NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.8051 8.2116 122.9725 47.5342 21.1669 175.6505 2 K 3.5482 7.9088 118.3368 54.9003 30.4899 173.9406 3 Q 4.0863 8.1964 123.7801 58.7593 29.2502 178.0370 4 S 4.1390 8.0993 114.4830 61.8241 62.5731 176.5519 5 M 4.0533 8.5333 122.4118 57.9996 31.6260 178.6446 6 K 3.9085 8.0392 117.5555 59.0145 32.5630 178.2491 7 A 4.0706 7.8630 121.5162 55.2608 16.8477 179.3158 8 R 3.8423 7.6803 115.7779 59.7392 29.9352 178.3067 9 E 4.2828 7.9677 117.5999 58.4803 29.3650 179.1011 10 V 3.5941 7.7675 118.8687 65.7852 31.4849 177.8780 11 K 4.0524 7.6383 118.3481 58.8884 31.7515 179.1612 12 R 4.4954 7.3917 117.2558 58.7304 30.0607 177.9254 13 V 3.8478 7.6457 114.3527 63.9177 31.9512 176.5182 14 A 4.2088 7.5575 121.7561 54.8787 18.4083 177.9064 15 L 4.7625 7.6570 114.6882 55.0555 41.7375 176.6640 16 A 5.2531 7.9622 120.0272 51.6667 19.3771 177.4245 17 D 5.0139 8.1963 118.8333 56.4178 46.0752 177.6448 18 K 3.8025 8.3409 117.7828 58.2043 32.6745 176.7781 19 Y 4.3559 7.9417 114.7952 59.5285 39.9034 177.4824 20 F 4.8273 8.1876 116.0603 57.7901 40.8840 177.2070 21 A 4.4339 8.1252 130.6283 52.9534 16.9440 181.0034 22 K 4.2654 9.2068 127.1777 58.9304 32.8884 178.5176 23 R 4.1255 7.8865 115.9244 57.5559 30.1916 176.9346 24 A 4.4542 7.9453 119.9487 53.3665 18.4826 177.8900 25 E 4.7276 7.7036 110.6760 56.0891 31.9987 176.8903 26 L 3.9837 7.9831 123.1011 58.1336 41.9627 178.4058 27 K 4.2878 7.9831 115.8582 57.6694 32.9602 178.5687 28 A 4.0174 7.6155 122.4918 55.6432 18.2988 179.6889 29 I 4.5031 7.7067 116.8646 62.8527 37.4118 176.8673 30 I 4.5129 7.2484 119.7250 61.0092 37.2160 177.0815 31 S 4.5335 8.6050 117.1758 58.0369 65.2416 173.9480 32 D 4.7481 7.7401 119.5646 51.4721 41.1260 176.4528 33 V 3.7747 7.9261 119.2322 62.0578 29.4328 172.8490 34 N 4.7244 8.0259 121.0950 53.9840 45.7800 174.4985 *40 R 4.7490 7.6130 114.4519 56.0686 31.2555 174.3544 41 W 4.0682 8.0713 123.4915 56.7112 33.4601 173.6634 42 N 4.3340 8.5479 125.2873 57.2775 38.6203 175.9304 43 A 4.3361 8.7613 119.8434 53.7309 18.6460 178.2782 44 V 3.9501 8.0612 116.1879 65.1154 32.1333 178.2984 45 L 4.2502 7.3686 117.1545 55.4532 41.3031 178.0143 46 K 4.4989 7.9355 118.6540 57.1013 34.7425 178.6225 47 L 4.0131 7.5692 119.0241 57.2369 42.1417 177.5566 48 Q 3.9939 8.1676 118.6515 58.9420 29.4585 176.8845 49 T 4.3814 7.1995 116.3696 62.6982 67.5591 174.7902 50 L 4.2486 7.6138 124.6523 56.6007 43.1103 176.3013 51 P 4.6451 0.0000 0.0000 62.7081 33.8885 175.4034 52 R 4.5141 7.3020 112.3701 55.0079 30.5057 175.0364 53 D 4.6110 7.2512 115.6428 54.0399 44.2082 176.0382 54 S 4.8843 7.7868 114.8663 57.0000 64.4742 173.4820 55 S 4.6125 8.1537 116.6158 56.9938 64.7772 176.1698 56 P 4.4929 0.0000 0.0000 63.3785 30.4948 177.0334 57 S 4.4917 8.7943 116.0271 60.1862 65.6711 175.2481 58 R 4.5485 7.9127 114.6463 56.5238 30.0822 175.9896 59 Q 4.7846 6.9472 119.9357 57.6317 31.4617 173.1936 60 R 4.3169 7.5463 117.8115 57.7316 33.8917 172.1284 61 N 4.5302 8.2289 109.2533 53.7288 39.2049 174.7123 62 R 3.7987 6.7414 119.4925 53.9148 29.2690 175.5688 63 C 4.1582 8.4252 119.2211 60.0319 31.0809 174.3014 64 R 4.2819 8.5440 125.9506 57.1313 29.8056 177.1320 65 Q 4.4651 8.0378 118.8431 56.4054 30.7590 175.0343 66 T 4.3131 8.8393 104.8588 62.4384 70.9745 173.6209 67 G 3.1722 7.5303 111.5326 43.9884 0.0000 173.1146 68 R 4.1660 7.8409 121.6444 54.8546 30.0855 174.4591 69 P 4.2146 0.0000 0.0000 64.0178 31.8745 177.7924 70 H 4.9552 7.0866 117.5820 53.5280 32.4402 172.9256 71 G 3.9163 8.8555 103.1783 46.5923 0.0000 171.5417 72 F 5.1404 7.8381 111.6880 55.2816 42.0778 174.3243 73 L 4.2645 7.4934 119.6459 52.4310 44.8169 178.6125 74 R 3.8734 7.9787 121.5378 58.9834 30.2669 178.8345 75 K 3.9319 7.9598 117.5595 58.2526 32.5480 176.6494 76 F 4.4518 8.1889 114.4897 59.0552 41.0347 176.6593 77 G 4.2781 9.2974 107.7825 45.1816 0.0000 172.3306 78 L 5.3285 7.7669 118.9874 53.0192 45.6158 175.3494 79 S 5.0948 8.4897 113.7157 56.6265 64.7855 175.6484 80 R 3.7872 8.6058 120.0775 59.6091 28.7958 178.9430 81 I 3.7830 7.7599 111.5836 62.6031 37.0854 176.9976 82 K 4.3519 8.4802 119.8419 57.0294 32.4915 178.7466 83 V 3.4098 7.2898 118.6570 65.6841 31.5264 177.5005 84 R 3.8376 8.0705 118.7931 59.5781 29.7854 177.9248 85 E 3.9292 8.2192 116.2030 58.1112 29.7341 177.1516 86 A 4.5352 7.1970 119.6438 54.1725 20.5779 178.5014 87 A 4.1260 9.0532 119.8135 55.1099 18.1020 178.8812 88 M 4.6254 7.9587 115.5071 55.3898 31.9798 177.3605 89 R 4.5296 7.8492 115.8631 55.4728 29.7042 175.3693 90 G 4.0420 8.4673 103.5090 47.7258 0.0000 175.2176 91 E 4.1892 8.0084 119.5071 57.2993 29.8468 176.9263 92 I 4.5194 7.4592 119.2612 58.2942 39.5038 173.4324 93 P 4.1449 0.0000 0.0000 63.8182 31.3349 174.8228 94 G 3.5772 7.7997 116.4807 44.1990 0.0000 175.6223 95 L 3.6194 6.9317 120.1209 55.6829 40.3390 176.2839 96 K 4.4921 7.6846 124.6871 55.9021 34.3081 177.0621 97 K 4.2855 8.3805 117.9164 55.3390 33.8735 175.4644 98 A 4.2636 7.7073 123.4936 51.6430 20.2196 177.0598 99 S 4.6483 7.4197 110.5798 58.3191 65.3093 176.7998 100 W 4.5406 7.8938 123.8913 56.6537 28.0283 174.9696 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 A 8.21 4.81 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 2 K 7.91 3.55 0.00 2.01 1.76 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.51 7.81 3 Q 8.20 4.09 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 4 S 8.10 4.14 0.00 4.03 4.13 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 5 M 8.53 4.05 0.00 1.97 2.28 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 2.60 2.67 0.00 6 K 8.04 3.91 0.00 1.72 1.95 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.48 7.81 7 A 7.86 4.07 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 8 R 7.68 3.84 0.00 1.92 1.95 0.00 3.08 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 9 E 7.97 4.28 0.00 2.13 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 2.29 2.55 0.00 10 V 7.77 3.59 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 1.00 0.00 0.00 0.98 0.00 0.00 11 K 7.64 4.05 0.00 1.94 1.93 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.50 7.81 12 R 7.39 4.50 0.00 1.96 1.96 0.00 3.15 0.00 0.00 3.23 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.70 0.00 13 V 7.65 3.85 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 0.77 0.00 0.00 1.03 0.00 0.00 14 A 7.56 4.21 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 15 L 7.66 4.76 0.00 1.65 1.68 0.86 0.89 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 16 A 7.96 5.25 1.25 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 0.00 0.00 17 D 8.20 5.01 0.00 2.85 2.92 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 0.00 0.00 0.00 18 K 8.34 3.80 0.00 1.95 1.86 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.67 7.81 19 Y 7.94 4.36 0.00 2.74 2.58 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 0.00 0.00 0.00 0.00 20 F 8.19 4.83 0.00 3.15 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 21 A 8.13 4.43 1.13 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 0.00 0.00 22 K 9.21 4.27 0.00 1.83 1.87 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.46 7.81 23 R 7.89 4.13 0.00 1.99 1.94 0.00 3.17 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 24 A 7.95 4.45 1.59 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 0.00 0.00 25 E 7.70 4.73 0.00 2.18 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 2.29 2.50 0.00 26 L 7.98 3.98 0.00 1.82 1.74 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.98 4.29 0.00 2.10 2.05 0.00 1.49 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.58 7.81 28 A 7.62 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.71 4.50 1.90 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 1.68 1.89 0.94 0.00 0.00 30 I 7.25 4.51 2.03 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 1.54 1.17 1.08 0.00 0.00 31 S 8.61 4.53 0.00 3.95 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 32 D 7.74 4.75 0.00 2.86 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 33 V 7.93 3.77 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 0.78 0.00 0.00 0.93 0.00 0.00 34 N 8.03 4.72 0.00 2.67 2.76 0.00 0.00 7.27 7.65 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 *40 R 7.61 4.75 0.00 1.84 1.92 0.00 3.34 0.00 0.00 3.94 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 41 W 8.07 4.07 0.00 3.35 2.92 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 0.00 0.00 0.00 42 N 8.55 4.33 0.00 2.83 2.93 0.00 0.00 7.10 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 43 A 8.76 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 44 V 8.06 3.95 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 0.98 0.00 0.00 0.84 0.00 0.00 45 L 7.37 4.25 0.00 1.78 1.71 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.94 4.50 0.00 1.76 1.81 0.00 1.72 0.00 0.00 2.03 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.37 7.81 47 L 7.57 4.01 0.00 1.60 1.69 0.92 0.71 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 48 Q 8.17 3.99 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.33 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 49 T 7.20 4.38 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 50 L 7.61 4.25 0.00 1.73 1.85 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.65 0.00 1.67 1.00 0.00 3.67 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.08 0.00 52 R 7.30 4.51 0.00 1.69 1.82 0.00 3.31 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 53 D 7.25 4.61 0.00 2.65 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 54 S 7.79 4.88 0.00 4.57 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 55 S 8.15 4.61 0.00 3.94 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 P 0.00 4.49 0.00 2.10 1.90 0.00 3.47 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.73 0.00 57 S 8.79 4.49 0.00 3.79 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 58 R 7.91 4.55 0.00 1.91 2.01 0.00 2.99 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 59 Q 6.95 4.78 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 60 R 7.55 4.32 0.00 1.65 1.69 0.00 3.13 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.39 0.00 61 N 8.23 4.53 0.00 1.97 2.77 0.00 0.00 5.93 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 62 R 6.74 3.80 0.00 1.85 2.06 0.00 3.46 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 63 C 8.43 4.16 0.00 2.95 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 64 R 8.54 4.28 0.00 2.00 1.99 0.00 3.26 0.00 0.00 3.43 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 65 Q 8.04 4.47 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 66 T 8.84 4.31 4.23 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 1.21 0.00 0.00 67 G 7.53 3.17 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 68 R 7.84 4.17 0.00 1.83 1.78 0.00 3.17 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.54 0.00 69 P 0.00 4.21 0.00 1.99 1.94 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 70 H 7.09 4.96 0.00 3.23 3.38 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.86 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 72 F 7.84 5.14 0.00 3.30 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 73 L 7.49 4.26 0.00 1.63 1.47 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.98 3.87 0.00 1.79 1.97 0.00 3.13 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.53 0.00 75 K 7.96 3.93 0.00 1.63 1.79 0.00 1.49 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.15 1.15 7.81 76 F 8.19 4.45 0.00 3.08 3.05 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 77 G 9.30 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 78 L 7.77 5.33 0.00 1.77 1.63 1.10 0.99 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 79 S 8.49 5.09 0.00 3.90 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 80 R 8.61 3.79 0.00 1.95 2.15 0.00 2.94 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 81 I 7.76 3.78 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 1.63 0.46 0.90 0.00 0.00 82 K 8.48 4.35 0.00 1.98 1.88 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.57 7.81 83 V 7.29 3.41 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 0.18 0.00 0.00 0.54 0.00 0.00 84 R 8.07 3.84 0.00 1.81 1.86 0.00 3.12 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 85 E 8.22 3.93 0.00 2.14 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 2.29 2.38 0.00 86 A 7.20 4.54 1.48 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 0.00 0.00 87 A 9.05 4.13 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 88 M 7.96 4.63 0.00 1.98 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.70 0.00 89 R 7.85 4.53 0.00 1.85 1.94 0.00 3.22 0.00 0.00 3.47 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 90 G 8.47 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 0.00 0.00 0.00 0.00 91 E 8.01 4.19 0.00 2.09 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 0.00 2.43 2.45 0.00 92 I 7.46 4.52 2.05 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.76 1.21 0.00 0.00 93 P 0.00 4.14 0.00 2.02 2.01 0.00 3.72 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 2.09 0.00 94 G 7.80 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 6.93 3.62 0.00 1.78 1.92 1.09 0.84 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 96 K 7.68 4.49 0.00 1.91 1.78 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.42 7.81 97 K 8.38 4.29 0.00 1.72 1.71 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.39 7.81 98 A 7.71 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.42 4.65 0.00 3.84 3.83 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 0.00 100 W 7.89 4.54 0.00 3.27 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 * Residues marked with a * may have inaccurate shift predictions.