NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.6037 8.3044 120.6129 55.3775 32.7558 174.4563 1 K 4.1400 8.6902 127.1964 54.9151 33.8600 173.6469 2 K 5.1348 8.8397 126.8182 54.5763 35.9229 174.5202 3 A 4.8970 9.2425 128.5630 50.0416 22.0022 174.8629 4 V 4.7747 8.8742 122.2464 60.9912 34.2616 174.7976 5 I 4.1809 8.7547 128.6104 59.6932 39.7875 174.6996 6 N 4.9137 8.7529 125.9485 51.4094 37.8873 175.7481 7 G 4.3828 9.3219 114.7136 48.0633 0.0000 172.8405 8 E 4.4806 8.1242 113.9673 56.7801 29.8332 176.9288 9 Q 4.4414 8.2567 118.0546 55.8772 30.0111 175.4809 10 I 4.3214 7.5549 120.2105 60.6705 37.2457 175.8013 11 R 4.4969 8.2444 121.3353 55.6677 30.4396 175.9087 12 S 4.5442 7.2287 112.7244 56.8998 66.4307 176.1198 13 I 3.7792 8.0142 121.4244 64.0141 37.6666 177.6907 14 S 4.1237 8.0295 113.8077 61.4592 62.3924 175.4280 15 D 4.3438 8.1866 120.7665 57.1503 40.9107 177.9777 16 L 3.9063 7.9203 120.9359 58.5457 42.0492 178.7670 17 H 4.4018 8.2566 116.1259 58.9737 28.6613 177.8538 18 Q 4.0545 8.3881 120.0066 59.2503 28.5210 178.9867 19 T 3.8408 8.0224 116.7638 66.5462 68.3875 176.8003 20 L 3.9294 7.9443 120.9293 57.5573 41.5587 179.3559 21 K 3.4636 8.1394 119.7743 59.1905 32.1826 178.7931 22 K 3.8474 7.8904 119.5806 59.6688 32.0364 178.6753 23 E 3.9146 8.3092 117.7348 59.1513 29.4401 178.0562 24 L 4.2786 8.1670 115.5338 53.6660 42.3626 176.0963 25 A 3.7580 7.4699 120.6843 53.1271 16.4305 177.2385 26 L 3.5047 7.6255 120.0162 53.4265 42.9789 176.2887 27 P 3.6864 0.0000 0.0000 62.0239 31.5757 177.5862 28 E 3.7939 8.3165 119.2187 59.4034 29.3065 177.4261 29 Y 4.4209 6.9687 114.6384 56.4726 38.3775 174.3477 30 Y 4.0955 7.7380 122.3455 58.2409 38.8683 177.5441 31 G 3.2090 8.4219 115.8083 46.3084 0.0000 172.5490 32 E 3.1497 5.9000 118.5928 56.3266 27.5185 173.5970 33 N 4.8311 6.7542 113.9411 50.5196 42.0621 174.1912 34 L 4.1140 8.4949 120.1685 58.1536 41.6054 179.5910 35 D 4.4736 8.2229 118.2197 57.2625 40.8733 178.4752 36 A 4.0793 8.9936 121.7905 54.8261 18.2074 179.5052 37 L 4.1547 8.3195 119.1253 58.1904 42.2711 178.9054 38 W 4.1983 8.5017 128.1355 60.5701 30.6114 177.6818 39 A 3.9847 8.4834 120.4954 55.1765 17.7192 179.5189 40 A 4.0742 8.2086 119.3205 55.2029 18.2658 179.7468 41 L 4.0255 8.0741 116.8401 56.7899 41.8092 178.4900 42 T 4.4810 7.4074 107.5456 61.3683 69.6244 175.1563 43 G 4.2953 7.9150 109.8260 44.8043 0.0000 172.3930 44 W 4.9903 8.1421 128.8711 58.0957 38.1754 175.0756 45 V 3.4829 7.9355 117.7842 62.9235 31.4009 174.8595 46 E 4.2401 8.0148 125.6758 54.8506 31.0949 174.9337 47 Y 4.8223 7.8077 119.4603 55.0543 41.1876 173.7339 48 P 4.9344 0.0000 0.0000 63.0764 32.9765 174.8716 49 L 5.2407 9.1795 123.1155 53.3855 45.8290 175.0887 50 V 4.6563 8.8641 126.0785 61.2017 33.8542 173.9485 51 L 4.9334 9.0332 131.7589 53.6003 43.7458 174.6334 52 E 4.9338 9.2527 129.4940 54.5770 31.3650 174.5224 53 W 5.0911 9.2513 135.0000 55.8207 31.9145 174.8793 54 R 4.4352 9.1984 126.7446 55.9755 31.4711 176.6844 55 Q 3.6115 8.7692 119.4071 56.6590 27.2176 175.7423 56 F 3.7186 8.2106 120.7429 61.2562 39.5175 175.1554 57 E 3.9084 8.3717 116.7483 59.8356 28.9915 179.2635 58 Q 3.9527 8.0242 118.5105 58.8187 28.8930 178.6808 59 S 4.2158 7.7779 115.7392 61.3279 62.7559 176.4360 60 K 3.6855 7.6180 122.4219 59.4531 31.6382 178.8518 61 Q 3.9896 7.4120 117.0777 59.0171 28.9027 178.5083 62 L 3.9964 7.6756 118.0703 55.2747 41.9533 177.6650 63 T 4.0802 6.8763 115.0341 65.0826 68.7018 172.3527 *65 N 4.7918 8.4340 119.1557 52.1310 40.2458 177.7777 66 G 3.8396 8.0264 102.5039 47.9021 0.0000 175.7137 67 A 4.3267 7.9012 122.8213 55.2767 18.3813 179.1416 68 E 4.0987 8.3110 117.6695 59.4081 29.5481 179.0160 69 S 4.1979 7.6643 112.9018 61.3051 63.2248 176.4822 70 V 3.9537 8.0062 121.4606 65.8160 31.4263 177.6950 71 L 4.4259 8.6991 120.4769 58.5793 41.8167 178.9193 72 Q 4.1134 8.6101 118.2156 59.0428 28.6003 179.1046 73 V 3.7311 7.8168 119.2200 65.9807 31.5882 178.1773 74 F 4.1749 8.4342 117.1716 60.7351 38.8720 177.7485 75 R 4.0847 8.4554 117.7657 59.0922 29.8290 178.7996 76 E 3.9932 8.7157 119.3147 59.2447 29.7081 178.6538 77 A 4.2112 8.5537 120.9760 55.0612 18.2708 179.5354 78 K 4.2706 8.5899 119.2191 59.2406 32.1190 178.9979 79 A 4.0908 8.1235 119.7873 54.4352 18.2983 177.9625 80 E 4.6019 7.9891 116.0406 57.0012 31.0049 177.1031 81 G 3.9649 7.8486 109.8089 45.2719 0.0000 175.0213 82 A 3.3725 7.9023 122.7485 51.7948 19.3887 176.9911 83 D 4.7317 8.1943 123.2343 53.1820 40.4782 173.5641 84 I 5.1228 7.8247 122.3237 59.1525 40.5934 174.5474 85 T 4.6237 8.9366 122.8950 61.8535 71.2705 172.9156 86 I 4.8556 8.4677 127.2370 59.6279 39.3610 175.0728 87 I 4.3233 8.9299 128.3305 59.6735 39.5744 175.0171 88 L 4.9902 8.6122 128.8499 53.3678 42.1317 177.0475 89 S 4.4557 8.4990 118.9244 58.1988 63.2266 174.1633 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 0 M 8.30 4.60 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 1 K 8.69 4.14 0.00 1.88 1.76 0.00 1.48 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.37 1.47 7.81 2 K 8.84 5.13 0.00 1.74 1.59 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.54 7.81 3 A 9.24 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.87 4.77 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 0.80 0.00 0.00 0.92 0.00 0.00 5 I 8.75 4.18 1.23 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 -0.13 0.23 0.00 0.00 6 N 8.75 4.91 0.00 2.71 3.18 0.00 0.00 6.94 7.59 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 7 G 9.32 4.38 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 0.00 8 E 8.12 4.48 0.00 2.25 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 2.29 2.25 0.00 9 Q 8.26 4.44 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 10 I 7.55 4.32 2.02 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 1.31 0.64 0.95 0.00 0.00 11 R 8.24 4.50 0.00 1.93 2.01 0.00 3.10 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.53 0.00 12 S 7.23 4.54 0.00 4.02 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 13 I 8.01 3.78 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.31 0.96 0.00 0.00 14 S 8.03 4.12 0.00 3.96 3.87 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 15 D 8.19 4.34 0.00 2.86 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 16 L 7.92 3.91 0.00 1.94 1.87 0.60 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.26 4.40 0.00 3.50 3.55 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.39 4.05 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.69 0.00 19 T 8.02 3.84 4.28 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 1.10 0.00 0.00 20 L 7.94 3.93 0.00 1.84 1.65 1.06 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.14 3.46 0.00 1.83 1.96 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.25 7.81 22 K 7.89 3.85 0.00 2.00 1.87 0.00 1.55 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.49 7.81 23 E 8.31 3.91 0.00 1.99 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 2.55 0.00 24 L 8.17 4.28 0.00 1.66 1.72 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.47 3.76 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 26 L 7.63 3.50 0.00 1.13 0.98 -0.13 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 3.69 0.00 0.57 0.79 0.00 2.77 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.44 0.00 28 E 8.32 3.79 0.00 2.03 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 2.20 2.35 0.00 29 Y 6.97 4.42 0.00 3.03 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 30 Y 7.74 4.10 0.00 2.87 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 31 G 8.42 3.21 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 0.00 0.00 0.00 0.00 32 E 5.90 3.15 0.00 1.74 1.84 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 2.36 2.26 0.00 33 N 6.75 4.83 0.00 2.88 2.75 0.00 0.00 6.11 6.67 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 34 L 8.49 4.11 0.00 1.76 1.83 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.22 4.47 0.00 2.88 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 36 A 8.99 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.32 4.15 0.00 2.05 2.03 0.85 0.88 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 38 W 8.50 4.20 0.00 3.48 3.28 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 39 A 8.48 3.98 1.53 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 40 A 8.21 4.07 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.07 4.03 0.00 1.29 1.63 0.29 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.41 4.48 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 -0.01 0.00 0.00 43 G 7.91 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 0.00 0.00 0.00 0.00 44 W 8.14 4.99 0.00 3.34 3.15 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 45 V 7.94 3.48 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 0.36 0.00 0.00 1.04 0.00 0.00 46 E 8.01 4.24 0.00 1.74 1.65 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 1.98 2.07 0.00 47 Y 7.81 4.82 0.00 2.97 2.85 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 48 P 0.00 4.93 0.00 2.17 2.40 0.00 3.66 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 2.10 1.99 0.00 49 L 9.18 5.24 0.00 1.83 1.86 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.86 4.66 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 0.91 0.00 0.00 0.95 0.00 0.00 51 L 9.03 4.93 0.00 1.63 1.41 0.65 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 52 E 9.25 4.93 0.00 2.05 1.82 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 2.28 2.27 0.00 53 W 9.25 5.09 0.00 3.46 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 54 R 9.20 4.44 0.00 1.91 1.90 0.00 3.36 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 55 Q 8.77 3.61 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 56 F 8.21 3.72 0.00 2.74 2.86 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 57 E 8.37 3.91 0.00 2.19 2.25 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 2.37 2.38 0.00 58 Q 8.02 3.95 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 59 S 7.78 4.22 0.00 3.61 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 60 K 7.62 3.69 0.00 1.36 1.82 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.17 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.39 1.44 7.81 61 Q 7.41 3.99 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 62 L 7.68 4.00 0.00 1.69 1.73 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 63 T 6.88 4.08 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 1.29 0.00 0.00 *65 N 8.43 4.79 0.00 2.67 2.87 0.00 0.00 6.59 7.96 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 66 G 8.03 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 0.00 0.00 0.00 67 A 7.90 4.33 1.11 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 0.00 0.00 68 E 8.31 4.10 0.00 2.22 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 2.42 2.48 0.00 69 S 7.66 4.20 0.00 4.26 4.06 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 70 V 8.01 3.95 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 1.41 0.00 0.00 1.15 0.00 0.00 71 L 8.70 4.43 0.00 1.79 1.88 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.61 4.11 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 73 V 7.82 3.73 2.33 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 1.25 0.00 0.00 1.09 0.00 0.00 74 F 8.43 4.17 0.00 3.48 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 75 R 8.46 4.08 0.00 2.09 2.04 0.00 3.10 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 76 E 8.72 3.99 0.00 2.13 2.27 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 2.39 2.31 0.00 77 A 8.55 4.21 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 78 K 8.59 4.27 0.00 2.01 2.09 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.31 7.81 79 A 8.12 4.09 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 80 E 7.99 4.60 0.00 2.25 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 2.52 2.70 0.00 81 G 7.85 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 82 A 7.90 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.19 4.73 0.00 2.74 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 84 I 7.82 5.12 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.59 1.08 0.00 0.00 85 T 8.94 4.62 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 1.22 0.00 0.00 86 I 8.47 4.86 1.87 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 1.35 0.60 0.90 0.00 0.00 87 I 8.93 4.32 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.09 0.93 0.00 0.00 88 L 8.61 4.99 0.00 1.43 1.53 0.60 0.51 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 89 S 8.50 4.46 0.00 3.84 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 * Residues marked with a * may have inaccurate shift predictions.