NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2506 0.0000 0.0000 62.4606 33.8861 176.3842 17 S 3.5044 8.0212 108.9837 58.8607 60.8272 171.9107 18 R 4.5305 7.3980 121.6117 54.7616 30.7074 175.7159 19 K 4.4336 8.3930 114.5236 55.1872 33.9316 175.3680 20 A 4.3246 7.9371 118.5391 50.2727 18.8864 177.6606 21 K 4.3493 8.5234 122.2817 55.8731 32.7652 178.5351 22 V 3.5618 8.7126 124.0796 64.5585 31.9970 176.7869 23 K 4.2746 7.9653 120.7440 59.3353 32.3703 178.3621 24 A 4.1965 7.8857 119.8534 54.6550 18.6172 177.6880 25 T 4.3892 7.7781 111.3797 63.5079 68.3604 173.9768 26 L 4.9993 7.6102 120.5014 52.9395 46.5821 178.8634 27 G 4.4127 8.2453 113.8708 45.2785 0.0000 176.5952 28 E 4.7564 9.0213 121.7412 53.9546 31.2709 174.9991 29 F 4.9312 7.7040 115.7389 54.7890 40.9357 173.6899 30 D 4.5120 8.7274 122.6974 54.9678 41.4540 175.8684 31 L 4.7997 8.1259 117.3960 54.5179 44.1675 177.2328 32 R 4.6356 8.0401 115.9412 55.3212 31.0957 177.0110 33 D 4.7339 7.7464 119.7053 54.3320 39.0574 177.0355 34 Y 4.3850 7.7959 112.8188 57.1093 37.9514 177.7828 35 R 4.3601 7.6016 118.0818 56.5587 34.8582 176.3445 36 N 4.8125 8.5590 118.1291 57.5901 35.4470 177.2187 37 V 2.9731 7.0915 119.5365 63.4889 33.8215 176.5526 38 E 3.8418 7.4538 119.0765 58.9203 30.4258 179.2912 39 V 3.8932 8.3466 120.1933 64.0410 32.2940 178.3956 40 L 4.2278 7.8747 120.0422 56.7368 41.1982 179.3167 41 K 4.0094 8.3540 119.5925 59.4316 32.3397 178.5108 42 R 4.0013 8.0258 118.4960 58.8899 29.8295 177.5549 43 F 4.7125 8.2612 116.8790 57.7933 38.9282 174.8849 44 L 5.2686 7.7288 119.0929 52.5993 45.2585 176.3142 45 S 4.4349 8.7918 115.9087 57.6469 63.1678 173.9266 46 E 4.1254 8.7550 121.4253 59.7437 29.5979 178.4227 47 T 4.3395 7.6187 116.4012 63.5809 69.8783 175.3089 48 G 4.1917 8.5191 117.1861 45.8180 0.0000 173.5189 49 K 4.4774 7.6999 119.0016 55.1935 34.0806 176.0108 50 I 4.4982 8.1790 124.1180 60.9985 37.7663 175.9934 51 L 4.3452 8.3168 127.0099 53.9941 42.4284 175.5354 52 P 4.6004 0.0000 0.0000 61.8082 32.5470 177.5238 53 R 4.0385 8.6346 118.5319 58.9418 30.0125 179.1380 54 R 4.2029 8.0074 114.5399 58.0076 30.6072 177.1435 55 R 4.4673 8.5246 116.0984 57.7878 32.3046 177.6722 56 T 4.0215 8.2598 106.7595 63.2418 69.5453 174.1285 57 G 4.7078 7.5666 109.1182 46.5558 0.0000 172.8768 58 L 4.9765 7.3471 125.0182 54.5493 42.9102 176.4674 59 S 4.6871 8.3895 117.4255 56.3002 65.5356 175.3626 60 G 3.9921 8.7924 111.9570 47.6502 0.0000 175.4835 61 K 4.0985 7.7808 120.5203 58.8357 32.6731 178.3652 62 E 3.9206 8.0362 118.3224 59.4143 29.5118 179.1628 63 Q 3.8586 9.2768 120.1452 59.2006 29.0988 177.6794 64 R 3.8824 7.5707 119.3473 59.9452 29.7311 178.3952 65 I 3.7213 7.5485 118.0758 64.7582 37.1691 177.3801 66 L 3.7952 8.8343 121.3841 58.0594 41.7112 179.9823 67 A 3.5307 8.4309 117.1445 53.3103 19.0788 179.0483 68 K 3.8106 7.8600 118.6091 59.7214 32.6349 178.9536 69 T 4.1291 10.3132 115.2421 66.3059 68.8034 176.8254 70 I 3.6765 7.7437 121.1508 64.8090 36.9083 178.2233 71 K 3.8403 7.8646 117.4088 59.4277 31.9950 179.4429 72 R 4.0128 8.4523 118.4376 59.7912 29.8374 178.0234 73 A 3.9656 8.7336 119.4436 55.4549 17.7864 181.0672 74 R 4.1476 8.0057 115.0971 60.4515 30.0531 179.1483 75 I 3.9429 7.4742 118.2533 64.5062 37.3532 178.3889 76 L 4.1713 7.9523 117.8109 55.4608 42.0669 176.8419 77 G 3.7678 9.0594 106.9531 46.2697 0.0000 174.0210 78 L 4.4367 7.8403 116.3357 54.5058 43.0595 177.2198 79 L 4.7359 7.3743 119.4476 51.5481 44.9619 173.9850 80 P 4.5090 0.0000 0.0000 63.6264 31.5471 176.1967 81 F 4.1974 9.1133 121.1718 60.2470 39.2839 175.4800 82 T 4.6286 7.7504 114.7756 61.9867 71.7151 173.7079 83 E 4.5447 8.8193 125.6726 55.0289 31.5004 175.1926 84 K 4.5000 8.1107 118.9798 54.6545 33.9649 176.3630 85 L 4.1942 8.3206 124.2347 54.4670 42.2637 176.3602 86 V 4.1261 8.0749 125.8212 62.7823 32.6079 174.5070 87 R 4.4393 8.3396 131.0014 54.1696 27.6519 175.9283 88 K 4.1276 7.7672 122.6527 57.0007 33.2017 174.5184 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 P 0.00 4.25 0.00 2.06 2.17 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 17 S 8.02 3.50 0.00 4.21 3.98 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 0.00 0.00 0.00 18 R 7.40 4.53 0.00 1.73 1.84 0.00 3.22 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 19 K 8.39 4.43 0.00 1.83 1.81 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.36 7.81 20 A 7.94 4.32 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.52 4.35 0.00 1.88 1.76 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.50 7.81 22 V 8.71 3.56 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 -0.28 0.00 0.00 0.73 0.00 0.00 23 K 7.97 4.27 0.00 2.09 1.86 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.60 7.81 24 A 7.89 4.20 1.30 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 0.00 0.00 0.00 0.00 0.00 25 T 7.78 4.39 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 26 L 7.61 5.00 0.00 1.65 1.70 0.87 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.25 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.02 4.76 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 2.21 2.29 0.00 29 F 7.70 4.93 0.00 3.16 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 30 D 8.73 4.51 0.00 2.66 2.69 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 31 L 8.13 4.80 0.00 1.51 1.55 0.62 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.04 4.64 0.00 1.84 2.03 0.00 3.27 0.00 0.00 2.25 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 33 D 7.75 4.73 0.00 2.73 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 34 Y 7.80 4.39 0.00 3.11 2.98 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 0.00 0.00 0.00 35 R 7.60 4.36 0.00 1.42 1.69 0.00 2.94 0.00 0.00 2.81 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.50 0.00 36 N 8.56 4.81 0.00 2.91 2.77 0.00 0.00 6.55 7.77 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 37 V 7.09 2.97 2.07 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 1.06 0.00 0.00 0.98 0.00 0.00 38 E 7.45 3.84 0.00 2.15 2.04 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 2.43 2.44 0.00 39 V 8.35 3.89 2.03 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 0.88 0.00 0.00 0.71 0.00 0.00 40 L 7.87 4.23 0.00 1.75 1.77 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.35 4.01 0.00 1.88 1.83 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.62 7.81 42 R 8.03 4.00 0.00 1.87 1.55 0.00 2.94 0.00 0.00 2.95 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 43 F 8.26 4.71 0.00 3.36 3.04 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 44 L 7.73 5.27 0.00 1.78 1.53 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.79 4.43 0.00 3.79 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 46 E 8.76 4.13 0.00 1.98 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 2.32 2.40 0.00 47 T 7.62 4.34 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 48 G 8.52 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 0.00 0.00 0.00 49 K 7.70 4.48 0.00 1.75 1.75 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.49 7.81 50 I 8.18 4.50 1.89 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 1.35 0.48 0.94 0.00 0.00 51 L 8.32 4.35 0.00 1.61 1.64 0.97 1.43 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 52 P 0.00 4.60 0.00 2.20 1.98 0.00 3.65 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 2.12 2.12 0.00 53 R 8.63 4.04 0.00 1.86 2.04 0.00 3.60 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.61 0.00 54 R 8.01 4.20 0.00 1.81 2.00 0.00 3.16 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 55 R 8.52 4.47 0.00 1.93 1.88 0.00 3.12 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 56 T 8.26 4.02 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 57 G 7.57 4.71 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 0.00 0.00 0.00 58 L 7.35 4.98 0.00 1.86 1.51 0.93 1.16 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 59 S 8.39 4.69 0.00 3.77 3.98 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 0.00 0.00 0.00 60 G 8.79 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 61 K 7.78 4.10 0.00 1.80 1.77 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.45 7.81 62 E 8.04 3.92 0.00 2.11 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 2.36 2.36 0.00 63 Q 9.28 3.86 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 64 R 7.57 3.88 0.00 2.15 2.08 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 65 I 7.55 3.72 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.89 0.87 0.00 0.00 66 L 8.83 3.80 0.00 1.68 1.55 0.61 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.43 3.53 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 68 K 7.86 3.81 0.00 1.80 2.02 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.54 7.81 69 T 10.31 4.13 4.47 0.00 0.00 0.00 0.00 0.00 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 70 I 7.74 3.68 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.91 0.84 0.00 0.00 71 K 7.86 3.84 0.00 1.71 1.87 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.72 7.81 72 R 8.45 4.01 0.00 2.04 1.96 0.00 3.26 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 73 A 8.73 3.97 1.30 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 0.00 0.00 0.00 0.00 0.00 74 R 8.01 4.15 0.00 1.69 0.75 0.00 2.21 0.00 0.00 2.84 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.50 0.00 75 I 7.47 3.94 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.71 0.96 0.00 0.00 76 L 7.95 4.17 0.00 1.66 1.79 1.08 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 77 G 9.06 3.77 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 0.00 0.00 0.00 78 L 7.84 4.44 0.00 1.62 1.71 0.93 0.96 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 79 L 7.37 4.74 0.00 1.63 1.40 0.91 0.97 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 80 P 0.00 4.51 0.00 2.19 2.12 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.20 0.00 81 F 9.11 4.20 0.00 3.20 3.10 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 0.00 0.00 0.00 0.00 82 T 7.75 4.63 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 83 E 8.82 4.54 0.00 1.97 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 2.27 2.33 0.00 84 K 8.11 4.50 0.00 1.74 1.72 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.41 7.81 85 L 8.32 4.19 0.00 1.59 1.59 0.92 0.91 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 86 V 8.07 4.13 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 0.98 0.00 0.00 87 R 8.34 4.44 0.00 1.89 2.34 0.00 3.40 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 88 K 7.77 4.13 0.00 1.79 1.69 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.36 7.81