NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4702 8.1776 115.4126 58.2289 64.6247 174.6376 2 E 3.9872 7.8074 120.3062 58.8515 29.9339 176.4132 3 A 4.2408 8.6809 122.3912 54.3119 19.1011 180.5294 4 L 4.0246 7.8141 116.9875 57.6555 42.0347 179.1885 5 K 4.7276 7.7041 119.0056 59.4334 32.5385 179.4363 6 I 3.7482 7.4344 120.1038 64.1143 36.7818 178.2043 7 L 4.0797 7.4690 118.2028 57.6833 41.7726 179.0011 8 N 4.7180 8.0633 116.8230 54.6983 38.7583 173.9568 9 N 4.6277 7.8768 118.8245 51.5008 37.9457 175.2220 10 I 3.6800 8.1368 124.0335 63.9426 38.1501 177.3174 11 R 3.9222 8.0243 118.4852 59.5739 29.7526 178.9820 12 T 3.8326 7.7812 114.7991 66.6887 68.5701 176.4562 13 L 3.9840 7.7066 122.1745 57.8414 41.7086 178.8264 14 R 3.8525 8.5839 119.0817 59.5194 29.7908 178.4161 15 A 4.0164 7.6158 118.6719 55.2294 18.5659 179.3571 16 Q 4.0686 7.9281 116.3813 58.9239 28.7826 178.6568 17 A 4.0672 8.4859 122.3217 54.9749 18.1658 179.7670 18 R 4.0173 7.6342 115.5227 58.3579 30.0529 177.1199 19 E 4.5308 7.6010 117.5634 55.7478 29.6609 174.6900 20 C 4.9298 7.7658 113.9205 57.2987 32.1179 174.3699 21 T 4.3303 8.0526 112.0221 60.9570 71.0068 175.5595 22 L 3.9616 8.3310 122.9177 58.0865 41.9831 178.6422 23 E 3.9739 8.1884 117.2691 60.0029 29.3943 179.2920 24 T 3.9347 7.4793 116.6668 66.1601 68.4575 176.8185 25 L 4.0674 7.6677 121.2260 57.5577 41.5646 179.3989 26 E 3.9660 8.2375 118.8126 59.3982 29.4164 179.1442 27 E 3.9700 7.9876 118.4710 59.6991 29.6347 179.2835 28 M 4.0640 8.0273 118.7335 58.3764 32.0264 178.6216 29 L 3.9873 7.9683 120.4923 57.8382 42.1935 178.6533 30 E 3.9152 8.0748 119.4022 59.2208 29.5823 178.9020 31 K 3.9344 8.0072 118.5090 59.4721 32.1372 179.0932 32 L 3.9469 7.8481 120.2349 58.1445 41.9106 178.8472 33 E 3.9668 8.2987 118.6021 59.4553 29.3347 179.5523 34 V 3.5733 7.9968 118.3643 65.8488 31.4189 178.2950 35 V 3.5807 8.0317 118.3120 65.9728 31.3980 178.2741 36 V 3.6260 7.9728 118.0754 66.0122 31.3636 177.8438 37 N 4.4102 8.4872 116.5431 56.1339 37.9200 177.2770 38 E 3.9816 8.5611 120.6191 59.5575 29.5513 179.6223 39 R 4.0725 7.8786 118.0110 59.0152 30.0079 179.2422 40 R 3.9284 8.0137 118.2128 59.1385 30.0289 178.6069 41 E 3.9105 8.2261 119.2287 59.2505 29.6177 178.5514 42 E 3.9656 7.9022 118.1801 59.2588 29.4660 178.6767 43 E 3.9878 8.1531 118.0131 59.3891 29.5993 178.9407 44 S 4.2270 8.2926 112.5289 61.0489 62.4917 175.7409 45 A 4.1173 7.9778 122.8968 54.7141 18.2267 177.6575 46 A 4.2448 7.8504 122.8618 52.5127 18.6987 177.1415 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 S 8.18 4.47 0.00 4.02 4.12 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 0.00 0.00 0.00 2 E 7.81 3.99 0.00 2.26 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 2.33 2.38 0.00 3 A 8.68 4.24 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 4 L 7.81 4.02 0.00 1.61 1.74 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.70 4.73 0.00 2.02 2.14 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.33 7.81 6 I 7.43 3.75 2.09 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 1.58 0.80 0.91 0.00 0.00 7 L 7.47 4.08 0.00 1.85 1.74 0.95 1.02 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 8 N 8.06 4.72 0.00 2.96 2.86 0.00 0.00 6.78 6.82 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 9 N 7.88 4.63 0.00 2.84 2.77 0.00 0.00 6.54 7.48 0.00 0.00 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 I 8.14 3.68 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 1.64 1.22 0.91 0.00 0.00 11 R 8.02 3.92 0.00 1.89 1.97 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 12 T 7.78 3.83 4.45 0.00 0.00 0.00 0.00 0.00 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 13 L 7.71 3.98 0.00 1.70 1.66 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.58 3.85 0.00 2.05 2.12 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 A 7.62 4.02 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 16 Q 7.93 4.07 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 17 A 8.49 4.07 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 18 R 7.63 4.02 0.00 2.00 2.01 0.00 3.15 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 19 E 7.60 4.53 0.00 1.87 1.92 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 2.24 2.30 0.00 20 C 7.77 4.93 0.00 2.96 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 21 T 8.05 4.33 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 1.21 0.00 0.00 22 L 8.33 3.96 0.00 1.78 1.70 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.19 3.97 0.00 2.23 2.20 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 2.36 2.41 0.00 24 T 7.48 3.93 4.37 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 1.21 0.00 0.00 25 L 7.67 4.07 0.00 1.85 1.71 0.92 0.86 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 26 E 8.24 3.97 0.00 2.15 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 2.57 2.49 0.00 27 E 7.99 3.97 0.00 2.11 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 2.50 0.00 28 M 8.03 4.06 0.00 2.08 2.36 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 2.72 2.55 0.00 29 L 7.97 3.99 0.00 1.95 1.73 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.07 3.92 0.00 2.16 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 2.30 2.50 0.00 31 K 8.01 3.93 0.00 2.03 1.84 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.49 7.81 32 L 7.85 3.95 0.00 1.92 1.66 0.92 0.86 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 33 E 8.30 3.97 0.00 2.34 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 2.32 0.00 34 V 8.00 3.57 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 1.07 0.00 0.00 1.04 0.00 0.00 35 V 8.03 3.58 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 1.00 0.00 0.00 36 V 7.97 3.63 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 0.98 0.00 0.00 0.94 0.00 0.00 37 N 8.49 4.41 0.00 3.02 2.85 0.00 0.00 7.01 8.13 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 38 E 8.56 3.98 0.00 2.24 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 2.48 0.00 39 R 7.88 4.07 0.00 1.91 1.97 0.00 3.29 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 40 R 8.01 3.93 0.00 2.02 1.98 0.00 3.13 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 1.65 1.78 0.00 41 E 8.23 3.91 0.00 2.02 2.05 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 2.30 2.46 0.00 42 E 7.90 3.97 0.00 2.16 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 0.00 2.30 2.39 0.00 43 E 8.15 3.99 0.00 2.14 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 2.41 2.46 0.00 44 S 8.29 4.23 0.00 4.01 3.89 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 0.00 0.00 0.00 45 A 7.98 4.12 1.39 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 0.00 0.00 46 A 7.85 4.24 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00