NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3293 0.0000 0.0000 62.0999 32.2546 175.7517 3 K 3.7519 8.9471 124.2053 55.3915 30.7620 173.0090 4 K 4.3045 7.5830 122.5777 53.5991 34.3351 174.2081 5 V 5.0429 8.3584 126.6791 61.4786 34.6534 174.1513 6 L 4.6718 8.4790 122.0932 53.6638 46.5547 174.8952 7 T 5.2347 8.1559 118.0677 61.9720 71.1399 173.5272 8 G 4.5663 8.8172 112.0139 46.4656 0.0000 171.7854 9 V 4.5540 8.0395 120.0033 61.3763 33.1706 175.0802 10 V 4.1152 8.8556 128.8939 63.8843 31.7430 176.4034 11 V 4.3717 9.3812 122.1734 61.5451 33.3624 176.1665 12 S 4.6524 7.8522 115.6968 56.5325 65.3531 173.5981 13 D 4.9564 8.9402 125.4246 53.3205 39.6353 176.1561 14 K 4.5254 7.7545 118.6378 57.2216 32.6524 176.3096 15 M 4.7111 7.7173 116.8725 53.3248 35.3083 173.8033 16 Q 4.2210 8.6616 124.0261 57.3189 28.7255 175.9823 17 K 4.2273 10.0727 122.3820 57.0673 30.1339 175.7594 18 T 5.2973 7.6405 113.5220 62.4459 72.9556 173.7993 19 V 4.9176 8.5931 116.3064 58.8154 36.4345 174.8797 20 T 4.5383 8.5255 121.0472 63.3009 69.9157 173.6914 21 V 4.5126 9.2617 128.6759 60.5917 33.5001 174.4470 22 L 4.3642 8.7718 131.8643 55.2477 43.4879 176.1401 23 V 4.5597 9.0323 125.4576 61.0651 34.0784 174.4689 24 E 4.8654 8.8315 127.6738 56.6290 30.3851 176.9587 25 R 4.6535 9.0302 117.4454 55.5440 33.1091 174.5516 26 Q 4.8721 8.8558 121.9275 54.0014 31.3353 174.4409 27 F 4.7663 7.8590 111.6820 55.5761 40.2371 171.4528 28 P 4.6426 0.0000 0.0000 62.7215 32.0983 175.7696 29 H 4.0708 10.3311 125.3847 55.1716 30.0809 174.2174 30 P 4.3711 0.0000 0.0000 65.1834 30.9575 176.5332 31 L 4.5922 7.9299 116.5925 54.6693 43.8470 176.0539 32 Y 5.0453 8.0634 114.3172 56.9168 40.0248 178.2551 33 G 3.5673 8.4493 112.8145 46.7870 0.0000 177.7741 34 K 4.4408 9.0438 122.1178 56.6294 29.9541 172.2878 35 V 3.4995 7.7650 126.6951 62.0033 32.0689 175.2021 36 I 4.5412 8.2927 119.1843 58.7479 40.1871 174.9295 37 K 4.2666 8.7200 126.3327 56.6986 32.9704 175.9231 38 R 4.8461 8.4013 122.6952 55.9361 34.4224 172.9891 39 S 5.1458 8.2405 113.8754 57.8558 65.4844 174.2400 40 K 4.6700 8.8992 120.6266 54.9486 35.9562 174.6331 41 K 5.0483 8.4136 123.4355 55.0606 34.1073 175.4052 42 Y 4.5361 8.6827 120.8288 56.0862 41.8199 174.6096 43 L 5.1388 8.5615 122.5305 53.3634 43.7474 175.0573 44 A 5.7093 9.0326 126.4578 49.2089 22.2764 174.9249 45 H 4.5690 8.8453 121.6748 55.8643 31.1577 174.7170 46 D 5.1267 9.1489 125.2156 51.4948 41.0388 173.7117 47 P 4.2403 0.0000 0.0000 65.9107 31.6400 177.9108 48 E 4.1957 8.2182 115.5785 55.6609 29.7549 176.8109 49 E 4.0424 8.9159 117.4225 56.7353 27.9823 175.4875 50 K 3.8853 7.7836 117.6810 58.4057 32.8459 176.2978 51 Y 4.5128 8.4832 119.7413 56.2928 38.2885 175.7670 52 K 4.6840 9.1929 125.6185 55.0754 34.3202 175.7135 53 L 4.1408 8.2014 121.3427 56.7163 42.0525 176.2902 54 G 4.1268 8.7185 114.2269 45.2570 0.0000 172.9231 55 D 4.6730 7.9627 121.0952 54.7657 42.1246 175.6793 56 V 4.6164 8.7429 123.4574 62.1510 33.2103 175.1549 57 V 4.8946 8.6384 119.4900 59.9866 36.7370 173.5647 58 E 4.7343 8.8550 122.7709 55.7844 31.2832 175.5472 59 I 4.7569 9.3390 125.8129 59.5303 40.1755 174.3830 60 I 4.5173 8.9854 128.3899 59.1971 39.9064 174.3141 61 E 3.0289 8.8832 130.5900 56.7606 29.7491 175.9719 62 S 4.7710 8.0026 122.0464 55.9784 67.0761 174.0189 63 R 3.8852 8.4128 120.7898 55.4553 30.3251 174.0754 64 P 4.3587 0.0000 0.0000 63.4292 31.4673 176.3901 65 I 3.9629 8.3789 125.4540 63.6255 37.4753 176.0295 66 S 4.4685 7.6296 111.4859 56.9511 64.9681 174.8494 67 K 3.7531 8.2013 121.9376 57.6257 32.1579 177.6477 68 R 3.8022 8.6776 119.6471 56.7446 29.8754 176.0556 69 K 4.7868 8.0434 117.4471 54.0136 32.5661 175.1008 70 R 4.7678 8.6067 122.4820 55.2099 32.7728 174.4286 71 F 5.7682 8.1756 117.1314 55.5282 43.5187 173.9299 72 R 4.7174 9.1450 122.6805 54.7141 32.2840 176.0520 73 V 3.3617 7.9152 122.2087 63.2266 31.1723 175.3475 74 L 4.2515 8.9826 133.2082 56.7414 41.7162 177.5021 75 R 5.2423 7.3444 111.9033 54.8741 33.5888 173.0710 76 L 4.7823 8.6090 121.0878 55.1250 42.4434 176.2128 77 V 4.5010 9.1493 122.6198 61.9766 34.2222 175.6795 78 E 5.2650 7.6174 120.9947 56.0364 30.9130 176.7443 79 S 4.8102 8.7194 118.7903 57.5875 64.1142 173.0519 80 G 4.0225 8.5323 108.2417 47.2234 0.0000 173.8758 81 R 4.8253 7.5205 110.7486 55.2382 31.0691 178.2636 82 M 4.2224 8.2207 118.8133 57.9030 31.8987 177.6390 83 D 4.8285 8.0314 118.7152 56.2682 39.6830 178.3535 84 L 4.1186 7.9907 120.3209 57.6516 41.8204 179.1075 85 V 3.6896 7.9250 117.6699 66.5373 31.2284 177.5445 86 E 4.0986 9.5675 118.2172 60.1981 29.2539 178.6177 87 K 4.0168 8.6041 118.8116 58.6766 31.8426 178.5427 88 Y 4.1694 7.8645 118.0254 61.2817 39.2585 178.4827 89 L 3.3094 8.6913 120.9474 58.1348 42.3681 179.2398 90 I 3.5377 7.7249 119.6523 64.4797 36.8395 178.1240 91 R 3.6749 7.9441 118.2713 59.3786 30.0521 178.1394 92 R 3.1402 7.6585 118.5194 59.3423 29.8346 177.9233 93 Q 3.7712 8.3845 119.5764 59.6723 28.8944 178.5480 94 N 4.0735 7.9416 117.0689 56.4570 37.6601 176.3910 95 Y 4.3981 8.2012 118.4672 61.9899 38.2095 179.3408 96 E 4.3546 7.8124 118.6691 59.5048 29.7247 179.1817 97 S 4.5481 7.9646 110.7584 58.4072 63.1194 174.4808 98 L 4.5972 9.2487 120.9923 55.2468 43.1855 177.7747 99 S 4.6466 7.3513 116.8531 58.2531 63.7287 175.5297 100 K 4.2952 7.8318 114.7109 55.2139 31.4756 176.9966 *101 R 4.1415 7.9588 119.8406 56.1888 30.0213 176.0368 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 2 P 0.00 4.33 0.00 2.19 2.14 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 3 K 8.95 3.75 0.00 1.81 1.93 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.45 7.81 4 K 7.58 4.30 0.00 1.90 1.90 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.65 7.81 5 V 8.36 5.04 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 0.86 0.00 0.00 0.98 0.00 0.00 6 L 8.48 4.67 0.00 1.28 1.15 0.26 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.16 5.23 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 1.24 0.00 0.00 8 G 8.82 4.57 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 0.00 9 V 8.04 4.55 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 1.03 0.00 0.00 0.93 0.00 0.00 10 V 8.86 4.12 2.22 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 0.91 0.00 0.00 0.94 0.00 0.00 11 V 9.38 4.37 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 0.63 0.00 0.00 0.80 0.00 0.00 12 S 7.85 4.65 0.00 3.90 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 13 D 8.94 4.96 0.00 2.85 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 14 K 7.75 4.53 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.39 7.81 15 M 7.72 4.71 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 16 Q 8.66 4.22 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.29 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 17 K 10.07 4.23 0.00 2.04 2.05 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.44 7.81 18 T 7.64 5.30 4.27 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 1.33 0.00 0.00 19 V 8.59 4.92 2.10 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 1.16 0.00 0.00 0.91 0.00 0.00 20 T 8.53 4.54 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 1.11 0.00 0.00 21 V 9.26 4.51 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 0.88 0.00 0.00 0.86 0.00 0.00 22 L 8.77 4.36 0.00 1.51 1.41 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 23 V 9.03 4.56 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 0.83 0.00 0.00 0.79 0.00 0.00 24 E 8.83 4.87 0.00 1.91 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 2.33 2.32 0.00 25 R 9.03 4.65 0.00 1.91 2.01 0.00 2.90 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 26 Q 8.86 4.87 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.97 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 27 F 7.86 4.77 0.00 3.17 3.12 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 0.00 28 P 0.00 4.64 0.00 2.02 2.06 0.00 3.87 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 29 H 10.33 4.07 0.00 3.17 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.37 0.00 2.17 2.22 0.00 3.52 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.01 0.00 31 L 7.93 4.59 0.00 1.31 0.99 0.91 0.62 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 32 Y 8.06 5.05 0.00 2.57 2.67 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 33 G 8.45 3.57 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 0.00 34 K 9.04 4.44 0.00 1.79 2.22 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.42 7.81 35 V 7.77 3.50 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 0.88 0.00 0.00 0.92 0.00 0.00 36 I 8.29 4.54 1.73 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.06 0.90 0.00 0.00 37 K 8.72 4.27 0.00 1.68 1.81 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.44 7.81 38 R 8.40 4.85 0.00 2.15 1.92 0.00 3.46 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 39 S 8.24 5.15 0.00 3.91 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.90 4.67 0.00 1.79 1.74 0.00 1.14 0.00 0.00 0.96 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.79 1.16 7.81 41 K 8.41 5.05 0.00 1.55 1.59 0.00 1.42 0.00 0.00 1.24 0.00 0.00 2.70 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.16 1.33 7.81 42 Y 8.68 4.54 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.56 5.14 0.00 1.78 1.62 0.92 0.80 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 44 A 9.03 5.71 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 45 H 8.85 4.57 0.00 3.30 3.21 0.00 5.81 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 9.15 5.13 0.00 2.73 2.57 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 47 P 0.00 4.24 0.00 2.19 2.09 0.00 3.74 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.85 0.00 48 E 8.22 4.20 0.00 2.05 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 2.37 2.33 0.00 49 E 8.92 4.04 0.00 2.07 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 2.29 2.40 0.00 50 K 7.78 3.89 0.00 1.54 1.80 0.00 1.29 0.00 0.00 1.59 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 0.68 7.81 51 Y 8.48 4.51 0.00 3.34 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 52 K 9.19 4.68 0.00 1.87 1.97 0.00 1.49 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.86 1.52 7.81 53 L 8.20 4.14 0.00 1.79 1.66 1.03 1.18 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 54 G 8.72 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 0.00 0.00 0.00 55 D 7.96 4.67 0.00 2.71 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 56 V 8.74 4.62 2.10 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 0.88 0.00 0.00 0.94 0.00 0.00 57 V 8.64 4.89 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 0.64 0.00 0.00 0.93 0.00 0.00 58 E 8.85 4.73 0.00 1.92 1.83 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 2.27 2.27 0.00 59 I 9.34 4.76 1.74 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.88 0.86 0.00 0.00 60 I 8.99 4.52 1.87 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 1.06 1.39 0.97 0.00 0.00 61 E 8.88 3.03 0.00 1.88 1.68 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 2.03 1.74 0.00 62 S 8.00 4.77 0.00 3.69 3.68 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 63 R 8.41 3.89 0.00 1.73 1.80 0.00 3.42 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 64 P 0.00 4.36 0.00 2.07 2.02 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 65 I 8.38 3.96 1.84 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.37 0.69 0.00 0.00 66 S 7.63 4.47 0.00 3.90 3.77 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 67 K 8.20 3.75 0.00 1.80 1.75 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.46 7.81 68 R 8.68 3.80 0.00 1.95 2.02 0.00 3.25 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 69 K 8.04 4.79 0.00 1.88 1.90 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.52 7.81 70 R 8.61 4.77 0.00 2.01 1.82 0.00 3.22 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 71 F 8.18 5.77 0.00 2.88 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 72 R 9.15 4.72 0.00 1.73 1.84 0.00 3.14 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 73 V 7.92 3.36 1.68 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 -0.57 0.00 0.00 0.76 0.00 0.00 74 L 8.98 4.25 0.00 1.66 1.64 0.93 0.83 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 75 R 7.34 5.24 0.00 1.95 2.04 0.00 3.20 0.00 0.00 3.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 76 L 8.61 4.78 0.00 1.87 1.68 1.15 0.83 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 77 V 9.15 4.50 2.13 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 0.87 0.00 0.00 0.94 0.00 0.00 78 E 7.62 5.26 0.00 2.22 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 0.00 2.13 2.07 0.00 79 S 8.72 4.81 0.00 3.86 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 80 G 8.53 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 81 R 7.52 4.83 0.00 2.13 1.95 0.00 3.39 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 82 M 8.22 4.22 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.57 0.00 83 D 8.03 4.83 0.00 2.83 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 4.12 0.00 1.90 1.77 0.93 0.85 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 85 V 7.92 3.69 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 1.08 0.00 0.00 0.99 0.00 0.00 86 E 9.57 4.10 0.00 2.24 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 2.52 2.52 0.00 87 K 8.60 4.02 0.00 2.04 1.77 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.61 7.81 88 Y 7.86 4.17 0.00 3.02 3.11 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 0.00 0.00 0.00 0.00 89 L 8.69 3.31 0.00 1.83 1.56 0.91 0.97 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 90 I 7.72 3.54 2.03 0.00 0.00 0.81 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 0.87 0.88 0.00 0.00 91 R 7.94 3.67 0.00 1.74 2.08 0.00 3.30 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 92 R 7.66 3.14 0.00 1.47 1.63 0.00 2.97 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 1.58 1.79 0.00 93 Q 8.38 3.77 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.52 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 94 N 7.94 4.07 0.00 2.80 2.75 0.00 0.00 6.95 7.06 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 95 Y 8.20 4.40 0.00 3.02 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 96 E 7.81 4.35 0.00 2.28 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 2.36 2.35 0.00 97 S 7.96 4.55 0.00 4.01 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 98 L 9.25 4.60 0.00 1.79 1.79 1.07 0.86 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 99 S 7.35 4.65 0.00 4.08 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.30 0.00 1.75 1.77 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.48 7.81 *101 R 7.96 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.