NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 C 4.5532 8.2033 118.3651 58.7924 28.7488 173.7198 4 P 4.0497 0.0000 0.0000 64.7129 31.0438 176.7939 5 L 3.9399 8.6176 120.0228 58.2714 42.5995 178.3774 6 E 3.9780 8.1328 118.0843 59.3219 29.3620 179.1239 7 K 3.9933 8.3914 119.5945 59.2297 32.2236 178.7797 8 A 4.0075 8.3113 121.6368 55.0930 18.3470 179.5348 9 L 3.9752 8.0792 117.5440 57.9073 41.6454 179.0231 10 D 4.3846 8.1386 117.9321 57.6387 41.1102 178.6506 11 V 3.6763 8.1831 118.8050 66.2369 31.6444 177.8098 12 M 4.2415 8.2290 118.4031 58.5977 31.9912 179.0145 13 V 4.1244 8.1031 118.3010 66.2799 31.7646 178.3262 14 S 4.3798 8.6802 115.4238 61.8844 62.1741 176.7235 15 T 4.0361 8.3690 118.6563 66.5406 68.2054 176.3234 16 F 3.7130 7.9606 121.5568 61.6829 39.2139 176.8381 17 H 4.9034 8.0328 115.1180 57.3924 28.3650 177.5511 18 K 3.8970 7.9889 121.1435 58.7780 31.6377 177.3042 19 Y 4.4813 7.3031 115.8719 58.7509 39.3942 178.1559 20 S 4.0592 7.9069 114.9467 60.9225 63.2214 175.7585 21 G 3.7848 7.3767 106.2379 45.3683 0.0000 174.7877 22 K 4.0543 7.7817 119.9804 58.5450 32.1522 177.0134 23 E 4.7042 8.1814 113.9956 54.6658 33.5631 177.5236 24 G 3.5317 8.4842 107.7633 46.1720 0.0000 174.5048 25 D 4.3229 8.5468 123.1688 54.3017 41.4272 177.5114 26 K 3.9755 8.4277 126.0324 58.5710 32.2486 177.7183 27 F 5.2837 8.5227 116.5728 56.9062 39.1980 175.2153 28 K 5.1101 7.6526 117.8656 54.9313 36.5095 175.7925 29 L 4.7752 9.1277 124.1761 53.5338 43.2339 176.6100 30 N 4.9684 9.0398 122.7260 51.5189 39.3471 176.2612 31 K 3.8175 8.8220 118.2332 60.4812 32.1174 178.8812 32 S 3.9556 7.9736 113.5592 61.0506 62.4742 175.8011 33 E 3.9662 9.2674 121.8687 59.3002 29.1145 179.0718 34 L 3.9327 8.2760 120.8304 57.8720 42.1397 178.8382 35 K 3.9648 8.0009 119.5666 59.5646 32.0690 178.5354 36 E 3.9032 7.9853 118.6501 59.2882 29.3494 179.0374 37 L 2.8089 7.3781 120.0726 57.8378 42.0903 179.0378 38 L 4.0983 8.1104 118.9769 58.0959 41.3596 179.7252 39 T 3.9767 8.0024 116.9041 67.4701 68.5713 177.3319 40 R 4.2700 8.3090 121.0708 60.1620 29.6820 179.2906 41 E 4.8670 8.4800 116.0006 56.3866 32.1393 176.1117 42 L 4.9842 7.9382 118.7475 53.1540 42.6421 176.4549 43 P 4.3966 0.0000 0.0000 65.8434 31.8515 179.0687 44 S 4.1396 8.0581 114.3019 61.2280 63.1911 175.4227 45 F 4.2712 8.3041 122.1186 61.1105 39.2082 175.5843 46 L 4.0346 6.9728 115.9145 54.0339 43.5404 177.3613 *51 D 4.8150 7.8008 119.0699 53.8400 40.1912 177.3886 52 E 4.6257 8.8112 115.8380 56.7971 31.0506 176.8593 53 A 3.9923 8.2721 120.6668 55.1467 18.5828 179.4840 54 A 3.9174 8.0079 118.7964 55.2004 18.4541 179.7508 55 F 3.9376 8.1660 116.0117 60.7456 39.1018 177.4855 56 Q 4.1670 8.5159 121.7787 59.7357 28.8818 179.0483 57 K 4.0621 8.3665 124.9640 59.5402 31.6752 181.4590 58 L 4.1181 7.8893 119.5800 58.0990 41.7697 179.0057 59 M 3.9791 8.5562 118.4877 58.8180 31.8017 178.2875 60 S 4.0903 8.0069 112.2676 61.4511 62.7117 175.4892 61 N 4.4802 7.8312 117.8333 56.4517 38.3642 177.1152 62 L 4.2359 7.8368 119.2802 56.6559 43.1186 178.0954 63 D 5.6443 8.0349 120.8683 52.7705 38.3577 176.5506 64 S 4.1831 8.1593 117.8741 60.2713 63.4878 175.7863 65 N 4.5582 9.0308 119.5070 52.6964 37.5449 175.8383 66 R 3.9808 7.4153 116.4209 57.7980 27.2233 181.2399 67 D 4.7239 8.0852 115.1687 54.2877 39.6371 177.9568 68 N 4.4691 9.1218 114.8145 53.0519 35.9014 177.1262 69 E 4.9943 7.8221 115.6297 55.8395 34.5098 175.1165 70 V 4.6178 8.8258 122.1240 61.5294 33.3273 175.3141 71 D 5.1814 8.6644 128.2014 52.3630 41.4477 177.1979 72 F 3.0040 8.8399 119.6874 61.0832 39.2349 176.5770 73 Q 3.8418 8.0970 118.6818 59.2954 29.0270 177.9827 74 E 4.0251 9.6071 120.6512 59.3179 29.4224 178.7342 75 Y 4.1757 7.9767 119.8712 60.7778 38.8312 177.7549 76 C 3.6765 7.8511 117.8664 62.6122 28.1411 176.1012 77 V 3.4995 7.4752 119.4721 66.0422 31.1702 177.7726 78 F 4.2322 7.9982 120.0431 61.3951 39.1135 177.1488 79 L 3.3442 7.4706 118.5171 57.4481 41.2876 179.3999 80 S 3.9741 8.2037 115.5966 61.7348 62.8160 176.3188 81 C 3.9935 8.0430 121.1908 62.5515 31.3090 175.7284 82 I 3.5222 7.2126 120.6843 64.2051 36.5542 178.1301 83 A 3.9165 8.0343 121.8995 55.3519 17.9462 178.9653 84 M 3.8920 8.2984 115.7431 59.4089 32.4541 178.1332 85 M 4.2473 7.8625 118.1890 58.6791 32.0169 178.5073 86 C 4.1830 8.2242 116.8654 62.9243 28.3963 175.6658 87 N 4.5660 8.6866 118.9697 56.8005 38.5292 176.5716 88 E 4.0283 8.0756 119.7309 59.4398 29.3262 178.8757 89 F 4.0363 7.8891 119.6540 61.6104 39.6549 177.0927 90 F 4.2807 8.4264 116.4409 59.6944 38.5040 177.5534 91 E 4.3471 7.8691 118.5140 55.9827 28.5545 177.1711 92 G 3.9431 8.4214 114.1208 45.8901 0.0000 174.1863 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 3 C 8.20 4.55 0.00 3.01 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 4 P 0.00 4.05 0.00 2.23 2.12 0.00 3.60 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 5 L 8.62 3.94 0.00 1.74 1.65 0.91 0.97 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 6 E 8.13 3.98 0.00 2.06 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 2.41 2.37 0.00 7 K 8.39 3.99 0.00 1.83 1.96 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 8 A 8.31 4.01 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 9 L 8.08 3.98 0.00 1.90 1.78 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.14 4.38 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 11 V 8.18 3.68 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 1.06 0.00 0.00 1.03 0.00 0.00 12 M 8.23 4.24 0.00 2.27 2.38 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.57 0.00 13 V 8.10 4.12 2.19 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 0.99 0.00 0.00 1.15 0.00 0.00 14 S 8.68 4.38 0.00 3.99 3.95 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 15 T 8.37 4.04 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 16 F 7.96 3.71 0.00 2.43 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 17 H 8.03 4.90 0.00 3.37 3.37 0.00 5.69 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 18 K 7.99 3.90 0.00 1.74 1.82 0.00 1.63 0.00 0.00 1.28 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.58 1.18 7.81 19 Y 7.30 4.48 0.00 2.72 2.84 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 20 S 7.91 4.06 0.00 3.82 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 21 G 7.38 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 22 K 7.78 4.05 0.00 2.01 1.85 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.29 7.81 23 E 8.18 4.70 0.00 1.96 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 2.16 2.20 0.00 24 G 8.48 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.55 4.32 0.00 2.71 2.59 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 26 K 8.43 3.98 0.00 0.90 1.40 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.03 7.81 27 F 8.52 5.28 0.00 3.13 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.65 5.11 0.00 2.03 1.80 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.28 7.81 29 L 9.13 4.78 0.00 1.59 1.57 1.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 30 N 9.04 4.97 0.00 2.85 2.95 0.00 0.00 6.26 6.59 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 31 K 8.82 3.82 0.00 1.94 2.12 0.00 1.47 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.47 7.81 32 S 7.97 3.96 0.00 3.85 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 33 E 9.27 3.97 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 2.35 2.50 0.00 34 L 8.28 3.93 0.00 1.79 1.83 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.00 3.96 0.00 1.76 1.79 0.00 1.26 0.00 0.00 1.35 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 0.21 7.81 36 E 7.99 3.90 0.00 2.21 1.98 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 2.38 2.32 0.00 37 L 7.38 2.81 0.00 1.02 1.60 1.02 0.66 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 38 L 8.11 4.10 0.00 1.93 1.86 1.05 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.00 3.98 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 40 R 8.31 4.27 0.00 1.86 1.84 0.00 3.23 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 41 E 8.48 4.87 0.00 2.11 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 0.00 2.37 2.67 0.00 42 L 7.94 4.98 0.00 1.81 1.70 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.40 0.00 2.25 2.36 0.00 3.82 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 2.11 2.03 0.00 44 S 8.06 4.14 0.00 3.93 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 45 F 8.30 4.27 0.00 2.97 3.31 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 46 L 6.97 4.03 0.00 1.75 1.52 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 *51 D 7.80 4.81 0.00 2.85 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 0.00 0.00 0.00 52 E 8.81 4.63 0.00 2.01 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 2.27 2.25 0.00 53 A 8.27 3.99 1.42 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 0.00 0.00 54 A 8.01 3.92 1.24 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 0.00 0.00 0.00 55 F 8.17 3.94 0.00 3.33 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 56 Q 8.52 4.17 0.00 2.34 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 57 K 8.37 4.06 0.00 1.80 1.80 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.35 7.81 58 L 7.89 4.12 0.00 1.90 1.68 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 59 M 8.56 3.98 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 60 S 8.01 4.09 0.00 4.01 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 61 N 7.83 4.48 0.00 2.91 2.88 0.00 0.00 7.14 7.85 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 62 L 7.84 4.24 0.00 1.55 1.66 0.15 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.03 5.64 0.00 2.90 2.62 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 64 S 8.16 4.18 0.00 4.03 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 65 N 9.03 4.56 0.00 2.91 3.11 0.00 0.00 6.99 7.34 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 66 R 7.42 3.98 0.00 1.96 1.90 0.00 3.25 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 67 D 8.09 4.72 0.00 2.88 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 68 N 9.12 4.47 0.00 2.91 2.87 0.00 0.00 6.65 7.32 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 69 E 7.82 4.99 0.00 1.90 1.97 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 2.25 2.40 0.00 70 V 8.83 4.62 2.21 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 1.17 0.00 0.00 0.96 0.00 0.00 71 D 8.66 5.18 0.00 2.93 2.93 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 72 F 8.84 3.00 0.00 2.57 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 73 Q 8.10 3.84 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 74 E 9.61 4.03 0.00 2.21 2.18 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 2.35 2.58 0.00 75 Y 7.98 4.18 0.00 3.15 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 76 C 7.85 3.68 0.00 2.93 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 77 V 7.48 3.50 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 1.07 0.00 0.00 0.94 0.00 0.00 78 F 8.00 4.23 0.00 3.01 3.07 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 79 L 7.47 3.34 0.00 1.43 1.33 0.39 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.20 3.97 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 81 C 8.04 3.99 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.21 3.52 1.58 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.03 0.74 0.00 0.00 83 A 8.03 3.92 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 84 M 8.30 3.89 0.00 1.95 2.26 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.64 0.00 85 M 7.86 4.25 0.00 2.18 2.24 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 2.72 2.61 0.00 86 C 8.22 4.18 0.00 3.20 3.08 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 87 N 8.69 4.57 0.00 2.94 3.08 0.00 0.00 7.21 7.37 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 88 E 8.08 4.03 0.00 2.37 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 0.00 2.33 2.20 0.00 89 F 7.89 4.04 0.00 2.89 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 90 F 8.43 4.28 0.00 3.47 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 91 E 7.87 4.35 0.00 2.05 1.98 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 2.67 2.43 0.00 92 G 8.42 3.94 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.