.93 4.26 4.19 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 1.25 0.00 0.00 26 M 8.49 3.94 0.00 2.06 2.32 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 27 T 8.31 3.90 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 0.53 0.00 0.00 28 E 8.26 4.36 0.00 2.45 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 0.00 2.64 3.01 0.00 29 Q 7.48 4.52 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 30 E 8.35 4.67 0.00 1.84 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 2.21 2.28 0.00 31 R 8.45 4.70 0.00 1.88 1.86 0.00 3.26 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 32 L 8.59 5.11 0.00 1.59 1.42 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 7.76 5.14 0.00 3.29 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 34 G 9.68 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 35 L 8.11 3.93 0.00 1.99 1.89 0.94 0.64 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 36 K 7.10 3.62 0.00 0.79 0.97 0.00 1.51 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.22 1.31 7.81 37 L 7.75 3.77 0.00 1.69 1.68 0.93 0.32 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 38 L 7.85 3.80 0.00 1.61 1.67 0.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.94 3.98 0.00 2.17 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 2.44 2.43 0.00 40 V 7.96 3.52 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 1.07 0.00 0.00 0.88 0.00 0.00 41 L 8.24 3.92 0.00 1.78 1.69 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.17 3.77 0.00 1.86 1.93 0.00 3.27 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 43 S 8.13 4.10 0.00 3.84 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 44 E 8.07 3.67 0.00 2.02 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 1.88 2.19 0.00 45 F 8.35 4.61 0.00 3.19 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 46 K 7.80 4.36 0.00 2.00 1.77 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.50 7.81 47 E 8.40 3.99 0.00 1.98 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 2.31 2.35 0.00 48 I 7.80 3.75 2.24 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.61 1.06 0.00 0.00 49 G 8.11 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 0.00 0.00 0.00 0.00 50 F 8.26 4.76 0.00 2.63 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 51 K 8.10 4.16 0.00 1.73 1.65 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.34 7.81 52 P 0.00 4.26 0.00 2.05 1.79 0.00 3.09 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 1.64 1.39 0.00 53 N 8.26 4.78 0.00 3.02 2.98 0.00 0.00 5.83 7.90 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 54 H 8.52 4.10 0.00 3.28 3.54 0.00 5.46 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.44 3.87 4.19 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 1.17 0.00 0.00 56 E 8.95 3.91 0.00 2.17 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 2.53 2.41 0.00 57 V 7.29 3.53 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 0.77 0.00 0.00 0.83 0.00 0.00 58 Y 8.02 4.32 0.00 3.08 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 59 R 8.21 3.94 0.00 2.16 2.01 0.00 3.21 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 60 S 8.14 4.17 0.00 3.99 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 61 L 7.97 3.83 0.00 1.93 1.68 0.65 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.13 4.51 0.00 3.29 3.39 0.00 5.64 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 63 E 8.40 3.97 0.00 2.22 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 2.36 2.59 0.00 64 L 7.92 3.48 0.00 1.93 1.80 0.95 0.55 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 65 L 7.97 4.29 0.00 2.04 1.77 1.08 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.41 4.23 0.00 2.75 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.09 4.58 0.00 2.55 2.60 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 0.00 0.00 0.00 68 G 8.71 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.51 3.85 2.07 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 1.31 0.79 1.18 0.00 0.00 70 L 8.16 5.51 0.00 1.69 1.88 0.89 0.55 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 71 K 9.11 4.78 0.00 1.75 1.88 0.00 1.34 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.41 7.81 72 Q 8.48 4.58 0.00 1.83 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.74 0.00 0.00 0.00 0.00 0.00 1.73 2.19 0.00 73 I 7.98 4.57 1.82 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 1.15 1.04 0.88 0.00 0.00 74 K 8.44 4.62 0.00 1.59 1.77 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.71 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.40 7.81 75 V 7.74 3.87 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 0.80 0.00 0.00 0.93 0.00 0.00 76 K 8.35 4.95 0.00 1.56 1.68 0.00 1.76 0.00 0.00 0.61 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.20 7.81 77 K 8.51 3.99 0.00 1.73 1.66 0.00 1.98 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.49 7.81 78 E 8.98 3.93 0.00 2.07 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 2.38 2.29 0.00 79 G 7.67 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 80 A 7.64 4.70 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 81 K 7.75 4.81 0.00 1.72 1.67 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.38 7.81 82 L 8.15 4.80 0.00 1.57 1.51 0.95 0.62 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 83 Q 7.82 4.71 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.33 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 84 E 8.64 4.43 0.00 1.84 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 2.27 2.27 0.00 85 V 8.20 4.20 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 -0.21 0.00 0.00 0.51 0.00 0.00 86 V 8.46 4.07 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 0.64 0.00 0.00 0.90 0.00 0.00 87 L 8.72 4.95 0.00 1.62 1.62 0.96 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.41 5.18 0.00 2.87 2.78 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 89 Q 8.73 4.55 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 90 F 8.64 4.73 0.00 3.08 3.13 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 0.00 0.00 0.00 0.00 91 K 9.82 4.28 0.00 1.84 2.19 0.00 1.99 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.43 7.81 92 D 7.95 4.83 0.00 2.60 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 93 Y 8.39 3.91 0.00 2.80 2.83 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 94 E 8.24 3.68 0.00 2.16 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 2.37 2.38 0.00 95 A 8.29 3.94 1.50 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 0.00 0.00 96 A 7.75 3.94 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 97 K 7.49 3.54 0.00 1.65 1.69 0.00 1.47 0.00 0.00 0.68 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.01 7.81 98 L 7.95 3.87 0.00 2.00 1.75 0.89 0.68 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 99 Y 7.99 4.27 0.00 3.08 3.09 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 0.00 0.00 0.00 0.00 100 K 8.56 3.75 0.00 1.85 1.85 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.36 7.81 101 K 7.89 3.90 0.00 2.00 1.79 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.62 7.81 102 Q 7.96 3.95 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.70 0.00 103 L 7.64 3.82 0.00 1.53 1.46 0.06 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.73 3.79 0.00 1.80 1.94 0.00 1.48 0.00 0.00 1.50 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.44 7.81 105 V 7.59 3.53 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 0.95 0.00 0.00 0.90 0.00 0.00 106 E 8.31 3.92 0.00 2.03 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 2.31 2.46 0.00 107 L 8.07 3.96 0.00 1.76 1.70 0.81 1.35 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 0.00 108 D 8.42 4.31 0.00 2.86 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 0.00 109 R 7.97 3.89 0.00 1.98 1.93 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 110 S 8.19 3.94 0.00 4.03 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 0.00 111 K 8.33 3.73 0.00 1.76 1.99 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 112 K 7.89 3.78 0.00 2.06 1.79 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.49 7.81 113 L 8.14 3.93 0.00 1.69 1.57 0.64 0.81 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 0.00 114 I 7.55 3.67 1.97 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.39 0.91 0.00 0.00 115 E 8.60 4.20 0.00 2.06 2.00 0.00 0.00 0.00 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 2.31 0.00 116 K 8.42 3.95 0.00 1.85 1.92 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.45 7.81 117 A 8.43 3.99 1.41 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 0.00 0.00 0.00 118 L 8.52 4.24 0.00 2.00 1.75 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.40 4.32 0.00 4.02 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 0.00 120 D 7.86 4.45 0.00 2.64 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 0.00 121 N 7.80 4.23 0.00 2.11 2.02 0.00 0.00 6.93 7.50 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 0.00 122 F 7.30 4.57 0.00 3.33 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