NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4632 8.3049 120.3268 55.0527 33.2826 174.2602 2 K 3.9686 8.4965 120.0109 56.3579 33.2378 173.2416 3 R 3.8239 8.7666 124.5135 57.5593 30.0555 175.6804 4 T 4.3437 8.4088 111.0871 62.8205 71.1325 171.5118 5 Y 5.0081 7.8055 121.1803 56.9873 47.1710 171.4225 6 Q 3.5138 7.9359 125.8494 53.8340 29.0801 172.8657 7 P 4.0649 0.0000 0.0000 63.7365 30.5975 172.7778 8 N 3.9875 8.5740 119.7844 54.1574 36.4304 174.1693 9 N 4.9012 8.0300 123.7357 51.1304 36.6366 175.1890 10 R 4.0701 7.8452 122.4803 59.5768 31.5369 178.0086 11 K 4.6273 7.6139 116.9741 54.1599 31.8139 176.5428 12 R 4.7234 7.4665 110.1176 55.5204 32.8233 174.4695 13 A 4.7739 8.2318 119.2687 52.7990 24.1215 177.3921 14 K 4.4048 8.7871 119.9854 54.6965 33.4481 175.7560 15 T 4.5229 7.4126 112.4582 62.4778 76.2778 174.1066 16 H 5.2910 7.7787 121.3880 53.7232 29.9807 174.1153 17 G 4.1132 7.6184 107.1963 43.9696 0.0000 172.6584 18 F 3.9063 8.0508 123.9746 57.1696 39.3084 176.8687 19 R 4.4364 8.0672 124.2776 54.4275 29.6272 176.8612 20 A 4.7814 7.4840 124.5679 50.8404 20.3545 177.4689 21 R 4.6082 7.6251 114.2062 56.4554 33.8037 176.0900 22 M 4.3072 8.0338 119.8565 56.9935 33.1911 178.1901 23 K 3.9487 8.1422 117.0684 58.8943 32.5557 176.8042 24 T 4.5170 7.2313 115.4990 60.3608 69.0345 174.0668 25 K 3.8704 8.4902 125.4616 59.7109 32.4360 178.4158 26 S 4.4620 8.0385 112.0518 58.8185 62.7885 175.3908 27 G 4.0635 8.3274 108.2705 44.5427 0.0000 175.7056 28 R 3.9243 7.8244 121.6017 59.4157 29.9156 178.1015 29 N 4.4256 8.0423 115.2014 55.6720 37.6710 176.8360 30 I 3.9161 7.3892 122.3682 63.8968 36.9649 177.9437 31 L 4.0757 8.0600 120.8781 57.3976 41.3672 177.5927 32 A 4.6179 8.0610 119.9947 51.9667 18.7858 177.5044 33 R 4.3068 7.0404 118.5476 57.1209 30.7288 176.6105 34 R 4.7969 7.2207 109.0461 54.7762 31.6198 172.1293 35 R 4.3097 7.7908 126.6183 57.1103 35.9380 174.7124 36 A 4.6036 7.6055 114.5269 51.4414 19.3928 177.0182 37 K 4.2045 7.6296 120.0814 56.9959 32.9633 176.4141 38 G 3.9445 8.5672 113.3396 44.2895 0.0000 171.6373 39 R 4.2632 8.0558 121.9731 55.6733 30.2525 173.6020 40 H 4.0273 8.8564 127.9853 56.3756 31.8597 176.5815 41 Q 4.6570 7.8240 126.1392 55.5960 27.7165 179.4858 42 L 4.7720 8.5329 129.1339 55.3261 44.9713 176.0198 43 T 4.6801 8.5162 116.4702 63.9530 70.3958 174.4804 44 V 4.1077 7.9510 120.0797 62.7724 33.4582 175.4250 45 S 4.7321 7.7631 112.2242 58.9998 62.1727 172.9500 46 D 4.7416 8.1315 123.7373 53.8533 40.7004 174.4185 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 8.30 4.46 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 K 8.50 3.97 0.00 1.81 1.75 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.55 7.81 3 R 8.77 3.82 0.00 1.77 1.74 0.00 3.34 0.00 0.00 3.17 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 4 T 8.41 4.34 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 1.25 0.00 0.00 5 Y 7.81 5.01 0.00 2.73 2.80 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 0.00 0.00 0.00 6 Q 7.94 3.51 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 7 P 0.00 4.06 0.00 2.07 2.05 0.00 3.77 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 8 N 8.57 3.99 0.00 2.80 2.81 0.00 0.00 6.70 7.79 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 9 N 8.03 4.90 0.00 2.82 2.82 0.00 0.00 6.34 7.66 0.00 0.00 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 R 7.85 4.07 0.00 1.82 2.03 0.00 3.35 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 11 K 7.61 4.63 0.00 1.77 1.82 0.00 1.87 0.00 0.00 2.30 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.34 7.81 12 R 7.47 4.72 0.00 1.82 1.74 0.00 3.30 0.00 0.00 3.29 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 13 A 8.23 4.77 1.24 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 0.00 0.00 0.00 14 K 8.79 4.40 0.00 1.75 1.80 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 15 T 7.41 4.52 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 1.22 0.00 0.00 16 H 7.78 5.29 0.00 3.11 3.12 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.62 4.11 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 0.00 0.00 0.00 18 F 8.05 3.91 0.00 3.20 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.07 4.44 0.00 1.82 1.91 0.00 3.46 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 20 A 7.48 4.78 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 4.61 0.00 1.78 1.99 0.00 3.37 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 22 M 8.03 4.31 0.00 2.05 2.05 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 2.60 2.55 0.00 23 K 8.14 3.95 0.00 1.76 1.87 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.54 7.81 24 T 7.23 4.52 4.23 0.00 0.00 0.00 0.00 0.00 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 25 K 8.49 3.87 0.00 1.78 1.90 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.20 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.45 7.81 26 S 8.04 4.46 0.00 3.85 3.87 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 27 G 8.33 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.82 3.92 0.00 2.11 2.20 0.00 3.16 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 29 N 8.04 4.43 0.00 2.90 2.94 0.00 0.00 6.05 7.81 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 30 I 7.39 3.92 1.98 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 1.56 1.63 0.90 0.00 0.00 31 L 8.06 4.08 0.00 1.79 1.91 0.98 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.06 4.62 1.38 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 0.00 0.00 0.00 0.00 0.00 33 R 7.04 4.31 0.00 1.89 2.01 0.00 3.37 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 34 R 7.22 4.80 0.00 1.75 1.80 0.00 3.02 0.00 0.00 3.76 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.40 0.00 35 R 7.79 4.31 0.00 1.77 1.86 0.00 3.44 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 36 A 7.61 4.60 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 37 K 7.63 4.20 0.00 1.94 1.56 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.37 7.81 38 G 8.57 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.06 4.26 0.00 1.84 1.81 0.00 3.37 0.00 0.00 3.16 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 40 H 8.86 4.03 0.00 3.28 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.82 4.66 0.00 2.04 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.48 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 42 L 8.53 4.77 0.00 1.65 1.63 1.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.52 4.68 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 1.19 0.00 0.00 44 V 7.95 4.11 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 -0.04 0.00 0.00 0.87 0.00 0.00 45 S 7.76 4.73 0.00 4.29 3.87 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 46 D 8.13 4.74 0.00 2.90 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