NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.1441 0.0000 0.0000 62.5693 33.5298 174.3806 3 M 4.4908 8.0701 120.1273 54.6448 33.1327 174.1224 4 F 5.1831 9.6171 123.8686 56.0328 44.5406 172.2299 5 E 5.2211 9.4934 119.7501 54.2895 32.9884 174.7960 6 A 4.6947 9.1111 128.3555 52.2178 18.8855 178.0974 7 A 4.4250 9.3729 125.2143 53.6481 19.4561 176.7387 8 Y 4.6031 7.4824 110.8149 56.0441 42.2018 174.8083 9 D 4.6458 8.7093 121.4197 54.8002 41.9856 176.4595 10 F 5.2286 9.5011 125.2760 55.6099 40.0919 173.3514 11 P 3.9348 0.0000 0.0000 63.0683 31.6644 178.5653 12 G 3.3988 6.9833 107.3750 44.5035 0.0000 172.5183 13 S 4.4966 9.4391 111.8323 57.8172 63.8439 175.1570 14 G 3.9353 8.2810 109.4740 44.9272 0.0000 173.8449 15 S 4.1311 7.7637 115.1023 57.8407 62.6905 173.3251 16 P 4.4570 0.0000 0.0000 65.0809 31.4932 177.4689 17 S 4.4364 8.0660 115.4840 60.4877 63.2303 173.8048 18 E 4.9615 7.7664 119.1329 55.6759 30.5449 176.5153 19 L 4.6472 8.8162 125.8784 52.7311 42.6557 174.2638 20 P 4.6912 0.0000 0.0000 62.7898 32.1717 175.9785 21 L 5.1647 9.1909 121.9158 53.0956 46.2251 175.5865 22 K 5.0200 9.3240 121.2361 54.1062 34.8463 176.0475 23 K 4.0395 9.5191 125.3460 58.6486 32.3949 176.8216 24 G 4.0648 9.2783 114.9655 45.1765 0.0000 173.6106 25 D 4.4951 8.1040 120.2516 54.7786 42.1276 175.6555 26 V 4.6802 8.3804 122.5346 61.6336 33.5916 174.2843 27 I 5.0597 8.8339 127.3680 59.4791 42.0344 172.9677 28 Y 4.8994 9.1618 130.7146 56.3596 40.1364 174.1237 29 I 4.7688 8.0908 129.0791 60.7134 37.6763 175.9799 30 T 4.4818 8.7373 117.2003 62.3425 70.4944 175.1558 31 R 4.7748 7.5826 120.1038 54.4913 34.9982 173.6536 32 E 5.1348 8.8319 122.6871 54.7526 32.3739 174.3283 33 E 4.8950 9.3325 126.6410 53.9434 32.0943 175.7847 34 P 4.3360 0.0000 0.0000 65.1447 31.5840 178.0850 35 S 4.1258 8.0117 112.0429 59.8158 62.9880 175.1069 36 G 3.8324 8.5105 109.5789 44.5565 0.0000 172.6281 37 W 5.2841 7.8821 118.3092 54.9219 32.3170 175.1192 38 S 5.3456 9.5589 118.5641 56.8067 66.4789 172.6203 39 L 4.1962 8.4959 126.1579 53.6013 43.7939 175.7650 40 G 4.2810 8.3785 112.0997 46.0785 0.0000 171.1243 41 K 5.0441 8.6502 120.1023 54.5491 36.1136 177.0203 42 L 4.5864 8.6889 126.4583 54.7194 42.4938 177.8612 43 L 3.8964 8.6146 122.4587 58.3481 41.7463 178.4458 44 D 4.3563 8.1224 116.1513 57.4874 41.1694 178.3382 45 G 4.0916 8.1933 104.6436 46.4438 0.0000 173.7742 46 S 4.1984 7.9591 112.8726 59.0753 63.3111 174.8481 47 K 4.1634 8.5280 117.4212 55.4699 33.3228 176.3798 48 E 4.6793 8.3885 121.8959 55.5597 31.7603 175.5102 49 G 4.0131 8.2441 106.8365 46.3320 0.0000 171.7072 50 W 5.4714 8.8878 119.7154 55.5345 31.3559 176.4694 51 V 4.7838 9.3158 115.6449 58.7841 36.4139 173.2944 52 P 3.8035 0.0000 0.0000 62.3580 31.7162 178.0128 53 T 3.6229 8.5221 120.7333 66.4421 68.5875 176.3241 54 A 3.8916 7.6229 122.9998 55.1349 18.4979 177.5144 55 Y 4.7912 7.7445 111.6574 58.8040 38.4185 174.6676 56 M 4.8773 7.7576 121.4935 54.3545 32.8187 175.8768 57 K 4.8778 8.9951 122.1015 54.0356 36.8118 173.8680 58 P 4.6157 0.0000 0.0000 63.4465 32.0296 176.0771 59 H 4.9285 8.6628 121.1104 55.6102 29.8606 174.5721 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 2 P 0.00 4.14 0.00 1.46 2.02 0.00 3.41 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 3 M 8.07 4.49 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.73 0.00 4 F 9.62 5.18 0.00 2.95 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 5 E 9.49 5.22 0.00 2.09 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 2.24 2.46 0.00 6 A 9.11 4.69 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 9.37 4.42 1.28 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 0.00 0.00 0.00 8 Y 7.48 4.60 0.00 1.43 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 0.00 0.00 0.00 0.00 9 D 8.71 4.65 0.00 2.62 2.67 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 0.00 10 F 9.50 5.23 0.00 3.38 3.13 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 0.00 0.00 0.00 0.00 11 P 0.00 3.93 0.00 2.14 2.13 0.00 4.04 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 1.99 1.98 0.00 12 G 6.98 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 0.00 0.00 0.00 13 S 9.44 4.50 0.00 3.93 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 14 G 8.28 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 15 S 7.76 4.13 0.00 3.84 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.46 0.00 2.23 2.17 0.00 3.79 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 1.98 1.98 0.00 17 S 8.07 4.44 0.00 3.86 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 0.00 18 E 7.77 4.96 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.24 0.00 19 L 8.82 4.65 0.00 1.72 1.77 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.69 0.00 1.99 1.91 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 21 L 9.19 5.16 0.00 1.80 1.66 1.10 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 22 K 9.32 5.02 0.00 1.67 1.72 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.53 7.81 23 K 9.52 4.04 0.00 1.68 1.72 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.48 7.81 24 G 9.28 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 25 D 8.10 4.50 0.00 2.77 2.67 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 0.00 26 V 8.38 4.68 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 0.95 0.00 0.00 0.77 0.00 0.00 27 I 8.83 5.06 1.96 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 1.19 1.47 1.08 0.00 0.00 28 Y 9.16 4.90 0.00 3.11 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 29 I 8.09 4.77 2.11 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 1.48 0.98 0.97 0.00 0.00 30 T 8.74 4.48 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 1.40 0.00 0.00 31 R 7.58 4.77 0.00 1.62 1.88 0.00 3.10 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 32 E 8.83 5.13 0.00 1.95 1.83 0.00 0.00 0.00 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 2.31 0.00 33 E 9.33 4.90 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.54 0.00 34 P 0.00 4.34 0.00 2.04 2.12 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 35 S 8.01 4.13 0.00 4.11 4.02 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 0.00 0.00 0.00 36 G 8.51 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.88 5.28 0.00 3.23 3.29 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 0.00 0.00 0.00 0.00 38 S 9.56 5.35 0.00 3.69 3.68 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 39 L 8.50 4.20 0.00 0.27 0.76 0.04 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.38 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 0.00 0.00 0.00 0.00 41 K 8.65 5.04 0.00 1.84 1.64 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.54 7.81 42 L 8.69 4.59 0.00 1.68 1.61 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.61 3.90 0.00 1.64 1.77 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.12 4.36 0.00 2.62 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.19 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.96 4.20 0.00 3.99 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 47 K 8.53 4.16 0.00 1.80 1.81 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.39 7.81 48 E 8.39 4.68 0.00 2.03 1.91 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 2.19 2.23 0.00 49 G 8.24 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 0.00 0.00 0.00 50 W 8.89 5.47 0.00 3.11 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 9.32 4.78 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 0.98 0.00 0.00 0.98 0.00 0.00 52 P 0.00 3.80 0.00 0.82 0.84 0.00 2.71 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.73 0.00 53 T 8.52 3.62 4.10 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 1.06 0.00 0.00 54 A 7.62 3.89 1.02 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 0.00 0.00 0.00 0.00 0.00 55 Y 7.74 4.79 0.00 3.06 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 56 M 7.76 4.88 0.00 0.73 1.50 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.55 0.00 57 K 9.00 4.88 0.00 1.84 1.91 0.00 1.31 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.46 7.81 58 P 0.00 4.62 0.00 2.00 2.08 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 59 H 8.66 4.93 0.00 3.11 3.20 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00