NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4617 8.1633 118.3247 55.2547 33.5237 173.6319 2 Q 4.7720 8.2248 118.6592 52.9079 30.7043 173.4120 3 I 4.4427 9.0071 117.3875 58.8637 42.1241 173.6783 4 F 5.4274 8.7187 120.9420 55.6627 42.2273 174.7048 5 V 4.7588 9.1281 123.1133 61.1509 34.0613 174.1664 6 K 5.0017 9.0640 128.5366 55.3421 33.7403 176.4630 7 T 4.7829 8.5934 115.1156 60.3422 71.2152 175.4583 8 L 4.3427 8.5808 120.7533 55.9488 41.9523 177.6410 9 T 4.3152 7.9107 108.3155 61.3197 68.9193 175.3279 10 G 3.8688 8.0434 109.0035 45.5865 0.0000 173.1968 11 K 4.6236 7.8597 120.3198 54.6783 34.8425 175.0430 12 T 4.9758 8.3925 122.3856 61.9487 70.7209 173.6057 13 I 4.3111 9.1596 128.7895 60.5808 38.8769 174.9044 14 T 5.0265 8.5819 123.9100 62.2440 69.9416 174.1337 15 L 4.7765 8.7317 126.1730 52.7765 45.4237 175.0314 16 E 4.8635 8.6400 123.4503 55.2443 30.4985 175.3056 17 V 4.7632 8.8430 119.6486 60.0810 36.6167 174.0538 18 E 4.8174 8.6783 119.5262 53.9914 32.9927 176.1731 19 P 4.3264 0.0000 0.0000 64.9558 31.6510 178.6717 20 S 4.2620 7.8889 111.4757 59.5975 63.8431 174.3594 21 D 4.3578 7.9292 122.9114 54.9581 41.0604 176.5337 22 T 4.6283 8.2760 114.1332 61.2269 71.2239 175.8466 23 I 3.6990 8.5248 123.1030 64.2382 37.0563 178.1119 24 E 3.9107 7.9863 119.9974 59.8671 29.3608 179.0443 25 N 4.3870 8.1027 115.7187 55.9537 38.4318 177.8187 26 V 3.5506 7.4936 119.7769 65.9353 31.6375 178.1608 27 K 4.3192 8.6275 119.7341 58.8708 31.8177 179.1255 28 A 3.9765 8.1497 120.9716 55.1090 18.4276 179.8338 29 K 3.9228 8.1774 117.0874 59.5663 32.0314 179.7033 30 I 3.6905 7.9793 120.2212 64.3121 37.0521 177.9372 31 Q 4.1340 8.1170 121.9237 58.7503 28.5666 178.4096 32 D 4.3803 7.9654 118.1848 57.5178 40.9596 178.7218 33 K 4.2211 7.8211 117.0407 58.1368 32.3437 177.6320 34 E 4.4851 8.4494 115.8007 55.0235 31.3681 177.1052 35 G 3.8612 8.5888 106.8863 45.4267 0.0000 173.5849 36 I 4.0069 7.3743 121.5744 59.5627 37.5176 173.6857 37 P 4.3783 0.0000 0.0000 61.9428 31.9912 175.4779 38 P 4.2284 0.0000 0.0000 66.1366 30.8885 177.5251 39 D 4.5481 8.0282 115.1679 54.5846 39.7231 176.2254 40 Q 4.4913 8.1631 118.9106 56.0651 30.2907 174.6652 41 Q 4.7989 8.2137 120.2629 54.1470 31.3279 174.7425 42 R 4.6662 8.9620 123.8370 54.5514 32.3773 174.9012 43 L 4.9934 8.3540 124.5310 53.4606 43.9083 175.9065 44 I 5.0727 8.9650 123.6670 59.6257 41.0388 174.4561 45 F 4.9474 9.1833 127.2646 57.4676 43.2386 174.0448 46 A 3.5405 8.9177 128.4408 53.2225 15.9539 177.6255 47 G 3.9228 8.3779 104.8639 46.6286 0.0000 173.9249 48 K 4.6305 7.8906 118.9549 54.0009 35.0031 175.5018 49 Q 4.6160 8.6020 122.7471 55.8693 29.2453 175.9442 50 L 3.8188 8.6022 124.9135 54.3625 42.9042 176.1069 51 E 4.5805 9.1165 122.6519 54.8582 31.2329 176.7228 52 D 4.4287 9.1847 124.9278 57.7062 41.0982 179.6825 53 G 3.6508 8.0279 105.6683 47.8058 0.0000 173.8373 54 R 4.2985 8.0840 119.7354 55.6493 31.2471 175.4579 55 T 5.0500 8.9305 109.9381 59.9860 71.1617 175.9633 56 L 4.0719 8.5451 121.9350 57.9532 41.4411 179.8285 57 S 4.0812 8.2664 114.3039 61.8933 62.3797 176.4294 58 D 4.3302 7.6475 121.1566 56.1993 39.5687 177.1285 59 Y 4.5654 7.8620 115.9373 56.5455 38.0684 175.3170 60 N 4.0715 7.8949 117.0109 54.4464 38.0649 173.9009 61 I 3.4293 6.9875 114.7411 60.4300 37.4667 175.5135 62 Q 4.6768 8.9353 124.3269 52.7996 32.1835 174.7789 63 K 3.9135 8.5012 117.4166 59.0655 32.3819 176.2439 64 E 3.7684 9.4681 120.9530 57.3867 27.7908 174.9112 65 S 4.5754 7.9909 114.8690 59.0386 64.2518 173.3904 66 T 5.1752 8.8203 119.0499 62.0985 70.6958 173.6810 67 L 5.1282 9.4530 126.4726 53.5619 45.3068 174.9871 68 H 5.4014 9.2604 116.8519 54.0155 32.5092 172.7657 69 L 5.1105 8.7132 123.4383 53.3093 44.0687 175.6065 70 V 4.4360 8.8610 126.3980 61.0309 34.2887 174.2033 71 L 4.8337 8.4608 127.8551 53.5859 42.2074 176.6297 72 R 4.0803 8.8783 126.0492 56.4223 30.6254 175.8659 73 L 4.6094 8.4690 127.1031 53.5940 44.4898 177.4061 *74 R 4.1415 8.3672 117.8319 56.6298 30.0397 176.5068 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 1 M 8.16 4.46 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 2 Q 8.22 4.77 0.00 1.93 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 3 I 9.01 4.44 1.85 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 1.10 1.26 0.80 0.00 0.00 4 F 8.72 5.43 0.00 3.01 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 5 V 9.13 4.76 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 1.00 0.00 0.00 0.93 0.00 0.00 6 K 9.06 5.00 0.00 1.33 1.57 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.34 7.81 7 T 8.59 4.78 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 1.22 0.00 0.00 8 L 8.58 4.34 0.00 1.67 1.76 0.93 0.88 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 9 T 7.91 4.32 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 1.21 0.00 0.00 10 G 8.04 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 0.00 0.00 0.00 11 K 7.86 4.62 0.00 1.88 1.65 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.39 7.81 12 T 8.39 4.98 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 1.24 0.00 0.00 13 I 9.16 4.31 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.85 0.92 0.00 0.00 14 T 8.58 5.03 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 1.24 0.00 0.00 15 L 8.73 4.78 0.00 1.46 1.47 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.64 4.86 0.00 1.91 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 2.20 2.35 0.00 17 V 8.84 4.76 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 0.67 0.00 0.00 0.89 0.00 0.00 18 E 8.68 4.82 0.00 1.80 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 2.37 0.00 19 P 0.00 4.33 0.00 2.15 2.06 0.00 3.56 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 2.04 0.00 20 S 7.89 4.26 0.00 3.96 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 21 D 7.93 4.36 0.00 2.96 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 4.63 4.33 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 0.00 0.00 0.00 1.21 0.00 0.00 23 I 8.52 3.70 2.15 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 1.77 1.15 0.88 0.00 0.00 24 E 7.99 3.91 0.00 2.16 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 2.32 2.38 0.00 25 N 8.10 4.39 0.00 2.80 2.84 0.00 0.00 6.76 7.51 0.00 0.00 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 V 7.49 3.55 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 1.07 0.00 0.00 0.97 0.00 0.00 27 K 8.63 4.32 0.00 1.94 1.85 0.00 1.84 0.00 0.00 1.91 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.46 7.81 28 A 8.15 3.98 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 29 K 8.18 3.92 0.00 1.99 1.85 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.44 1.63 7.81 30 I 7.98 3.69 2.13 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 1.40 0.77 0.91 0.00 0.00 31 Q 8.12 4.13 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 32 D 7.97 4.38 0.00 2.90 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.82 4.22 0.00 1.87 1.87 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.47 7.81 34 E 8.45 4.49 0.00 2.01 1.94 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 2.23 2.36 0.00 35 G 8.59 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 0.00 0.00 0.00 36 I 7.37 4.01 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.13 0.91 0.00 0.00 37 P 0.00 4.38 0.00 2.27 1.98 0.00 3.63 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 38 P 0.00 4.23 0.00 2.21 2.34 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 39 D 8.03 4.55 0.00 2.81 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 40 Q 8.16 4.49 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 41 Q 8.21 4.80 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 42 R 8.96 4.67 0.00 1.77 1.84 0.00 3.47 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 43 L 8.35 4.99 0.00 1.53 1.52 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.97 5.07 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.86 0.90 0.00 0.00 45 F 9.18 4.95 0.00 3.06 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 46 A 8.92 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.38 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 48 K 7.89 4.63 0.00 1.96 1.78 0.00 1.96 0.00 0.00 1.80 0.00 0.00 3.29 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.44 1.57 7.81 49 Q 8.60 4.62 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 50 L 8.60 3.82 0.00 1.29 1.03 0.70 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.12 4.58 0.00 2.00 1.92 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 2.43 2.56 0.00 52 D 9.18 4.43 0.00 2.75 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 53 G 8.03 3.65 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 0.00 0.00 0.00 54 R 8.08 4.30 0.00 2.16 1.93 0.00 3.31 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.01 0.00 55 T 8.93 5.05 4.48 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 1.23 0.00 0.00 56 L 8.55 4.07 0.00 1.83 1.68 0.85 0.73 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 57 S 8.27 4.08 0.00 4.01 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 0.00 58 D 7.65 4.33 0.00 2.42 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 0.00 0.00 0.00 0.00 59 Y 7.86 4.57 0.00 3.02 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 60 N 7.89 4.07 0.00 2.93 3.05 0.00 0.00 7.13 8.04 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 61 I 6.99 3.43 1.76 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.18 0.63 0.00 0.00 62 Q 8.94 4.68 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 63 K 8.50 3.91 0.00 1.82 1.82 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.50 7.81 64 E 9.47 3.77 0.00 2.16 2.30 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 2.57 2.60 0.00 65 S 7.99 4.58 0.00 3.75 3.75 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 0.00 0.00 0.00 0.00 66 T 8.82 5.18 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 1.29 0.00 0.00 67 L 9.45 5.13 0.00 1.63 1.70 0.84 0.97 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 68 H 9.26 5.40 0.00 3.08 3.18 0.00 5.76 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.71 5.11 0.00 1.60 1.54 0.97 1.02 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 70 V 8.86 4.44 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 1.01 0.00 0.00 0.94 0.00 0.00 71 L 8.46 4.83 0.00 1.57 1.61 0.93 0.93 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 72 R 8.88 4.08 0.00 1.90 1.83 0.00 3.22 0.00 0.00 3.23 7.19 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 L 8.47 4.61 0.00 1.65 1.54 0.92 0.92 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 *74 R 8.37 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.