NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3283 8.2493 123.5826 51.2038 19.9350 176.5890 2 P 4.4569 0.0000 0.0000 62.5446 32.0607 174.6742 3 Q 4.5955 8.2549 117.4829 55.6812 30.4172 177.3779 4 S 4.6287 7.3159 112.2908 56.1258 66.8962 175.0056 5 I 3.6123 8.2551 122.7271 64.4233 37.7559 178.4955 6 T 3.7996 7.7516 116.2630 66.5103 68.1940 176.1228 7 E 3.9384 7.9170 119.1374 59.4285 29.9462 178.9319 8 L 4.1363 8.0938 120.1989 58.3890 42.1710 178.3080 9 C 3.9709 8.4870 119.0877 62.6260 31.2840 175.3147 10 S 4.3960 7.9526 112.4182 59.7911 62.9111 175.2492 11 E 4.0915 7.9680 121.5682 57.2042 29.5771 175.7846 12 Y 4.7678 7.3171 115.9459 56.3372 41.0931 174.6534 13 H 4.8690 8.6603 118.1584 55.5563 31.0423 175.2148 14 N 4.5538 8.9144 116.8890 54.3923 35.9910 173.7725 15 T 5.1391 7.2088 108.0128 60.3964 71.5645 173.5219 16 Q 4.4935 8.4820 122.6226 54.8864 33.0280 173.3524 17 I 4.3911 8.2118 127.0736 61.1558 38.3640 174.6247 18 Y 4.6035 8.7730 124.9978 56.3459 40.1674 175.1726 19 T 4.2260 8.6425 121.9633 64.0176 68.6808 173.8890 20 I 3.8307 9.1084 127.6874 62.1908 38.3101 176.6601 21 N 4.0823 7.6367 116.7783 53.4799 37.2389 172.1007 22 D 4.5086 7.6956 115.1346 53.5606 45.2822 174.5795 23 K 4.8516 8.5419 122.2647 55.7205 33.9330 176.8175 24 I 3.3025 8.1941 121.4311 61.6070 37.6894 175.9690 25 L 4.3981 8.7635 128.8224 57.5351 42.3919 176.8653 26 S 4.6788 7.7915 112.6454 56.3978 66.5162 171.4361 27 Y 4.6483 7.8849 123.3348 56.0660 40.5055 174.5741 28 T 4.5022 8.2611 123.3273 61.5730 71.9369 172.8479 29 E 4.8671 8.3578 124.7525 54.4438 33.1876 174.3678 30 S 4.7677 9.0142 120.1380 56.4383 66.0220 173.8360 31 M 4.7484 8.5395 121.3346 54.6267 31.8756 175.4265 32 A 4.0848 7.8786 123.1092 51.8913 19.0747 178.0921 33 G 3.7821 8.5394 110.8512 47.2281 0.0000 173.7645 34 K 4.0065 8.7666 121.3195 57.0071 30.5304 176.3922 35 R 4.6538 8.0297 117.4047 55.5791 30.8126 176.9800 36 E 4.8982 8.2691 118.9804 55.0654 29.7458 176.4501 37 M 4.8318 8.0595 121.2064 53.7717 35.9394 173.6002 38 V 4.6526 8.2124 117.0016 61.0367 34.9376 174.0178 39 I 5.1191 8.3370 127.9648 59.4112 40.0666 174.7092 40 I 4.9991 8.8964 119.6261 59.4741 41.2267 174.3926 41 T 5.1437 8.2567 118.0054 62.0054 73.0993 173.1658 42 F 5.2942 9.0164 122.2202 55.3417 42.8995 176.5002 43 K 4.2095 9.0982 119.8006 59.0288 32.7348 178.3514 44 S 4.1815 8.1164 113.9189 59.7048 62.9424 174.8721 45 G 3.9661 8.1827 109.0411 45.0420 0.0000 173.9651 46 A 3.8431 7.7559 122.2677 52.3366 19.2870 176.5941 47 T 4.8571 7.8700 118.7336 61.6997 71.3357 173.5824 48 F 5.3999 9.3254 123.7699 55.7675 44.0664 173.5953 49 Q 5.1713 9.1783 117.8818 54.5289 31.6076 174.3479 50 V 4.4995 8.3989 121.3693 61.8524 32.9971 175.3900 51 E 4.4204 8.8549 127.1506 55.8724 30.5127 176.8138 52 V 3.9688 8.1838 122.1171 62.0387 32.0686 174.2421 53 P 4.3465 0.0000 0.0000 62.2376 31.8890 175.4272 54 G 4.2630 8.5365 108.1532 43.7295 0.0000 172.6780 *57 H 4.4654 8.0820 117.2747 55.0493 29.0548 173.8654 58 I 4.0480 7.9310 118.1003 60.3842 38.3551 177.0782 59 D 4.4431 8.6027 121.1031 57.1281 40.5083 179.1569 60 S 4.1991 8.1366 114.3385 61.3617 62.8440 176.1174 61 Q 4.1892 8.2401 121.0474 57.8901 28.0851 178.4599 62 K 3.9925 7.7259 120.3540 59.3172 32.1009 179.4242 63 K 4.0162 8.0360 118.1454 59.3078 31.9456 179.1505 64 A 4.0636 7.5538 121.6642 54.9057 18.2866 179.7275 65 I 3.6609 8.1515 118.9150 64.6609 37.2079 178.4329 66 E 3.9939 7.8753 118.8823 59.3684 29.1899 179.4327 67 R 3.8936 8.0733 118.7295 59.6149 30.1645 178.1987 68 M 4.0301 8.3037 118.1579 58.5886 32.2946 178.1793 69 K 4.0141 8.1926 118.5809 59.6960 32.2424 178.8647 70 D 4.4127 8.1804 118.9461 57.8667 40.7943 179.1599 71 T 3.9195 8.1803 116.3863 66.4967 68.4394 176.9104 72 L 4.0705 8.1855 120.9917 57.7719 41.6226 179.1582 73 R 3.0834 7.8530 118.1162 59.5731 30.0065 178.4478 74 I 3.6234 7.7737 118.0267 64.0147 37.9213 178.2300 75 T 3.8347 7.9168 116.9320 66.6275 68.3509 175.8179 76 Y 4.0207 8.4604 121.7347 61.0122 38.5812 178.4755 77 L 3.8549 8.0278 118.6691 57.4276 41.8038 178.7623 78 T 4.1221 7.6458 107.1011 61.0373 69.4154 174.3232 79 E 3.6493 7.6591 120.2222 57.7479 27.5996 174.5950 80 T 4.2052 7.6957 114.7879 63.0591 69.7054 175.0472 81 K 4.2045 8.6330 127.5405 56.4082 33.6609 175.4710 82 I 4.0778 8.6453 129.3476 60.9198 38.2711 175.5515 83 D 4.5415 9.2496 128.7681 55.7380 41.2574 175.3156 84 K 5.0588 8.6660 116.5250 54.5372 37.1728 174.6087 85 L 4.8999 8.7227 122.8335 53.1107 44.6818 174.8953 86 C 4.8552 8.7088 124.0738 57.9394 33.3563 172.8175 87 V 4.7624 8.4548 118.8240 59.2240 36.1708 174.7166 88 W 5.0790 9.3469 124.9946 56.3675 29.9777 176.3828 89 N 5.0694 9.6658 122.6135 52.9422 37.1757 175.6808 90 N 4.6464 8.5005 116.3854 53.8110 38.2982 174.9953 91 K 4.6004 7.8553 117.9074 55.0929 34.3361 175.6724 92 T 4.5275 8.1084 116.9464 61.0105 70.9912 172.4751 93 P 4.6193 0.0000 0.0000 61.9801 32.9305 175.6961 94 N 4.8878 8.7396 116.9901 53.9505 39.8630 174.1264 95 S 5.3140 8.9191 117.5829 57.0316 64.4747 173.0984 96 I 4.1631 9.1434 128.7572 61.5129 36.9413 175.2731 97 A 4.1958 8.7797 128.6192 52.8730 20.4295 176.5601 98 A 4.6455 7.2658 114.4750 50.5016 23.1631 174.9054 99 I 5.0379 8.1564 118.4213 59.2410 41.4312 174.5292 100 S 4.9116 9.1013 122.2165 56.9603 66.5000 172.7018 101 M 5.2205 8.4594 119.5335 53.8523 35.9784 174.0688 102 E 4.6939 8.3193 120.2082 54.3414 32.9842 175.3447 103 K 4.1312 8.4577 126.1655 56.7838 32.5273 175.4518 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 8.25 4.33 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 2 P 0.00 4.46 0.00 2.28 2.07 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 3 Q 8.25 4.60 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 4 S 7.32 4.63 0.00 3.98 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 5 I 8.26 3.61 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.24 0.87 0.00 0.00 6 T 7.75 3.80 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 1.18 0.00 0.00 7 E 7.92 3.94 0.00 2.14 2.02 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 2.34 2.32 0.00 8 L 8.09 4.14 0.00 1.79 1.82 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.49 3.97 0.00 2.96 3.04 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 10 S 7.95 4.40 0.00 4.05 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 11 E 7.97 4.09 0.00 2.16 1.73 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 2.28 2.48 0.00 12 Y 7.32 4.77 0.00 2.97 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 13 H 8.66 4.87 0.00 3.29 3.27 0.00 5.75 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.91 4.55 0.00 3.14 3.08 0.00 0.00 6.48 7.05 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 15 T 7.21 5.14 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 1.00 0.00 0.00 16 Q 8.48 4.49 0.00 2.07 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.03 0.00 0.00 0.00 0.00 0.00 1.87 2.17 0.00 17 I 8.21 4.39 1.76 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 1.25 0.86 0.84 0.00 0.00 18 Y 8.77 4.60 0.00 2.88 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 19 T 8.64 4.23 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 1.19 0.00 0.00 20 I 9.11 3.83 1.79 0.00 0.00 0.49 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 0.33 0.10 0.00 0.00 21 N 7.64 4.08 0.00 2.74 2.78 0.00 0.00 6.73 8.47 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 22 D 7.70 4.51 0.00 2.89 2.51 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 0.00 0.00 0.00 0.00 23 K 8.54 4.85 0.00 1.92 1.83 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.48 7.81 24 I 8.19 3.30 2.10 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.66 0.89 0.00 0.00 25 L 8.76 4.40 0.00 1.63 1.69 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.79 4.68 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 27 Y 7.88 4.65 0.00 2.31 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 0.00 0.00 0.00 28 T 8.26 4.50 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 1.08 0.00 0.00 29 E 8.36 4.87 0.00 1.61 1.72 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 2.16 2.26 0.00 30 S 9.01 4.77 0.00 3.83 3.65 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 0.00 0.00 0.00 0.00 31 M 8.54 4.75 0.00 2.11 2.07 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 2.44 2.48 0.00 32 A 7.88 4.08 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 33 G 8.54 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 0.00 0.00 0.00 34 K 8.77 4.01 0.00 2.02 1.97 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.53 7.81 35 R 8.03 4.65 0.00 1.80 1.82 0.00 3.30 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 36 E 8.27 4.90 0.00 1.96 1.90 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 0.00 2.37 2.20 0.00 37 M 8.06 4.83 0.00 2.01 2.23 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 2.49 2.67 0.00 38 V 8.21 4.65 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 0.83 0.00 0.00 0.88 0.00 0.00 39 I 8.34 5.12 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.58 0.89 0.00 0.00 40 I 8.90 5.00 1.67 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.55 0.93 0.00 0.00 41 T 8.26 5.14 4.12 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 1.17 0.00 0.00 42 F 9.02 5.29 0.00 2.98 2.95 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 43 K 9.10 4.21 0.00 1.91 2.01 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.48 7.81 44 S 8.12 4.18 0.00 4.02 4.08 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 45 G 8.18 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 46 A 7.76 3.84 1.10 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 0.00 0.00 47 T 7.87 4.86 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 1.17 0.00 0.00 48 F 9.33 5.40 0.00 3.01 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 49 Q 9.18 5.17 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.87 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 50 V 8.40 4.50 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 0.99 0.00 0.00 0.99 0.00 0.00 51 E 8.85 4.42 0.00 1.99 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 2.35 2.40 0.00 52 V 8.18 3.97 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 0.91 0.00 0.00 1.06 0.00 0.00 53 P 0.00 4.35 0.00 2.07 1.92 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 54 G 8.54 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 0.00 0.00 0.00 0.00 *57 H 8.08 4.47 0.00 3.04 3.32 0.00 5.73 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.93 4.05 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.87 0.93 0.00 0.00 59 D 8.60 4.44 0.00 2.74 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 60 S 8.14 4.20 0.00 4.08 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 61 Q 8.24 4.19 0.00 2.44 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 62 K 7.73 3.99 0.00 1.94 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.46 7.81 63 K 8.04 4.02 0.00 1.81 1.87 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.51 7.81 64 A 7.55 4.06 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 65 I 8.15 3.66 2.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.99 0.90 0.00 0.00 66 E 7.88 3.99 0.00 2.16 2.01 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 2.57 2.47 0.00 67 R 8.07 3.89 0.00 1.90 2.09 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.30 4.03 0.00 2.32 2.07 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.67 0.00 69 K 8.19 4.01 0.00 2.07 1.93 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.71 7.81 70 D 8.18 4.41 0.00 2.94 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 71 T 8.18 3.92 4.43 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 1.24 0.00 0.00 72 L 8.19 4.07 0.00 1.87 1.91 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.85 3.08 0.00 1.63 1.99 0.00 3.00 0.00 0.00 3.01 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.15 0.00 74 I 7.77 3.62 1.85 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 1.51 1.04 1.03 0.00 0.00 75 T 7.92 3.83 4.51 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 0.00 0.00 0.00 1.31 0.00 0.00 76 Y 8.46 4.02 0.00 3.03 3.03 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 77 L 8.03 3.85 0.00 1.59 1.66 0.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.65 4.12 4.20 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 1.18 0.00 0.00 79 E 7.66 3.65 0.00 2.08 1.99 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 2.00 2.05 0.00 80 T 7.70 4.21 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 81 K 8.63 4.20 0.00 1.85 1.70 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.50 7.81 82 I 8.65 4.08 2.09 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.84 0.97 0.00 0.00 83 D 9.25 4.54 0.00 2.80 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 84 K 8.67 5.06 0.00 1.65 1.56 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.35 7.81 85 L 8.72 4.90 0.00 1.23 1.14 0.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.71 4.86 0.00 2.81 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 87 V 8.45 4.76 2.26 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 0.39 0.00 0.00 1.34 0.00 0.00 88 W 9.35 5.08 0.00 3.39 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 89 N 9.67 5.07 0.00 2.78 3.07 0.00 0.00 7.04 8.31 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 90 N 8.50 4.65 0.00 2.89 3.05 0.00 0.00 6.07 7.13 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 91 K 7.86 4.60 0.00 1.85 1.80 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.38 7.81 92 T 8.11 4.53 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 1.21 0.00 0.00 93 P 0.00 4.62 0.00 2.14 1.99 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 94 N 8.74 4.89 0.00 3.15 3.21 0.00 0.00 6.36 7.57 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 95 S 8.92 5.31 0.00 4.12 4.09 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 96 I 9.14 4.16 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.85 0.85 0.00 0.00 97 A 8.78 4.20 -0.29 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 98 A 7.27 4.65 1.05 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 99 I 8.16 5.04 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.97 0.90 0.00 0.00 100 S 9.10 4.91 0.00 3.84 3.86 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 0.00 101 M 8.46 5.22 0.00 1.98 1.94 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 2.50 2.54 0.00 102 E 8.32 4.69 0.00 1.98 1.75 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 2.20 2.22 0.00 103 K 8.46 4.13 0.00 1.67 1.57 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.