NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.7253 8.2116 122.9727 47.5415 20.9151 175.4208 2 K 3.5467 8.0650 121.0673 54.9179 30.4861 174.0915 3 Q 3.9964 8.1285 124.4530 58.5307 29.5091 177.8605 4 S 4.1634 7.9785 114.1000 61.5693 62.9637 176.1692 5 M 4.1652 8.2421 122.5737 58.0827 31.9783 178.6023 6 K 3.8986 8.0788 118.8113 58.9917 32.3162 178.5692 7 A 3.9989 7.8606 121.4243 55.2877 18.3290 179.4490 8 R 3.8515 7.6543 116.8432 59.6018 29.7822 178.1557 9 E 4.0742 7.8231 116.7568 58.1900 29.4764 179.1029 10 V 3.5870 7.5376 118.8778 65.8080 31.4961 177.9445 11 K 4.0291 8.0035 118.6679 59.0392 31.8065 178.9938 12 R 4.2926 7.1091 118.9238 58.8478 30.4809 178.7690 13 V 3.7634 7.5696 116.5595 64.8789 31.3370 177.6854 14 A 4.1836 7.6065 119.8536 54.3567 18.1669 178.2802 15 L 4.7898 7.4817 116.0314 54.6651 42.4382 176.5506 16 A 5.1318 7.5442 120.1337 51.7699 19.8247 177.7961 17 D 5.0238 8.2572 118.3307 56.4719 45.8714 177.6728 18 K 4.1561 8.3732 117.8770 58.1554 32.6158 176.8575 19 Y 4.3659 8.0512 113.8399 59.4632 39.9701 177.1917 20 F 4.6655 8.2390 116.1486 57.9157 40.6933 176.9436 21 A 4.8149 7.7000 135.0000 51.9402 17.1154 182.9309 22 K 4.2129 8.9773 124.5400 61.0641 32.1588 178.4908 23 R 4.1209 7.8866 115.8246 57.4734 30.1920 177.0388 24 A 4.3670 7.5599 120.7696 53.6343 19.0852 177.9195 25 E 4.7225 7.7560 110.7431 55.6917 31.6492 177.0937 26 L 4.0156 8.0922 122.7891 58.3767 42.3018 178.2760 27 K 4.1796 7.9961 115.8586 58.3459 33.5156 178.7430 28 A 3.9776 7.7110 122.9023 55.5753 18.3252 179.7982 29 I 4.4296 7.6890 113.4125 63.1066 37.4144 176.8782 30 I 4.5039 7.6083 120.4829 60.9986 37.1569 177.0847 31 S 4.4492 8.5954 117.5222 58.2442 65.1798 173.9915 32 D 4.7484 7.7198 119.4327 51.4459 41.1280 176.4714 33 V 4.1157 7.9323 119.2098 62.1404 29.3631 172.7761 34 N 4.6818 8.0637 121.5841 53.9460 45.7181 174.5649 *40 R 4.7497 7.6305 114.4155 56.1996 31.0169 174.4040 41 W 4.2722 8.1084 124.7845 56.5455 33.3845 173.6497 42 N 4.3105 8.4955 125.1576 57.2335 38.6943 175.9491 43 A 4.3005 8.7557 121.7038 54.0554 19.0588 178.6005 44 V 3.8785 8.0834 115.9433 65.3874 32.0253 178.5771 45 L 4.3743 7.4007 117.8941 55.3603 40.8183 178.0422 46 K 4.5058 7.9077 118.4460 57.0888 34.8627 178.7424 47 L 4.0467 7.6253 119.7566 57.3848 42.1694 177.5389 48 Q 3.9908 8.1930 118.8031 59.1863 29.4316 177.1867 49 T 4.3433 7.2102 115.6060 62.4499 67.3671 174.4746 50 L 4.2749 7.6801 124.7415 56.4784 43.1649 175.9017 51 P 4.7293 0.0000 0.0000 62.4292 33.9098 175.2240 52 R 4.5457 7.3737 112.7205 54.9791 30.1780 175.0958 53 D 4.5529 7.3089 115.5449 54.1111 44.3080 176.0258 54 S 4.8609 7.7397 114.9338 57.0571 64.3734 173.5020 55 S 4.5995 8.0731 116.0892 56.9700 64.7912 176.2774 56 P 4.5189 0.0000 0.0000 63.1744 30.4647 177.1515 57 S 4.4765 8.8294 115.8959 60.4370 65.7933 175.4293 58 R 4.4863 7.9436 114.4871 56.4345 29.8201 175.8755 59 Q 4.9174 6.9421 119.8415 56.9215 31.9580 173.9888 60 R 4.3223 7.7358 119.0650 57.5622 33.4167 173.6106 61 N 4.5075 8.1570 109.1914 54.0541 38.9584 174.3409 62 R 3.8049 6.9552 119.4788 53.8973 29.6663 175.5871 63 C 4.1384 8.3534 119.6836 60.0500 31.3021 174.6104 64 R 4.2221 8.4089 125.9828 57.4042 30.0627 177.1707 65 Q 4.3477 8.0478 118.4734 56.7937 29.8671 175.0071 66 T 4.2818 8.8311 105.0223 61.7959 71.0169 173.2906 67 G 3.3318 7.9613 112.1743 44.0291 0.0000 172.6137 68 R 4.2109 7.8014 122.2813 55.1926 30.5632 175.1564 69 P 4.1295 0.0000 0.0000 65.4230 31.5001 175.8602 70 H 4.9398 7.0039 113.4001 53.9037 31.9018 172.0904 71 G 3.9627 8.9112 103.6700 46.2150 0.0000 171.8770 72 F 5.1255 7.7973 113.4320 55.7590 41.8063 174.4349 73 L 4.2500 7.6182 119.7082 52.5318 44.4466 178.5954 74 R 4.0462 7.9244 121.0057 58.9129 30.3612 178.9340 75 K 3.7128 7.9845 117.8362 58.4095 32.4831 176.6184 76 F 4.4853 8.0867 114.6684 59.3685 40.8103 176.7954 77 G 4.3377 9.4370 107.7778 45.2122 0.0000 172.3553 78 L 5.3602 7.8620 118.7808 53.0604 45.7779 175.4022 79 S 5.3889 8.4981 113.9122 56.4400 64.6376 175.6995 80 R 3.7208 8.5541 119.1273 59.3903 29.0477 178.5263 81 I 3.8928 7.7166 109.2425 61.8873 37.4426 176.6404 82 K 4.4575 8.5465 120.5155 56.5261 33.3601 178.3120 83 V 3.2945 7.3108 118.7283 65.5893 31.6160 177.7412 84 R 3.9770 8.1231 118.8009 59.4444 29.8345 178.0294 85 E 3.9910 8.2266 116.4436 58.2041 29.6509 177.2766 86 A 4.5079 7.2373 119.2987 53.9933 20.2505 178.6174 87 A 4.0569 8.7703 118.9993 55.1041 18.4517 178.8296 88 M 4.4687 7.7977 115.1749 55.6680 31.8357 176.8846 89 R 4.5582 7.6678 116.6287 55.7625 28.8508 176.6822 90 G 4.0048 8.5749 104.8845 47.0950 0.0000 176.0711 91 E 4.1461 7.8938 118.8239 57.9432 29.6994 176.9803 92 I 4.5255 6.8865 118.0234 58.3020 39.1650 173.7531 93 P 4.1315 0.0000 0.0000 63.7618 30.9183 173.9340 94 G 3.8278 7.2171 114.3029 44.5632 0.0000 175.6073 95 L 3.6170 6.3735 123.0988 55.2250 39.9673 176.6049 96 K 4.5592 7.6653 121.5496 55.4029 35.1147 177.0414 97 K 4.3108 8.3648 117.2251 55.6338 33.6815 175.7891 98 A 4.4033 7.8596 123.5079 51.7767 20.3184 177.9814 99 S 4.6201 7.7217 113.8987 56.6170 64.1068 175.1738 100 W 4.7964 7.6857 122.7653 56.7885 28.0473 174.6049 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 4.73 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 2 K 8.07 3.55 0.00 2.02 1.77 0.00 1.73 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 1.39 1.51 7.81 3 Q 8.13 4.00 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 4 S 7.98 4.16 0.00 4.01 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 5 M 8.24 4.17 0.00 2.01 2.30 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 8.08 3.90 0.00 1.79 1.93 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.48 7.81 7 A 7.86 4.00 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 8 R 7.65 3.85 0.00 1.87 2.03 0.00 3.07 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 9 E 7.82 4.07 0.00 2.14 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 2.28 2.55 0.00 10 V 7.54 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 0.99 0.00 0.00 0.96 0.00 0.00 11 K 8.00 4.03 0.00 1.86 1.79 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.54 7.81 12 R 7.11 4.29 0.00 2.08 1.96 0.00 3.15 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.64 0.00 13 V 7.57 3.76 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 1.03 0.00 0.00 1.02 0.00 0.00 14 A 7.61 4.18 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 15 L 7.48 4.79 0.00 1.58 1.61 0.82 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.54 5.13 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 17 D 8.26 5.02 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 8.37 4.16 0.00 2.00 1.92 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.56 7.81 19 Y 8.05 4.37 0.00 3.08 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 20 F 8.24 4.67 0.00 3.15 3.10 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 21 A 7.70 4.81 1.03 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 22 K 8.98 4.21 0.00 1.83 1.87 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.47 7.81 23 R 7.89 4.12 0.00 1.98 1.92 0.00 3.15 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 24 A 7.56 4.37 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.76 4.72 0.00 2.17 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 2.28 2.47 0.00 26 L 8.09 4.02 0.00 1.90 1.73 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.00 4.18 0.00 2.05 2.06 0.00 1.48 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.51 7.81 28 A 7.71 3.98 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 7.69 4.43 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 1.45 1.85 0.94 0.00 0.00 30 I 7.61 4.50 2.04 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 1.53 1.06 1.07 0.00 0.00 31 S 8.60 4.45 0.00 3.94 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 7.72 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 4.12 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 8.06 4.68 0.00 2.66 2.76 0.00 0.00 7.26 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 7.63 4.75 0.00 1.84 1.92 0.00 3.34 0.00 0.00 3.97 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 8.11 4.27 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 8.50 4.31 0.00 2.81 2.88 0.00 0.00 7.09 8.70 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 43 A 8.76 4.30 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 44 V 8.08 3.88 2.39 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 0.98 0.00 0.00 0.85 0.00 0.00 45 L 7.40 4.37 0.00 1.76 1.71 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.91 4.51 0.00 1.75 1.81 0.00 1.72 0.00 0.00 2.01 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.37 7.81 47 L 7.63 4.05 0.00 1.55 1.69 0.91 0.69 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 48 Q 8.19 3.99 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.36 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 49 T 7.21 4.34 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 7.68 4.27 0.00 1.76 1.87 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.73 0.00 1.70 1.09 0.00 3.70 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.21 0.00 52 R 7.37 4.55 0.00 1.69 1.82 0.00 3.31 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 53 D 7.31 4.55 0.00 2.64 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 4.86 0.00 4.57 3.73 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 55 S 8.07 4.60 0.00 3.93 3.73 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 56 P 0.00 4.52 0.00 2.11 1.90 0.00 3.52 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.76 0.00 57 S 8.83 4.48 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 7.94 4.49 0.00 1.91 2.01 0.00 2.99 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 59 Q 6.94 4.92 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 60 R 7.74 4.32 0.00 1.64 1.58 0.00 3.14 0.00 0.00 3.35 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.48 0.00 61 N 8.16 4.51 0.00 1.89 2.70 0.00 0.00 5.92 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 6.96 3.80 0.00 1.86 2.07 0.00 3.51 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 1.35 1.44 0.00 63 C 8.35 4.14 0.00 2.98 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 64 R 8.41 4.22 0.00 1.95 1.98 0.00 3.25 0.00 0.00 3.40 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 65 Q 8.05 4.35 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 66 T 8.83 4.28 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 7.96 3.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.80 4.21 0.00 1.83 1.80 0.00 3.18 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00 69 P 0.00 4.13 0.00 2.01 2.06 0.00 3.67 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 1.67 1.81 0.00 70 H 7.00 4.94 0.00 3.22 3.36 0.00 5.87 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 8.91 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 0.00 0.00 0.00 72 F 7.80 5.13 0.00 3.26 2.94 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 73 L 7.62 4.25 0.00 1.77 1.51 0.85 0.99 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 74 R 7.92 4.05 0.00 1.80 1.98 0.00 3.14 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 1.92 1.53 0.00 75 K 7.98 3.71 0.00 1.58 1.65 0.00 1.48 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.05 1.07 7.81 76 F 8.09 4.49 0.00 3.09 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 77 G 9.44 4.34 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 0.00 78 L 7.86 5.36 0.00 1.76 1.62 1.11 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.50 5.39 0.00 3.90 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 80 R 8.55 3.72 0.00 1.90 2.15 0.00 2.94 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 81 I 7.72 3.89 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 1.41 0.46 0.90 0.00 0.00 82 K 8.55 4.46 0.00 1.89 1.84 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.55 7.81 83 V 7.31 3.29 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 0.56 0.00 0.00 84 R 8.12 3.98 0.00 1.82 1.85 0.00 3.11 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 85 E 8.23 3.99 0.00 2.13 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 2.28 2.37 0.00 86 A 7.24 4.51 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 87 A 8.77 4.06 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 88 M 7.80 4.47 0.00 2.01 2.20 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 2.74 0.00 89 R 7.67 4.56 0.00 1.87 2.05 0.00 2.89 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 90 G 8.57 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 0.00 0.00 0.00 91 E 7.89 4.15 0.00 2.08 2.06 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 2.44 2.47 0.00 92 I 6.89 4.53 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.78 1.26 0.00 0.00 93 P 0.00 4.13 0.00 2.03 2.01 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 94 G 7.22 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 0.00 0.00 0.00 95 L 6.37 3.62 0.00 1.77 1.85 1.10 0.84 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 96 K 7.67 4.56 0.00 1.90 1.84 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.41 7.81 97 K 8.36 4.31 0.00 1.72 1.71 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.40 7.81 98 A 7.86 4.40 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 4.62 0.00 3.87 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 0.00 100 W 7.69 4.80 0.00 3.25 3.16 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 * Residues marked with a * may have inaccurate shift predictions.