NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 R 4.3347 8.2129 119.0729 56.2935 32.6511 177.8972 17 R 3.8129 7.8013 118.4250 60.7642 30.1918 179.1686 18 A 4.2664 8.8290 121.9063 55.0023 18.6973 178.8902 19 D 4.3546 8.0671 117.1477 57.2272 41.2774 178.4791 20 Q 3.9886 7.6699 119.7551 59.0349 28.9374 178.3610 21 L 4.0201 8.0581 119.8775 57.5918 41.8020 179.1575 22 A 3.9911 7.9410 120.5030 55.1542 18.2539 179.5140 23 D 4.2969 8.1485 117.6033 57.5975 40.9440 178.7996 24 E 4.0150 8.1380 118.9376 59.4343 29.4012 179.6471 25 S 4.1329 8.3398 115.4793 61.3275 63.0017 176.4407 26 L 3.9064 7.8944 123.0624 58.2738 41.9316 178.7305 27 E 3.9669 8.2484 119.2034 59.0545 29.4044 178.6705 28 S 4.0966 8.1984 113.6844 61.6267 62.5444 176.3557 29 T 3.8675 7.9478 112.3070 64.6894 68.3821 176.7534 30 R 3.9384 7.8486 120.9331 59.1299 30.0387 179.0527 31 R 3.9448 8.0919 117.9031 59.4266 30.0427 178.9133 32 M 4.0200 8.2781 118.7104 58.3391 31.9891 178.5816 33 L 3.9295 7.8458 120.2476 58.2040 42.3048 178.6684 34 Q 3.9749 8.1040 119.4754 59.2183 28.9483 178.4118 35 L 3.9907 8.0688 120.0449 58.0312 41.6435 179.9725 36 V 3.7311 7.9857 112.1524 64.0084 31.4457 178.6507 37 E 3.9570 8.2357 118.7650 59.4371 29.3579 179.0752 38 E 3.9978 8.3177 118.6367 59.5078 29.3884 179.6527 39 S 4.1411 8.1674 115.2765 61.3316 62.8861 176.5917 40 K 3.9156 8.3029 122.5470 59.6535 31.9523 178.6328 41 D 4.3476 8.1252 118.9257 57.2929 40.7184 178.6606 42 A 4.0971 8.2185 121.4809 55.0154 18.3987 179.9142 43 G 3.5634 8.3862 104.5667 48.0038 0.0000 176.0601 44 I 3.8161 7.9760 124.7902 64.8413 37.0928 179.4795 45 R 4.0119 8.0042 121.4599 61.5319 29.0666 180.9117 46 T 4.0714 8.0766 115.7431 66.7870 68.4730 176.9347 47 L 3.9854 8.0383 120.9348 57.5645 41.5860 179.7848 48 V 3.5676 7.9326 118.3219 66.2448 31.4355 177.9760 49 M 4.2092 8.2190 118.5434 58.5544 31.7298 178.8107 50 L 4.0081 8.2514 119.3636 57.6029 41.7917 179.1547 51 D 4.2796 8.1127 118.1099 57.4168 41.2242 178.1721 52 E 3.9738 8.2705 119.0822 59.5987 29.4331 179.4158 53 Q 4.3926 8.0126 119.9662 58.2914 28.7228 178.9795 54 G 3.6483 8.3787 107.0755 48.0063 0.0000 175.6388 55 E 4.0625 8.2027 120.7589 59.0454 28.9434 179.4333 56 Q 4.0188 8.1226 118.3494 58.9819 28.6846 178.8151 57 L 4.0407 8.1658 120.0849 57.7205 41.6101 179.2357 58 D 4.3585 8.1628 118.9652 57.5488 40.7361 179.1067 59 R 3.9434 8.0656 118.5123 59.0810 30.0314 179.3506 60 V 3.5545 7.9279 118.2477 65.9551 31.5611 177.7036 61 E 3.9290 8.4867 119.4505 59.1318 29.4239 178.2064 62 E 4.0031 8.3827 119.5306 59.2850 29.6503 178.8776 63 G 3.7185 8.2036 105.6589 48.3350 0.0000 175.2783 64 M 4.0726 8.0927 121.3797 58.2713 31.9933 178.7602 65 N 4.3884 8.2262 116.5190 56.3804 38.6850 177.0334 66 H 4.0795 8.4443 119.7669 59.2849 29.9779 177.2355 67 I 3.7210 7.9558 121.6909 64.4676 36.8065 177.8737 68 N 4.2894 8.0472 117.2921 56.8294 38.7245 176.9673 69 Q 3.9831 8.1278 119.3406 59.0893 28.7448 178.2742 70 D 4.4600 8.4270 120.3064 57.9061 40.8195 179.0010 71 M 4.0603 8.2549 118.9228 58.0914 31.8986 178.8700 72 K 3.9110 7.7870 118.9723 59.4413 32.2249 178.9168 73 E 3.8776 7.7842 117.8075 59.1452 29.5642 178.5000 74 A 3.9971 8.1801 121.0080 55.3225 18.4069 179.4513 75 E 3.8809 8.3480 116.9928 59.4429 29.5886 179.3877 76 K 3.8808 7.9493 119.4985 59.7169 32.2728 178.5209 77 N 4.3572 8.3187 116.6079 56.3779 38.3970 177.4477 78 L 4.0346 8.1337 120.4652 57.6106 41.7699 179.5282 79 K 3.9576 8.1248 119.7668 59.4457 31.9285 178.5722 80 D 4.4987 7.9985 118.0591 56.3532 40.8130 177.5589 81 L 4.4336 7.5103 117.3447 54.0449 41.9068 176.9991 82 G 3.8833 7.7184 106.5406 46.2490 0.0000 174.2017 83 K 4.1710 8.1998 124.8485 56.1279 32.3564 176.2082 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 16 R 8.21 4.33 0.00 1.75 1.84 0.00 3.21 0.00 0.00 3.33 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 17 R 7.80 3.81 0.00 1.89 1.96 0.00 3.23 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.33 0.00 18 A 8.83 4.27 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 19 D 8.07 4.35 0.00 2.70 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.67 3.99 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 21 L 8.06 4.02 0.00 1.75 1.69 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.94 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.15 4.30 0.00 2.98 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 24 E 8.14 4.02 0.00 2.21 2.00 0.00 0.00 0.00 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 2.47 0.00 25 S 8.34 4.13 0.00 4.01 3.91 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 26 L 7.89 3.91 0.00 1.77 1.82 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.25 3.97 0.00 2.23 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 2.30 2.36 0.00 28 S 8.20 4.10 0.00 4.01 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 29 T 7.95 3.87 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 1.25 0.00 0.00 30 R 7.85 3.94 0.00 2.08 2.01 0.00 3.26 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 31 R 8.09 3.94 0.00 2.04 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 32 M 8.28 4.02 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.55 0.00 33 L 7.85 3.93 0.00 1.90 1.82 0.92 0.65 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 34 Q 8.10 3.97 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 35 L 8.07 3.99 0.00 1.88 1.70 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.99 3.73 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 0.79 0.00 0.00 1.04 0.00 0.00 37 E 8.24 3.96 0.00 2.13 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 2.44 2.50 0.00 38 E 8.32 4.00 0.00 2.17 2.00 0.00 0.00 0.00 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 2.49 0.00 39 S 8.17 4.14 0.00 4.06 3.91 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 40 K 8.30 3.92 0.00 1.88 1.98 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 41 D 8.13 4.35 0.00 2.91 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 42 A 8.22 4.10 1.37 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 0.00 0.00 43 G 8.39 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.98 3.82 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 1.38 0.94 0.91 0.00 0.00 45 R 8.00 4.01 0.00 1.84 1.94 0.00 3.27 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 46 T 8.08 4.07 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 1.21 0.00 0.00 47 L 8.04 3.99 0.00 1.70 1.71 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.93 3.57 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 1.03 0.00 0.00 0.93 0.00 0.00 49 M 8.22 4.21 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.58 0.00 50 L 8.25 4.01 0.00 1.81 1.72 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.11 4.28 0.00 2.87 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 52 E 8.27 3.97 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 2.33 2.48 0.00 53 Q 8.01 4.39 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 54 G 8.38 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 55 E 8.20 4.06 0.00 2.21 2.01 0.00 0.00 0.00 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 2.55 0.00 56 Q 8.12 4.02 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 57 L 8.17 4.04 0.00 1.83 1.71 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.16 4.36 0.00 2.89 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 59 R 8.07 3.94 0.00 2.09 1.97 0.00 3.12 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 60 V 7.93 3.55 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 0.99 0.00 0.00 0.95 0.00 0.00 61 E 8.49 3.93 0.00 2.13 1.93 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 2.31 2.32 0.00 62 E 8.38 4.00 0.00 2.18 2.12 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 2.33 2.35 0.00 63 G 8.20 3.72 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 0.00 0.00 0.00 64 M 8.09 4.07 0.00 2.06 2.30 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 2.63 2.93 0.00 65 N 8.23 4.39 0.00 2.93 2.87 0.00 0.00 6.67 8.32 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 66 H 8.44 4.08 0.00 3.39 3.45 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.96 3.72 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 1.43 0.62 0.92 0.00 0.00 68 N 8.05 4.29 0.00 2.87 2.97 0.00 0.00 7.27 6.17 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 69 Q 8.13 3.98 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.53 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 70 D 8.43 4.46 0.00 2.88 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 0.00 0.00 0.00 0.00 71 M 8.25 4.06 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.89 0.00 72 K 7.79 3.91 0.00 1.98 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.45 7.81 73 E 7.78 3.88 0.00 2.16 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 2.30 2.20 0.00 74 A 8.18 4.00 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 75 E 8.35 3.88 0.00 2.23 2.01 0.00 0.00 0.00 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 2.38 0.00 76 K 7.95 3.88 0.00 2.04 1.99 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.36 7.81 77 N 8.32 4.36 0.00 2.94 2.85 0.00 0.00 7.06 6.36 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 78 L 8.13 4.03 0.00 1.83 1.72 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.12 3.96 0.00 2.06 1.92 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.35 7.81 80 D 8.00 4.50 0.00 2.85 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 81 L 7.51 4.43 0.00 1.82 1.70 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.72 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 0.00 0.00 0.00 83 K 8.20 4.17 0.00 1.88 1.69 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.49 7.81