NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 C 4.2562 8.2027 120.8170 59.2784 33.8348 175.4555 4 R 3.5543 7.8686 119.4105 59.0339 29.6066 175.1062 5 E 3.9498 8.8392 119.2076 59.4346 29.9856 178.9210 6 R 3.9060 7.8206 117.5852 59.2123 30.0640 179.0262 7 I 3.8936 7.9286 119.6241 64.5978 37.2054 178.3379 8 E 4.0105 8.4975 119.6968 59.4344 29.2369 179.6100 9 K 4.0248 8.3551 118.6574 59.6825 32.1229 179.1843 10 D 4.4372 8.2648 119.0408 57.0441 40.5849 178.8199 11 L 4.0614 8.3848 120.1017 57.9011 41.6831 179.3690 12 E 3.9913 8.3267 118.4800 59.3439 29.3239 179.1676 13 L 4.0052 8.2078 120.5021 57.9722 42.0484 178.7127 14 L 3.8548 8.1068 120.3111 58.1948 42.0266 178.8211 15 E 3.9386 7.9911 118.2687 59.2444 29.4288 179.2448 16 K 3.9272 8.0910 119.5484 59.7611 32.0846 178.6502 17 N 4.4008 8.2222 115.5908 56.1408 38.7633 177.1240 18 L 4.1287 8.1953 120.7303 58.1003 41.7656 179.4680 19 M 4.0621 8.1092 118.6234 58.3470 31.6838 178.3254 20 E 3.9861 8.1010 118.3719 58.9230 29.9224 177.8189 21 M 4.3810 7.7235 116.6329 55.4445 32.5055 177.8451 22 K 3.9871 7.7993 118.4900 58.5405 32.2727 177.5446 23 S 4.4416 7.8441 111.6214 58.5194 63.8036 173.9515 24 I 4.0486 7.6138 123.8605 60.3621 37.5127 175.5901 25 K 4.1886 8.5988 125.5186 56.0159 32.4720 176.3235 26 L 4.9265 8.1547 123.8612 52.5473 44.2776 177.0749 27 S 4.4147 8.9435 117.4928 58.0710 65.0922 175.2082 28 D 4.3777 8.6135 121.9710 57.8922 40.5089 179.0172 29 D 4.3948 8.0233 118.7225 57.3264 40.9057 178.4986 30 E 3.9896 8.2941 119.2060 59.4468 29.3962 179.1778 31 E 3.9739 8.6496 118.8476 59.3714 29.4143 179.3205 32 A 4.0313 8.0972 120.8949 54.9288 18.3946 179.8795 33 V 3.5023 7.7182 116.9227 66.0987 31.5492 178.4321 34 V 3.5589 7.8718 117.9760 65.9848 31.3131 177.5033 35 E 3.9083 8.5420 119.4513 59.2873 29.4501 178.6805 36 R 3.9835 8.3107 118.5983 59.4739 30.0771 178.2564 37 A 4.0834 8.1854 120.4826 55.3180 18.3108 179.6209 38 L 3.9785 8.2595 117.6307 57.9279 41.6651 179.5001 39 N 4.2795 8.4763 116.6272 56.7006 38.4367 177.1514 40 Y 4.0287 8.3833 118.0156 60.6081 37.9051 178.3190 41 R 3.9748 8.5193 120.3560 59.6211 30.2616 178.2264 42 D 4.4067 8.3450 118.7915 57.6320 40.7245 178.6430 43 D 4.3839 8.2989 119.3379 57.2493 40.7025 178.6001 44 S 4.3102 8.5633 114.1676 61.5765 62.3388 176.5178 45 V 3.6272 7.9210 120.7944 66.0464 31.2561 177.0843 46 Y 4.0415 8.0965 119.2682 61.2665 38.5933 178.0567 47 Y 4.0283 8.3243 117.6250 60.6348 37.9398 178.0094 48 L 4.0730 8.4196 121.7794 58.5155 42.0301 179.0985 49 E 4.0177 8.1236 116.9380 59.0464 29.4705 178.7772 50 K 4.1512 7.5246 115.9234 56.6529 32.2637 177.9810 51 G 3.8099 7.9307 107.6929 46.1211 0.0000 174.9288 52 D 4.6429 7.8779 121.3280 53.1547 38.9717 176.2430 53 H 4.4202 8.1123 121.5355 58.1708 29.1976 176.9403 54 I 3.7880 7.7358 121.2442 64.8340 37.0962 178.4493 55 T 3.7592 7.8895 116.0711 66.4637 68.1981 176.6478 56 S 4.2896 8.2245 115.0852 61.5077 62.4296 176.0632 57 F 4.5006 8.7911 123.7567 61.3591 39.1878 177.1370 58 G 3.6242 8.3124 105.3668 48.0804 0.0000 175.3989 59 C 4.3616 8.2764 118.9697 62.7778 28.2363 176.1028 60 I 3.9085 7.8911 120.4097 64.0775 37.5820 178.0098 61 T 3.8176 7.9452 111.0143 64.6073 68.5789 176.0222 62 Y 3.9440 8.0954 122.1742 60.4513 38.8067 177.9219 63 A 3.8939 8.1368 121.5815 55.5813 18.4628 179.2899 64 H 4.1071 8.4261 114.7829 58.8055 28.7469 178.2343 65 G 3.4996 8.0794 107.4948 47.6625 0.0000 175.5559 66 L 3.7623 7.4631 121.6245 57.4990 41.6147 179.5749 67 L 4.0019 7.8039 120.0379 58.2047 41.9557 178.6697 68 D 4.3327 8.5633 119.3495 57.0905 40.5845 178.5943 69 S 4.0450 7.9623 113.8605 61.4617 62.3623 176.3111 70 L 4.0143 7.5004 120.6523 57.8831 41.2725 179.6937 71 R 3.9547 8.2192 118.1440 59.4803 29.9542 179.1222 72 M 4.2339 8.3237 118.7097 58.4590 31.7986 178.8669 73 L 4.0608 8.0280 118.1212 57.4741 41.8201 178.2441 74 H 4.5642 8.1765 113.6414 54.6751 28.9622 175.2129 75 R 3.9257 7.7413 118.6091 57.3545 28.0652 177.9012 76 I 3.9672 8.0721 121.3511 63.2213 37.4110 176.4183 77 I 4.7422 7.4789 111.1271 58.7139 40.6085 174.9616 78 E 4.2366 8.4725 117.7320 56.5861 29.6155 175.4848 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 3 C 8.20 4.26 0.00 2.87 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 4 R 7.87 3.55 0.00 1.84 1.84 0.00 3.23 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 5 E 8.84 3.95 0.00 2.01 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 2.39 2.38 0.00 6 R 7.82 3.91 0.00 1.72 1.81 0.00 2.96 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 7 I 7.93 3.89 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.89 1.02 0.00 0.00 8 E 8.50 4.01 0.00 2.06 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 0.00 2.35 2.49 0.00 9 K 8.36 4.02 0.00 1.99 1.89 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.55 7.81 10 D 8.26 4.44 0.00 3.00 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 11 L 8.38 4.06 0.00 1.90 1.76 0.98 0.98 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 12 E 8.33 3.99 0.00 2.21 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 0.00 2.35 2.47 0.00 13 L 8.21 4.01 0.00 1.89 1.90 0.95 0.37 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 14 L 8.11 3.85 0.00 1.84 1.75 0.60 0.83 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 15 E 7.99 3.94 0.00 2.17 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 2.34 2.48 0.00 16 K 8.09 3.93 0.00 1.95 1.98 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 17 N 8.22 4.40 0.00 2.91 2.87 0.00 0.00 7.13 8.67 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 18 L 8.20 4.13 0.00 1.87 1.71 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 M 8.11 4.06 0.00 2.04 2.24 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 2.85 0.00 20 E 8.10 3.99 0.00 2.08 2.24 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 2.32 2.36 0.00 21 M 7.72 4.38 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 22 K 7.80 3.99 0.00 1.73 1.87 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.57 7.81 23 S 7.84 4.44 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 24 I 7.61 4.05 1.91 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 1.26 0.52 0.71 0.00 0.00 25 K 8.60 4.19 0.00 1.75 1.76 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.40 7.81 26 L 8.15 4.93 0.00 1.59 1.55 0.90 0.91 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 27 S 8.94 4.41 0.00 4.04 4.01 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 0.00 0.00 0.00 28 D 8.61 4.38 0.00 2.71 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 29 D 8.02 4.39 0.00 2.69 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 30 E 8.29 3.99 0.00 2.27 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 2.35 2.37 0.00 31 E 8.65 3.97 0.00 2.15 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 2.52 0.00 32 A 8.10 4.03 1.41 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 33 V 7.72 3.50 2.24 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 0.94 0.00 0.00 0.94 0.00 0.00 34 V 7.87 3.56 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 1.01 0.00 0.00 0.93 0.00 0.00 35 E 8.54 3.91 0.00 2.14 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 0.00 2.32 2.33 0.00 36 R 8.31 3.98 0.00 2.12 2.18 0.00 3.28 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 37 A 8.19 4.08 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 38 L 8.26 3.98 0.00 1.88 1.75 0.93 0.91 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 39 N 8.48 4.28 0.00 2.90 2.70 0.00 0.00 7.03 7.72 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 40 Y 8.38 4.03 0.00 3.27 3.39 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 41 R 8.52 3.97 0.00 1.97 2.16 0.00 3.31 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 42 D 8.35 4.41 0.00 2.87 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 43 D 8.30 4.38 0.00 2.90 2.95 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 0.00 0.00 0.00 44 S 8.56 4.31 0.00 4.16 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 45 V 7.92 3.63 2.29 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 1.05 0.00 0.00 1.03 0.00 0.00 46 Y 8.10 4.04 0.00 2.96 2.91 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 47 Y 8.32 4.03 0.00 3.16 3.20 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 48 L 8.42 4.07 0.00 1.91 1.97 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.12 4.02 0.00 1.91 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 2.35 2.54 0.00 50 K 7.52 4.15 0.00 1.65 1.71 0.00 1.03 0.00 0.00 0.61 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 0.96 7.81 51 G 7.93 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.88 4.64 0.00 2.89 2.76 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 53 H 8.11 4.42 0.00 3.22 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.74 3.79 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.13 0.94 0.00 0.00 55 T 7.89 3.76 3.81 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 0.00 0.00 0.25 0.00 0.00 56 S 8.22 4.29 0.00 4.13 4.21 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 0.00 0.00 0.00 0.00 57 F 8.79 4.50 0.00 3.18 3.22 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 0.00 58 G 8.31 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.28 4.36 0.00 3.37 3.49 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 0.00 60 I 7.89 3.91 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.36 1.09 0.00 0.00 61 T 7.95 3.82 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 0.41 0.00 0.00 62 Y 8.10 3.94 0.00 3.01 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 63 A 8.14 3.89 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.43 4.11 0.00 3.30 3.32 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.08 3.50 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 0.00 0.00 0.00 0.00 66 L 7.46 3.76 0.00 1.69 1.58 0.66 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.80 4.00 0.00 1.70 1.59 0.89 1.18 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 68 D 8.56 4.33 0.00 2.72 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 69 S 7.96 4.05 0.00 3.86 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 70 L 7.50 4.01 0.00 1.99 1.72 0.95 0.92 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 71 R 8.22 3.95 0.00 1.99 1.98 0.00 3.12 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 72 M 8.32 4.23 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.57 0.00 73 L 8.03 4.06 0.00 1.59 1.67 0.90 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 74 H 8.18 4.56 0.00 3.24 3.33 0.00 5.81 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.74 3.93 0.00 1.98 2.01 0.00 3.15 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 76 I 8.07 3.97 2.00 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 1.36 0.49 0.93 0.00 0.00 77 I 7.48 4.74 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 0.66 0.91 0.00 0.00 78 E 8.47 4.24 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00