NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4646 8.1633 118.3241 55.0882 33.5303 174.0500 2 Q 4.5161 8.2889 119.7522 53.7614 30.2665 173.4803 3 I 4.4446 9.1616 117.4335 58.9564 42.1634 173.6634 4 F 5.3640 8.5267 120.7301 55.7348 42.1982 175.0968 5 V 4.9907 9.0991 122.1830 61.0884 34.1823 174.3309 6 K 5.2339 9.1036 127.7449 55.4048 35.9144 175.6743 7 T 5.0802 8.1944 112.1316 59.3077 71.3849 175.2907 8 L 4.2056 8.5303 120.6842 57.1125 41.8124 178.5040 9 T 4.0357 7.3406 106.5641 62.4290 68.9742 175.5239 10 G 3.9856 7.8077 110.5504 44.7977 0.0000 174.0108 11 K 4.0961 7.9396 121.6305 57.0037 33.4849 175.5165 12 T 5.1776 8.4781 122.9180 61.8563 71.2824 173.2893 13 I 4.6017 8.9552 120.5288 59.5739 40.8524 174.4532 14 T 5.1130 8.4198 119.3450 61.9981 70.4933 173.9556 15 L 4.8195 8.6783 124.9105 52.8371 46.1334 174.9872 16 E 4.8689 8.6629 122.6534 54.9995 30.6296 175.2351 17 V 4.7511 8.6678 119.5292 59.8296 36.4181 174.4684 18 E 4.7227 9.1875 120.4432 53.9043 32.7000 175.9036 19 P 4.1926 0.0000 0.0000 65.6207 31.5195 178.1100 20 S 4.5565 7.8445 109.4369 58.2859 63.8750 174.0252 21 D 4.5476 7.9492 123.3388 54.7043 41.2677 176.3141 22 T 4.7483 8.4051 113.8476 61.1216 71.1476 176.0805 23 I 3.7002 8.2872 123.2143 64.5967 37.0704 178.6863 24 E 3.9559 8.1841 117.9065 59.4017 29.3715 178.8187 25 N 4.2883 7.9213 117.1370 56.1932 38.6413 177.5052 26 V 3.5846 7.7938 119.6107 65.9119 31.6097 178.1970 27 K 4.3683 8.6190 119.6308 58.9247 31.8600 179.1451 28 A 4.0188 8.1721 121.1352 55.0941 18.1757 179.8787 29 K 3.9771 8.1022 117.1182 59.5007 32.0974 179.7051 30 I 3.7393 7.8718 120.3545 64.2281 36.9283 178.2148 31 Q 4.3141 8.1790 121.8648 58.7874 28.6929 177.8044 32 D 4.2797 8.0773 117.9900 56.7825 41.2682 177.4295 33 K 4.2219 7.6264 118.5338 57.7267 32.7875 176.8779 34 E 4.3975 8.7332 116.2287 55.4978 31.0418 177.1083 35 G 3.8629 8.2903 106.5370 45.4785 0.0000 173.2299 36 I 4.1008 7.3903 121.3485 59.3219 37.8787 173.8869 37 P 4.4410 0.0000 0.0000 61.7136 32.2097 175.6463 38 P 4.2599 0.0000 0.0000 65.8662 31.3293 178.0075 39 D 4.5631 8.0880 114.3506 54.8850 39.4712 176.2579 40 Q 4.5152 8.2477 118.8680 56.0957 30.2639 174.7503 41 Q 4.9297 8.0641 119.7579 54.0785 31.5391 174.7338 42 R 4.7632 8.9268 122.3917 54.4033 33.3839 174.4851 43 L 5.1515 8.5061 123.6489 53.1048 44.4964 175.5221 44 I 5.1324 8.7289 123.2257 59.6872 41.4024 174.2912 45 F 5.0666 9.2184 126.8984 57.4940 43.2917 173.9444 46 A 3.5124 8.9045 127.3554 53.1990 15.9529 177.7047 47 G 3.9165 8.3384 104.4873 46.8193 0.0000 174.0592 48 K 4.6287 7.8565 118.4941 53.9825 35.2257 175.0389 49 Q 4.6469 8.5489 123.9933 55.6070 29.6392 175.4367 50 L 3.8894 8.8521 127.8901 54.7598 42.4357 176.2385 51 E 4.7228 9.1351 123.1240 54.4665 31.5765 175.8410 52 D 4.5256 8.7117 124.0062 55.7705 41.4879 176.7961 53 G 3.9988 9.6294 111.2349 45.1859 0.0000 173.9016 54 R 4.6320 7.6123 118.7885 54.8264 32.1350 175.4861 55 T 4.9107 8.4416 110.0032 59.7742 71.2151 175.8991 56 L 3.9677 8.6050 122.0188 57.9556 41.9416 180.3718 57 S 4.2078 8.3329 113.2840 61.1806 63.1396 176.1671 58 D 4.2727 7.7386 120.1073 57.0879 40.5147 176.7447 59 Y 4.4467 7.5127 113.6810 57.1822 38.1664 174.7394 60 N 4.1979 7.9792 117.3692 54.4694 37.9366 173.9887 61 I 3.5539 7.6912 117.8090 60.5441 37.6021 175.7451 62 Q 4.6226 8.4909 124.4840 52.9435 31.6977 174.6001 63 K 3.8686 8.4538 119.1279 58.7028 32.1022 175.9852 64 E 3.6825 9.2447 124.1367 57.0607 27.7830 174.7888 65 S 4.5520 7.8881 115.4934 59.1698 64.2489 173.2358 66 T 5.2116 8.7222 118.4526 62.0505 70.5472 173.7138 67 L 5.0578 9.1373 126.5852 53.6309 44.7068 175.0807 68 H 5.2328 9.1716 119.0336 54.2292 30.9888 173.6251 69 L 5.1210 8.9253 124.5993 53.2593 44.6540 175.0408 70 V 4.5961 8.7907 126.1180 61.0817 34.3771 173.9363 71 L 5.0868 8.5442 126.9620 53.3212 43.5445 176.6675 72 R 4.2995 8.6442 121.6535 56.2963 29.9741 176.0178 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 2.06 2.20 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.72 0.00 2 Q 8.29 4.52 0.00 1.92 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.73 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 3 I 9.16 4.44 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.58 0.75 0.00 0.00 4 F 8.53 5.36 0.00 3.04 2.97 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 5 V 9.10 4.99 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 1.07 0.00 0.00 0.92 0.00 0.00 6 K 9.10 5.23 0.00 1.89 1.85 0.00 1.28 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.09 1.14 7.81 7 T 8.19 5.08 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 1.22 0.00 0.00 8 L 8.53 4.21 0.00 1.67 1.78 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.34 4.04 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 1.22 0.00 0.00 10 G 7.81 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 0.00 0.00 0.00 11 K 7.94 4.10 0.00 1.86 1.70 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.49 7.81 12 T 8.48 5.18 4.22 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 1.22 0.00 0.00 13 I 8.96 4.60 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 1.25 1.32 1.01 0.00 0.00 14 T 8.42 5.11 4.29 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 1.20 0.00 0.00 15 L 8.68 4.82 0.00 1.45 1.44 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.66 4.87 0.00 1.90 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 2.18 2.34 0.00 17 V 8.67 4.75 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 0.68 0.00 0.00 0.90 0.00 0.00 18 E 9.19 4.72 0.00 1.81 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 4.19 0.00 2.16 2.10 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 2.10 2.06 0.00 20 S 7.84 4.56 0.00 3.96 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 21 D 7.95 4.55 0.00 2.87 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 22 T 8.41 4.75 4.50 0.00 0.00 0.00 0.00 0.00 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 23 I 8.29 3.70 1.90 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 1.92 1.04 0.89 0.00 0.00 24 E 8.18 3.96 0.00 2.16 2.38 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 2.36 2.35 0.00 25 N 7.92 4.29 0.00 2.97 2.90 0.00 0.00 6.58 8.91 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 26 V 7.79 3.58 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 0.93 0.00 0.00 27 K 8.62 4.37 0.00 1.99 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.44 7.81 28 A 8.17 4.02 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 29 K 8.10 3.98 0.00 1.95 1.85 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.63 7.81 30 I 7.87 3.74 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 0.68 0.94 0.00 0.00 31 Q 8.18 4.31 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.22 0.00 32 D 8.08 4.28 0.00 2.80 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 33 K 7.63 4.22 0.00 1.86 1.80 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.46 7.81 34 E 8.73 4.40 0.00 2.01 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 2.24 2.36 0.00 35 G 8.29 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 7.39 4.10 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 1.41 0.73 0.91 0.00 0.00 37 P 0.00 4.44 0.00 2.31 1.97 0.00 3.61 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.26 0.00 2.17 2.11 0.00 3.59 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 8.09 4.56 0.00 2.76 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 40 Q 8.25 4.52 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 41 Q 8.06 4.93 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 42 R 8.93 4.76 0.00 1.81 1.80 0.00 3.09 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.51 5.15 0.00 1.53 1.50 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.73 5.13 2.03 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 1.11 0.87 0.96 0.00 0.00 45 F 9.22 5.07 0.00 2.97 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.90 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.34 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 7.86 4.63 0.00 1.88 1.79 0.00 1.90 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.57 7.81 49 Q 8.55 4.65 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 50 L 8.85 3.89 0.00 1.36 1.25 0.67 -0.10 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 51 E 9.14 4.72 0.00 2.07 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 2.31 2.55 0.00 52 D 8.71 4.53 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 9.63 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 0.00 0.00 0.00 54 R 7.61 4.63 0.00 2.13 1.93 0.00 3.06 0.00 0.00 2.99 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 55 T 8.44 4.91 4.49 0.00 0.00 0.00 0.00 0.00 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 56 L 8.61 3.97 0.00 1.87 1.70 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.33 4.21 0.00 4.00 4.19 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 0.00 0.00 0.00 58 D 7.74 4.27 0.00 2.70 2.45 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 59 Y 7.51 4.45 0.00 3.17 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 60 N 7.98 4.20 0.00 2.93 3.05 0.00 0.00 7.15 7.42 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 61 I 7.69 3.55 1.80 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.11 0.57 0.00 0.00 62 Q 8.49 4.62 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 63 K 8.45 3.87 0.00 1.68 1.74 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.45 7.81 64 E 9.24 3.68 0.00 2.20 2.31 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 2.39 2.25 0.00 65 S 7.89 4.55 0.00 3.69 3.76 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 66 T 8.72 5.21 4.39 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 1.25 0.00 0.00 67 L 9.14 5.06 0.00 1.60 1.58 0.70 0.75 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 9.17 5.23 0.00 3.15 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.93 5.12 0.00 1.72 1.50 0.92 0.78 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 70 V 8.79 4.60 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 1.00 0.00 0.00 0.95 0.00 0.00 71 L 8.54 5.09 0.00 1.56 1.57 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.64 4.30 0.00 1.64 1.80 0.00 3.20 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00