NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 R 4.3543 8.2549 119.0579 55.1930 30.9091 178.9265 8 P 2.9700 0.0000 0.0000 62.0405 31.9080 173.3067 9 N 5.0731 8.6001 119.1074 51.9890 43.3249 173.7907 10 H 4.4269 9.0711 119.4135 58.4879 30.1095 175.2177 11 T 5.3379 8.2639 115.5661 61.6760 71.0640 173.7521 12 I 4.8668 8.5754 119.3681 59.3816 40.5740 173.8370 13 Y 4.4594 8.7169 126.9038 56.2763 40.2905 173.9990 14 I 4.6996 7.5615 128.4141 59.5488 39.4768 174.8320 15 N 5.2213 8.2493 124.0818 51.4480 41.0879 174.0965 16 N 4.0853 8.7345 115.1719 54.7830 37.4004 174.3418 17 L 4.3900 7.5297 114.9202 53.3585 42.4513 176.5443 18 N 4.4325 8.6991 120.4746 53.8371 39.4908 175.0491 19 E 4.1573 8.7448 125.1258 58.4870 30.0069 178.5268 20 K 4.1691 8.0702 117.1137 57.6215 32.2843 176.8252 21 I 4.0913 6.7183 119.6677 59.3086 38.4167 176.5024 22 K 3.9884 8.3668 124.0240 56.4470 33.7651 177.9475 23 K 3.8872 8.5750 122.5644 59.9002 32.1637 178.7105 24 D 4.3710 8.0087 117.6606 56.8515 41.3207 177.6799 25 E 3.9211 8.0800 119.4546 59.2224 29.7989 178.2013 26 L 4.1798 8.0574 120.4182 58.3476 41.8429 178.8904 27 K 4.0391 7.9691 119.3944 59.3988 31.9597 178.9294 28 K 4.1852 8.1396 118.8624 59.4556 32.0520 179.5489 29 S 4.3794 8.8815 115.7869 61.5518 62.6674 176.7450 30 L 4.1884 8.3280 122.0014 57.8278 41.2827 178.5125 31 H 4.3141 7.9820 115.0806 58.2085 29.8739 176.6835 32 A 4.2151 7.8144 121.7866 54.6131 18.1932 178.5911 33 I 4.0329 7.0888 114.8382 63.1468 38.1042 177.6846 34 F 4.7803 8.4354 117.1700 58.8628 38.9963 177.7033 35 S 4.3259 8.1181 114.4387 60.8149 62.6473 176.2831 36 R 3.8609 7.2580 119.5277 58.9968 29.3851 177.8068 37 F 4.1834 7.7755 116.7973 58.3360 39.1290 175.0939 38 G 4.6150 7.0082 107.3558 43.6812 0.0000 172.4072 39 Q 4.2639 8.2208 118.4619 55.8924 29.3961 175.0725 40 I 4.4398 8.1049 121.3955 59.8579 39.0735 175.6848 41 L 4.2575 9.0858 126.2396 57.5175 42.0857 176.8523 42 D 4.6045 7.6491 115.3834 53.2676 44.7444 173.9117 43 I 4.8376 8.3572 124.6368 59.6283 39.7189 174.9830 44 L 4.5633 9.0461 128.9297 53.4379 42.9621 175.9642 45 V 4.7744 8.4166 123.8524 61.0851 33.9550 174.5729 46 S 4.7606 8.7662 120.5514 56.7581 65.6231 173.0628 47 R 4.5660 8.3593 121.6164 55.5785 30.9453 175.8042 48 S 4.3294 7.5852 111.4069 58.3327 63.7012 174.7859 49 L 3.8830 8.7357 123.8656 58.4141 41.6547 178.6802 50 K 4.1585 8.0638 117.2395 58.6675 32.3477 176.9261 51 M 4.8118 8.0656 116.1995 54.6595 32.8476 175.6599 52 R 4.3129 7.9385 115.6869 56.7580 30.9516 176.8159 53 G 3.9277 8.9003 107.4837 45.8324 0.0000 172.5337 54 Q 4.9865 7.6525 116.3279 53.9772 32.6010 174.3909 55 A 4.8415 8.1725 121.3246 50.6983 23.5891 175.3621 56 F 4.8904 8.8695 117.5696 55.7822 42.4210 174.5639 57 V 4.1287 8.1502 124.6734 61.4102 33.0967 174.8092 58 I 4.6022 8.2915 130.1195 59.8938 37.9673 175.1008 59 F 4.8829 8.6423 126.3242 56.4159 39.4752 176.6305 60 K 4.1784 8.7253 123.7238 58.6381 32.4212 177.2086 61 E 4.7940 7.9807 117.4112 53.9815 32.2557 176.9918 62 V 3.5156 8.3045 122.0136 65.8646 31.6420 177.9668 63 S 4.0511 8.1356 112.6603 61.8582 61.8612 176.3971 64 S 4.0469 7.7476 117.1665 61.5410 62.5352 176.6911 65 A 3.6518 7.5195 122.8359 55.2208 18.1976 179.7449 66 T 3.9483 8.1286 114.4674 66.7459 68.5725 176.7886 67 N 4.2486 7.9369 117.8120 56.3666 38.6236 177.2791 68 A 2.5800 7.3166 121.9271 54.4235 18.0082 179.4982 69 L 3.7409 7.5571 118.7479 58.3892 41.9500 179.4919 70 R 3.7973 7.6476 116.7463 58.8232 29.9952 178.8091 71 S 4.3914 7.7308 114.5053 61.4661 63.5628 175.9455 72 M 4.2850 7.8751 119.3701 54.7920 31.7710 176.0997 73 Q 4.0149 6.9731 121.3075 57.7448 29.3381 176.7231 74 G 3.9156 8.8209 113.2250 45.4887 0.0000 172.9578 75 F 4.2286 8.3499 123.5942 57.1075 39.6322 172.7615 76 P 4.5086 0.0000 0.0000 62.4482 31.7693 175.8434 77 F 4.4815 9.0213 125.9567 57.8267 41.8801 173.8068 78 Y 3.5130 8.5539 127.7962 59.4094 35.1236 171.0638 79 D 4.5224 8.2681 114.1366 54.5605 39.0362 174.1321 80 K 4.7764 7.7744 119.2277 53.5732 35.6555 173.9215 81 P 4.6822 0.0000 0.0000 62.9664 31.9818 176.3940 82 M 4.4214 9.1069 123.9985 55.4471 33.7525 175.5873 83 R 4.7962 8.4558 119.9657 55.1966 33.2682 173.7104 84 I 4.9380 8.3995 127.3232 59.7788 39.9708 174.9645 85 Q 4.5552 8.9446 123.6744 54.3814 33.5790 173.8280 86 Y 4.8636 8.3693 116.8215 57.2021 39.2919 175.8903 87 A 4.2788 9.0720 126.9375 52.6959 18.4558 179.0512 88 K 4.1256 9.0082 124.1385 56.9724 32.1491 175.0476 89 T 4.8331 7.4084 106.1639 59.2322 71.8872 173.2863 90 D 4.6861 8.4293 121.8751 54.4713 41.6114 177.4212 91 S 4.3720 8.3391 117.7598 58.1000 65.0240 175.3426 92 D 4.2691 8.5302 124.2909 57.7953 40.4426 179.2000 93 I 3.7499 7.6618 117.1464 63.5188 38.0162 177.5884 94 I 3.9264 7.4173 119.4263 63.9794 37.4870 177.5030 95 A 4.1549 8.6251 123.1587 55.3641 18.3366 178.1359 96 K 4.1342 8.2321 122.5693 54.7681 31.9095 178.2417 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 *7 R 8.25 4.35 0.00 1.85 1.13 0.00 3.23 0.00 0.00 3.22 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 8 P 0.00 2.97 0.00 1.81 1.49 0.00 3.39 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 9 N 8.60 5.07 0.00 2.66 2.97 0.00 0.00 7.06 7.89 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 10 H 9.07 4.43 0.00 3.24 3.66 0.00 5.83 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.26 5.34 4.40 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 1.45 0.00 0.00 12 I 8.58 4.87 1.85 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.56 0.95 0.00 0.00 13 Y 8.72 4.46 0.00 2.98 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 I 7.56 4.70 1.58 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.26 0.80 0.00 0.00 15 N 8.25 5.22 0.00 2.57 2.46 0.00 0.00 6.24 7.75 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 16 N 8.73 4.09 0.00 2.84 3.02 0.00 0.00 6.91 7.78 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 17 L 7.53 4.39 0.00 1.78 1.68 0.87 1.13 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 18 N 8.70 4.43 0.00 2.75 2.65 0.00 0.00 7.08 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 19 E 8.74 4.16 0.00 2.05 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 2.46 2.32 0.00 20 K 8.07 4.17 0.00 2.03 1.78 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.28 7.81 21 I 6.72 4.09 1.43 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.21 0.64 0.00 0.00 22 K 8.37 3.99 0.00 1.77 1.73 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.47 7.81 23 K 8.57 3.89 0.00 1.79 1.81 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.46 7.81 24 D 8.01 4.37 0.00 2.80 2.65 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 25 E 8.08 3.92 0.00 2.09 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 2.51 2.44 0.00 26 L 8.06 4.18 0.00 1.91 1.78 1.26 0.31 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 27 K 7.97 4.04 0.00 2.04 1.99 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.61 7.81 28 K 8.14 4.19 0.00 2.08 1.90 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.71 7.81 29 S 8.88 4.38 0.00 4.41 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.33 4.19 0.00 1.82 1.84 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 31 H 7.98 4.31 0.00 3.43 3.49 0.00 5.75 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.81 4.22 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.09 4.03 1.49 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.92 0.31 0.00 0.00 34 F 8.44 4.78 0.00 3.22 3.43 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 0.00 35 S 8.12 4.33 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 36 R 7.26 3.86 0.00 1.59 1.89 0.00 2.21 0.00 0.00 2.68 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.77 0.00 37 F 7.78 4.18 0.00 2.98 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 38 G 7.01 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.22 4.26 0.00 2.32 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.84 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 40 I 8.10 4.44 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.62 0.72 0.00 0.00 41 L 9.09 4.26 0.00 1.55 1.72 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.65 4.60 0.00 2.66 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.36 4.84 1.88 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 1.19 0.71 0.88 0.00 0.00 44 L 9.05 4.56 0.00 1.72 1.69 0.94 0.34 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 45 V 8.42 4.77 2.11 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 0.81 0.00 0.00 0.96 0.00 0.00 46 S 8.77 4.76 0.00 3.85 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.36 4.57 0.00 1.75 1.85 0.00 3.47 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 48 S 7.59 4.33 0.00 4.20 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 49 L 8.74 3.88 0.00 1.61 1.79 0.93 0.60 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 50 K 8.06 4.16 0.00 1.78 1.86 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.49 7.81 51 M 8.07 4.81 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 52 R 7.94 4.31 0.00 1.92 2.06 0.00 3.11 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.78 0.00 53 G 8.90 3.93 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 0.00 0.00 0.00 54 Q 7.65 4.99 0.00 1.85 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 55 A 8.17 4.84 1.07 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 0.00 0.00 0.00 0.00 0.00 56 F 8.87 4.89 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 57 V 8.15 4.13 1.55 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 0.03 0.00 0.00 0.39 0.00 0.00 58 I 8.29 4.60 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.60 0.93 0.00 0.00 59 F 8.64 4.88 0.00 3.16 2.99 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 60 K 8.73 4.18 0.00 1.76 1.94 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.47 7.81 61 E 7.98 4.79 0.00 2.03 1.81 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 2.35 2.23 0.00 62 V 8.30 3.52 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 1.01 0.00 0.00 0.65 0.00 0.00 63 S 8.14 4.05 0.00 3.91 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 64 S 7.75 4.05 0.00 3.60 3.38 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 65 A 7.52 3.65 1.55 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 0.00 0.00 66 T 8.13 3.95 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 1.31 0.00 0.00 67 N 7.94 4.25 0.00 2.93 3.05 0.00 0.00 6.93 6.75 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 68 A 7.32 2.58 0.80 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 0.00 0.00 0.00 0.00 0.00 69 L 7.56 3.74 0.00 1.65 1.62 -0.14 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.65 3.80 0.00 1.95 1.96 0.00 3.21 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 71 S 7.73 4.39 0.00 3.94 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 72 M 7.88 4.28 0.00 1.84 2.15 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.42 0.00 73 Q 6.97 4.01 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.91 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 74 G 8.82 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 75 F 8.35 4.23 0.00 3.05 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 76 P 0.00 4.51 0.00 1.73 1.82 0.00 3.00 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.94 0.00 77 F 9.02 4.48 0.00 3.13 2.99 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 78 Y 8.55 3.51 0.00 3.00 2.80 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 0.00 0.00 0.00 79 D 8.27 4.52 0.00 2.83 2.80 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 0.00 0.00 0.00 80 K 7.77 4.78 0.00 1.92 1.87 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.38 7.81 81 P 0.00 4.68 0.00 2.09 2.06 0.00 3.78 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 2.00 2.00 0.00 82 M 9.11 4.42 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.53 0.00 83 R 8.46 4.80 0.00 1.85 1.88 0.00 3.06 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 84 I 8.40 4.94 1.77 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 1.18 0.75 0.82 0.00 0.00 85 Q 8.94 4.56 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 86 Y 8.37 4.86 0.00 2.90 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 87 A 9.07 4.28 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 88 K 9.01 4.13 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.00 7.81 89 T 7.41 4.83 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 1.20 0.00 0.00 90 D 8.43 4.69 0.00 2.68 2.64 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 91 S 8.34 4.37 0.00 3.85 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 92 D 8.53 4.27 0.00 2.64 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 93 I 7.66 3.75 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.73 0.89 0.00 0.00 94 I 7.42 3.93 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.93 0.75 0.00 0.00 95 A 8.63 4.15 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.23 4.13 0.00 1.76 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.24 7.81 * Residues marked with a * may have inaccurate shift predictions.