NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 3.9738 8.0544 120.4023 62.4373 32.5120 174.8346 7 D 4.2979 8.8259 126.8052 54.7939 40.1288 174.2061 8 C 5.0690 8.3778 123.8931 56.5324 41.7419 176.1707 9 S 4.0218 8.0031 117.3380 61.1593 62.5671 174.4640 10 E 4.4446 8.2056 119.1615 56.4864 29.4543 175.0917 11 Y 4.5878 7.6870 116.1430 55.2320 41.2735 173.5852 12 P 5.0701 0.0000 0.0000 62.4383 32.6696 175.9237 13 K 4.5559 9.0863 118.7937 54.3979 35.8552 175.1847 14 P 4.3410 0.0000 0.0000 64.7347 31.7484 176.3957 15 A 4.7421 7.7783 120.6012 50.5225 20.6217 176.4789 16 C 5.1760 8.3503 118.0627 54.7551 44.2937 174.2491 17 T 4.2211 8.4397 111.6405 62.2645 68.8298 173.7003 18 L 4.7575 8.0814 120.0820 54.4537 42.4073 176.5905 19 E 4.0701 7.7082 118.6202 56.0345 30.1536 175.3112 20 Y 4.7308 8.5457 127.4679 56.6970 38.8728 175.0800 21 R 4.6152 8.6036 129.7020 53.7709 30.3254 172.1320 22 P 4.6893 0.0000 0.0000 62.3702 33.3572 176.1728 23 L 4.8680 8.8182 121.0304 53.0408 45.7038 174.5589 24 C 5.0992 8.7500 123.2978 54.8308 46.3306 173.7639 25 G 4.6064 9.2285 114.7277 45.5293 0.0000 174.4334 26 S 4.3203 9.1197 115.4504 60.3808 62.9756 174.9051 27 D 4.5674 8.1610 119.2409 52.8224 39.5117 175.6360 28 N 4.1782 8.1496 116.8453 54.6061 38.0742 172.9736 29 K 4.4869 8.1291 117.0719 54.4663 34.5070 175.1110 30 T 4.6378 8.1861 123.3609 63.1702 69.5080 173.5335 31 Y 4.5317 9.0850 124.7877 56.0256 39.9495 177.5065 32 G 3.6920 9.0420 112.7717 48.6285 0.0000 172.4916 33 N 5.3169 7.7638 116.2572 51.6513 41.5375 175.1076 34 K 3.9736 8.5762 120.1750 59.7125 32.1419 178.9727 35 C 4.4394 8.2219 119.6925 59.2452 41.5345 175.1288 36 N 4.3264 8.5405 118.0535 56.2332 38.0626 177.1446 37 F 3.4160 8.3237 121.9699 61.4218 39.5211 176.5988 38 C 3.7125 8.1964 116.4332 59.7170 40.5666 175.7991 39 N 4.2004 7.8229 117.8978 56.2932 38.2062 177.3129 40 A 3.8527 7.5227 122.1394 54.7707 18.2912 179.8185 41 V 3.1442 7.1896 117.1812 65.9996 31.4590 178.4433 42 V 3.5026 7.5857 117.8532 66.1056 31.1487 177.8183 43 E 3.9591 7.9945 117.4025 58.9568 29.3109 178.5205 44 S 4.3993 7.8035 112.1200 57.4014 63.2770 173.7536 45 N 3.8237 9.0148 119.8112 54.9918 37.5614 174.8212 46 G 3.9157 8.3471 102.8517 45.4004 0.0000 175.4517 47 T 4.0286 7.3935 110.8350 63.6145 69.2788 175.4305 48 L 4.0437 7.8210 124.8001 54.8865 42.5389 175.5485 49 T 4.8487 8.6414 115.2814 59.6630 72.8486 172.0192 50 L 4.3501 8.3497 123.5221 54.3689 42.2500 176.0295 51 S 4.4018 8.8729 122.6005 60.7656 62.7909 173.5398 52 H 4.5996 7.2383 112.0283 54.6538 30.9837 173.2819 53 F 4.1473 8.7912 118.6457 58.3629 39.4307 176.2116 54 G 4.0709 8.7980 109.2396 44.8196 0.0000 173.6394 55 K 4.1648 8.0349 117.8428 56.3885 33.3486 177.8844 56 C 4.4986 8.7809 117.3899 57.5379 41.0122 173.8027 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 6 V 8.05 3.97 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 1.05 0.00 0.00 0.82 0.00 0.00 7 D 8.83 4.30 0.00 2.81 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.38 5.07 0.00 2.95 2.93 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 0.00 0.00 0.00 9 S 8.00 4.02 0.00 4.00 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 10 E 8.21 4.44 0.00 1.93 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 11 Y 7.69 4.59 0.00 3.16 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 12 P 0.00 5.07 0.00 2.22 2.09 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 13 K 9.09 4.56 0.00 1.67 1.65 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.13 1.09 7.81 14 P 0.00 4.34 0.00 2.19 2.20 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 15 A 7.78 4.74 1.27 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 0.00 0.00 0.00 16 C 8.35 5.18 0.00 2.99 3.03 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 17 T 8.44 4.22 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 1.25 0.00 0.00 18 L 8.08 4.76 0.00 1.68 1.74 0.95 0.95 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 19 E 7.71 4.07 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 20 Y 8.55 4.73 0.00 2.92 2.93 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 0.00 0.00 0.00 21 R 8.60 4.62 0.00 1.95 1.70 0.00 3.14 0.00 0.00 3.17 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 22 P 0.00 4.69 0.00 1.96 1.53 0.00 3.35 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.51 0.00 23 L 8.82 4.87 0.00 1.47 1.10 0.98 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.75 5.10 0.00 2.86 2.53 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 25 G 9.23 4.61 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 0.00 0.00 0.00 26 S 9.12 4.32 0.00 3.99 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 27 D 8.16 4.57 0.00 2.86 2.87 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 28 N 8.15 4.18 0.00 2.88 2.92 0.00 0.00 6.93 6.44 0.00 0.00 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 8.13 4.49 0.00 1.79 1.79 0.00 1.56 0.00 0.00 1.42 0.00 0.00 2.62 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.30 1.06 7.81 30 T 8.19 4.64 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 1.23 0.00 0.00 31 Y 9.08 4.53 0.00 3.05 3.03 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 32 G 9.04 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.76 5.32 0.00 3.08 3.09 0.00 0.00 6.39 7.13 0.00 0.00 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 K 8.58 3.97 0.00 1.94 1.93 0.00 1.84 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.55 1.58 7.81 35 C 8.22 4.44 0.00 3.20 3.40 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 36 N 8.54 4.33 0.00 3.15 3.05 0.00 0.00 6.71 7.95 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 37 F 8.32 3.42 0.00 2.98 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 8.20 3.71 0.00 1.53 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 0.00 0.00 0.00 39 N 7.82 4.20 0.00 2.85 2.86 0.00 0.00 6.88 6.76 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 40 A 7.52 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.19 3.14 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 0.84 0.00 0.00 -0.02 0.00 0.00 42 V 7.59 3.50 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.97 0.00 0.00 43 E 7.99 3.96 0.00 2.08 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 2.33 2.47 0.00 44 S 7.80 4.40 0.00 4.03 4.08 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 45 N 9.01 3.82 0.00 2.81 2.87 0.00 0.00 7.20 7.93 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 46 G 8.35 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 47 T 7.39 4.03 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 1.25 0.00 0.00 48 L 7.82 4.04 0.00 1.51 1.38 1.12 0.25 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 49 T 8.64 4.85 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 1.26 0.00 0.00 50 L 8.35 4.35 0.00 1.13 1.39 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.87 4.40 0.00 3.91 3.93 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 0.00 0.00 0.00 52 H 7.24 4.60 0.00 3.23 3.30 0.00 5.71 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.79 4.15 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 54 G 8.80 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.03 4.16 0.00 1.92 1.88 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 56 C 8.78 4.50 0.00 2.95 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