NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 E 4.3526 8.4449 116.7535 55.7203 32.1185 176.6158 10 E 4.2152 8.3117 121.2468 54.7438 28.4031 174.7230 11 E 4.4798 7.6977 117.3065 55.7018 34.0453 174.8652 12 E 4.4770 8.5367 124.6098 53.6206 32.3503 174.3896 13 L 3.9444 8.7422 128.1304 55.5423 42.2941 176.0647 14 V 4.3095 8.0789 125.1318 60.8841 34.4918 174.6350 15 D 4.5970 8.5190 126.3093 52.4266 40.4497 174.6399 16 P 4.2814 0.0000 0.0000 65.8296 30.6662 177.6819 17 L 3.9587 8.0931 120.0673 58.5079 42.0994 178.7757 18 T 3.8938 7.9589 109.5822 65.0356 68.5053 176.4283 19 T 4.1145 7.7224 119.3055 66.3044 68.7529 176.6809 20 I 3.8751 7.9992 121.4288 64.1685 36.8176 178.7951 21 R 3.9930 8.0686 119.0408 59.5507 29.5995 178.3177 22 E 4.2566 8.2117 118.4280 59.0275 29.6388 178.5944 23 H 4.0199 8.5358 117.9314 59.9383 30.0529 176.7172 24 C 4.3153 8.2489 117.9486 60.0169 39.9254 175.7896 25 E 4.0075 8.0786 118.6171 58.9249 29.0229 178.3452 26 Q 4.4023 7.2665 115.5415 55.4345 29.5001 176.0315 27 T 4.3248 7.7394 118.9546 62.3099 70.8943 175.0274 28 E 3.9154 8.8486 125.5385 59.8996 29.4046 179.7359 29 K 4.0301 7.9380 117.5739 59.4597 31.9518 179.1510 30 C 4.1691 7.9351 116.5647 62.7172 28.2949 175.6772 31 V 3.6920 8.2476 120.2638 66.3757 31.1295 178.1747 32 K 3.9744 8.0288 117.3109 59.3208 31.8746 179.3184 33 A 4.0286 7.8262 121.0912 55.2813 18.3248 179.5227 34 R 3.6345 9.9009 117.1553 59.5791 29.8560 178.1300 35 E 3.9742 8.3798 119.2151 59.1948 29.5803 178.5648 36 R 3.9424 7.7602 117.2816 59.8594 30.3486 178.2094 37 L 4.0148 8.0911 120.2496 57.6624 42.1840 178.4899 38 E 3.8657 8.1116 118.8484 59.1084 29.6489 179.7186 39 L 4.0242 7.6867 119.0209 57.7036 41.8344 177.9971 40 C 4.1752 8.4445 118.6872 59.7476 41.8282 174.9269 41 D 4.2486 7.9709 118.5393 57.8463 40.9912 178.0968 42 A 3.9122 7.9283 119.9273 56.1276 18.0946 179.7397 43 R 3.9645 7.8740 114.7544 58.7038 29.7613 179.0060 44 V 3.7083 8.1528 118.4682 65.7700 31.5596 177.9574 45 S 4.2732 8.6002 114.8803 60.8318 63.2478 175.8821 46 S 4.6120 8.1328 117.8275 56.3353 62.0344 174.1356 47 R 4.6635 7.1083 117.9054 56.4971 34.2355 175.8103 48 S 4.6520 8.6496 116.6941 58.8684 63.6267 173.9925 49 H 4.9266 7.8418 117.3417 55.3011 31.2881 173.1172 50 T 3.9057 7.9280 113.8568 62.9254 67.4045 173.5487 51 E 4.1606 8.6537 127.5584 57.4699 30.1475 176.5436 52 E 4.1325 7.8494 119.2253 56.7220 30.2011 175.5644 53 Q 4.5989 8.0423 119.5057 54.1610 32.9399 175.6721 54 C 5.5386 8.3873 118.3369 56.8792 39.7318 176.4501 55 T 3.3999 7.7753 118.3304 66.5205 67.9821 175.2230 56 E 3.8984 7.9716 120.3205 59.8891 29.5392 179.0879 57 E 4.2541 8.0356 118.9565 58.5799 29.4486 178.9769 58 L 3.9674 7.8343 120.4741 58.1600 42.1086 178.9241 59 F 4.6195 8.2984 118.0428 60.9916 38.4442 177.0479 60 D 4.5004 8.2373 118.4438 57.8076 40.6304 178.9480 61 F 4.2159 8.2213 120.3460 61.3921 39.4245 176.8729 62 L 3.8089 8.6297 118.7412 58.1579 41.4012 179.2834 63 H 3.9817 9.0712 118.1527 59.1603 29.8798 177.2526 64 A 3.9040 7.8630 122.4266 55.1668 18.1665 179.3076 65 R 3.5548 8.0526 117.4842 59.8011 30.2162 178.3854 66 D 4.2938 8.3040 118.8404 57.5035 40.5857 178.3627 67 H 4.0634 8.2833 118.2925 59.3260 29.6364 176.1513 68 C 4.3459 8.1550 120.1548 59.8801 41.1008 175.4948 69 V 3.4901 8.0544 119.7637 66.0387 30.5668 177.6677 70 A 3.8539 7.8723 119.8391 55.7137 18.0898 179.2123 71 H 3.9689 7.7226 112.1668 58.2652 28.9469 176.2360 72 K 4.4566 7.1962 116.9180 58.5877 33.6117 179.0975 73 L 3.7919 8.3390 121.0619 58.1493 42.5082 179.0799 74 F 4.3990 8.4934 116.6219 59.7939 39.2308 177.2037 75 N 4.4560 8.8513 118.5509 55.9590 38.3800 176.3788 76 K 4.2040 7.6445 114.2358 57.3072 32.6014 176.9166 77 L 4.5075 7.0597 118.2425 53.2037 43.2200 176.7884 78 K 4.1304 8.2862 118.8830 56.7516 32.1692 176.9447 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 *9 E 8.44 4.35 0.00 1.73 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.40 0.00 10 E 8.31 4.22 0.00 2.03 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 2.31 2.39 0.00 11 E 7.70 4.48 0.00 1.91 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 2.22 2.28 0.00 12 E 8.54 4.48 0.00 1.86 1.77 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 2.18 2.21 0.00 13 L 8.74 3.94 0.00 1.62 1.60 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.08 4.31 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 0.87 0.00 0.00 0.97 0.00 0.00 15 D 8.52 4.60 0.00 2.75 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 16 P 0.00 4.28 0.00 2.31 2.34 0.00 3.75 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 2.08 2.05 0.00 17 L 8.09 3.96 0.00 1.80 1.88 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.96 3.89 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 1.23 0.00 0.00 19 T 7.72 4.11 4.42 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 1.22 0.00 0.00 20 I 8.00 3.88 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 1.54 1.23 0.96 0.00 0.00 21 R 8.07 3.99 0.00 1.92 2.04 0.00 3.38 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 22 E 8.21 4.26 0.00 2.22 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 2.37 2.67 0.00 23 H 8.54 4.02 0.00 3.28 3.36 0.00 5.78 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 24 C 8.25 4.32 0.00 3.18 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 25 E 8.08 4.01 0.00 2.16 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 0.00 2.60 2.73 0.00 26 Q 7.27 4.40 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 27 T 7.74 4.32 4.31 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 1.21 0.00 0.00 28 E 8.85 3.92 0.00 2.02 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 2.39 2.44 0.00 29 K 7.94 4.03 0.00 1.80 1.81 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.49 7.81 30 C 7.94 4.17 0.00 3.26 3.09 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 31 V 8.25 3.69 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 1.05 0.00 0.00 1.05 0.00 0.00 32 K 8.03 3.97 0.00 2.04 1.87 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.73 7.81 33 A 7.83 4.03 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 34 R 9.90 3.63 0.00 2.05 2.42 0.00 3.29 0.00 0.00 2.78 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 35 E 8.38 3.97 0.00 2.31 2.09 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 2.30 2.34 0.00 36 R 7.76 3.94 0.00 2.02 2.02 0.00 3.23 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 37 L 8.09 4.01 0.00 1.72 1.66 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.11 3.87 0.00 1.98 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 2.22 2.54 0.00 39 L 7.69 4.02 0.00 1.81 1.69 0.91 1.12 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 40 C 8.44 4.18 0.00 2.95 3.22 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 0.00 0.00 0.00 0.00 41 D 7.97 4.25 0.00 2.77 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.93 3.91 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.87 3.96 0.00 1.99 2.07 0.00 3.06 0.00 0.00 2.99 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.50 0.00 44 V 8.15 3.71 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 0.86 0.00 0.00 0.97 0.00 0.00 45 S 8.60 4.27 0.00 3.99 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 46 S 8.13 4.61 0.00 4.05 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 47 R 7.11 4.66 0.00 1.95 1.82 0.00 3.21 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.83 0.00 48 S 8.65 4.65 0.00 3.83 3.88 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 0.00 0.00 0.00 0.00 49 H 7.84 4.93 0.00 2.98 3.25 0.00 5.93 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.93 3.91 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 1.20 0.00 0.00 51 E 8.65 4.16 0.00 1.97 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 2.24 2.19 0.00 52 E 7.85 4.13 0.00 1.91 1.85 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 2.27 2.33 0.00 53 Q 8.04 4.60 0.00 1.97 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.30 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 54 C 8.39 5.54 0.00 2.88 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 55 T 7.78 3.40 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 0.42 0.00 0.00 56 E 7.97 3.90 0.00 2.03 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 2.41 2.50 0.00 57 E 8.04 4.25 0.00 2.19 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 2.39 2.29 0.00 58 L 7.83 3.97 0.00 1.73 1.71 1.04 0.84 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 59 F 8.30 4.62 0.00 3.28 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 D 8.24 4.50 0.00 2.99 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 61 F 8.22 4.22 0.00 3.14 3.37 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 0.00 0.00 0.00 0.00 62 L 8.63 3.81 0.00 2.03 1.81 1.16 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 63 H 9.07 3.98 0.00 3.36 3.43 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.86 3.90 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 65 R 8.05 3.55 0.00 0.89 1.42 0.00 3.13 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 66 D 8.30 4.29 0.00 2.89 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 67 H 8.28 4.06 0.00 3.27 3.45 0.00 5.76 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 68 C 8.16 4.35 0.00 3.06 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.05 3.49 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 1.00 0.00 0.00 0.98 0.00 0.00 70 A 7.87 3.85 1.32 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 0.00 0.00 71 H 7.72 3.97 0.00 3.29 3.44 0.00 5.80 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.20 4.46 0.00 1.80 1.82 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.58 7.81 73 L 8.34 3.79 0.00 1.85 1.88 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.49 4.40 0.00 3.00 3.09 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 75 N 8.85 4.46 0.00 2.70 2.90 0.00 0.00 7.00 8.06 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 76 K 7.64 4.20 0.00 1.81 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.42 7.81 77 L 7.06 4.51 0.00 1.39 1.35 0.67 0.76 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 78 K 8.29 4.13 0.00 1.69 1.67 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.