NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0146 8.0501 120.3093 61.2118 32.2417 176.7482 3 A 4.6286 8.5301 122.0204 49.9402 22.6868 173.1631 4 T 4.3167 8.7849 108.8312 61.8252 75.7008 172.6081 5 R 4.5623 7.4278 131.0058 57.3653 31.3950 175.3408 6 D 4.5361 8.0800 117.7758 56.2878 41.2360 177.4598 7 N 4.4372 8.0862 116.1262 54.4156 38.0268 174.2664 8 C 4.7608 7.5302 116.7235 57.2673 34.0724 172.5263 9 C 4.8770 8.4547 112.7219 57.5171 30.2158 173.7102 10 I 4.0855 7.5895 111.4933 63.6518 38.8797 177.0473 11 L 2.9992 7.2796 118.7555 53.7880 41.6019 174.0409 12 D 4.6424 9.1949 128.4256 53.0538 43.4261 175.4054 13 E 4.1910 9.1559 127.7420 59.5419 29.7284 179.6398 14 R 4.0348 8.0048 116.7471 58.7034 30.1761 177.2823 15 F 4.3969 8.4047 114.8572 56.3963 39.0449 177.1402 16 G 3.9349 8.4689 112.5618 44.1674 0.0000 173.6766 17 S 4.3342 8.5341 112.4454 59.0743 62.6478 173.2306 18 Y 4.6374 8.4137 121.9144 56.9504 39.8819 174.5830 19 C 4.7893 8.1082 117.8821 57.8178 32.7011 173.4587 20 P 4.6531 0.0000 0.0000 62.8485 30.9284 176.1173 21 T 4.6786 8.1600 108.3629 60.1449 72.4970 174.4411 22 T 3.8701 8.7320 114.7626 65.3332 68.3607 175.9927 23 C 4.5753 8.1948 119.0721 62.8690 28.1906 175.7527 24 G 3.8741 8.3621 107.3673 48.1927 0.0000 175.6347 25 I 3.7279 7.9510 121.5226 64.0713 37.2579 177.9552 26 A 3.9874 8.8928 122.7865 55.7422 18.2057 179.2746 27 D 4.3733 8.2769 116.8427 57.7546 40.9926 179.1210 28 F 4.2273 8.0714 121.8352 60.9029 39.0907 176.0312 29 L 4.1682 8.7204 121.5260 56.7175 41.5688 178.5450 30 S 4.2170 8.3373 117.4317 62.8564 63.3862 176.5558 31 T 3.7091 8.3662 111.7777 63.6878 67.8515 175.9877 32 Y 3.8984 7.6541 120.8139 59.5175 39.6042 178.1748 33 Q 4.1242 9.8900 120.7389 59.8339 29.1118 179.0107 34 T 3.9239 8.2585 118.7711 67.2571 68.3947 177.1117 35 K 3.8155 8.0660 125.1168 60.8257 31.4079 179.6270 36 V 3.6819 7.6396 119.2272 64.8975 31.1933 177.2189 37 D 4.3517 8.2579 117.0583 57.9285 41.3942 179.1701 38 K 3.9110 8.4614 119.7929 59.9819 32.1332 177.8288 39 D 4.3454 7.9575 118.8178 57.3529 40.8115 178.1990 40 L 3.9800 8.9567 118.4814 56.7075 41.0455 181.2520 41 Q 4.3620 7.2995 123.9514 61.1706 29.7254 178.8262 42 S 4.1465 8.1161 113.7681 61.3270 62.2625 175.6639 43 L 3.8809 7.9866 122.5517 58.6599 41.9972 178.5321 44 E 4.0252 8.5030 118.4470 59.6493 29.1658 177.2422 45 D 4.5118 8.0989 122.2772 54.5286 40.9346 175.9785 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 V 8.05 4.01 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 0.89 0.00 0.00 0.92 0.00 0.00 3 A 8.53 4.63 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.78 4.32 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 5 R 7.43 4.56 0.00 1.89 1.86 0.00 3.21 0.00 0.00 3.32 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.46 0.00 6 D 8.08 4.54 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.09 4.44 0.00 2.75 2.90 0.00 0.00 5.83 7.68 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 8 C 7.53 4.76 0.00 2.78 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 9 C 8.45 4.88 0.00 3.05 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.59 4.09 1.86 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.58 0.90 0.00 0.00 11 L 7.28 3.00 0.00 1.40 1.83 0.36 1.02 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 12 D 9.19 4.64 0.00 2.79 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 13 E 9.16 4.19 0.00 2.14 2.06 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 2.48 2.39 0.00 14 R 8.00 4.03 0.00 1.93 1.70 0.00 3.04 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 15 F 8.40 4.40 0.00 3.03 2.99 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 16 G 8.47 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.53 4.33 0.00 3.90 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.41 4.64 0.00 2.90 2.86 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 0.00 0.00 0.00 19 C 8.11 4.79 0.00 2.89 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 20 P 0.00 4.65 0.00 2.00 2.02 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 21 T 8.16 4.68 4.24 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 1.22 0.00 0.00 22 T 8.73 3.87 4.24 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 1.20 0.00 0.00 23 C 8.19 4.58 0.00 3.00 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 24 G 8.36 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 0.00 0.00 0.00 25 I 7.95 3.73 2.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.92 0.00 0.00 26 A 8.89 3.99 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 27 D 8.28 4.37 0.00 2.99 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 28 F 8.07 4.23 0.00 3.29 3.12 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 29 L 8.72 4.17 0.00 1.80 1.82 0.96 0.96 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 30 S 8.34 4.22 0.00 3.91 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 31 T 8.37 3.71 4.13 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 1.21 0.00 0.00 32 Y 7.65 3.90 0.00 2.74 2.99 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 33 Q 9.89 4.12 0.00 2.24 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 34 T 8.26 3.92 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 1.19 0.00 0.00 35 K 8.07 3.82 0.00 1.75 1.86 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.11 7.81 36 V 7.64 3.68 2.17 0.00 0.00 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 0.94 0.00 0.00 37 D 8.26 4.35 0.00 2.78 2.83 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 38 K 8.46 3.91 0.00 1.77 2.02 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.51 7.81 39 D 7.96 4.35 0.00 2.72 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 40 L 8.96 3.98 0.00 1.83 1.98 0.94 1.24 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 41 Q 7.30 4.36 0.00 2.36 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.95 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 42 S 8.12 4.15 0.00 3.89 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 43 L 7.99 3.88 0.00 1.79 1.83 0.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.50 4.03 0.00 2.23 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 2.34 2.39 0.00 45 D 8.10 4.51 0.00 2.80 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00