NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0553 8.3549 109.7437 45.4701 0.0000 176.3297 2 S 4.4192 8.0441 121.2370 58.3045 62.2129 173.1042 3 A 4.5243 8.6834 130.2197 53.8035 19.9561 175.7860 4 G 3.8092 8.3049 105.5160 45.6953 0.0000 173.0314 5 K 5.2319 8.4957 116.8355 55.1228 34.8595 175.9126 6 F 5.0472 9.5539 121.3560 55.8944 44.0267 174.4709 7 I 4.5288 8.3815 119.3257 59.1656 40.2995 174.9407 8 V 4.7139 7.4545 119.9476 59.4978 35.1471 174.8415 9 I 4.4896 8.5438 122.6330 59.4957 41.8922 174.1682 10 F 5.7425 8.5504 121.5664 55.3201 42.2279 175.5533 11 K 4.8110 8.9621 121.6525 56.1568 33.1760 175.1301 12 N 4.8924 8.4704 115.8660 54.3296 39.3598 174.9039 13 D 4.7138 8.0804 116.0137 55.0468 43.6001 176.0082 14 V 3.6111 7.7313 116.6338 61.7125 31.9806 176.0970 15 S 4.6094 8.2131 116.0058 57.2272 65.8802 175.0245 16 E 3.8807 8.4621 122.5640 59.5454 29.4181 178.3277 17 D 4.2916 8.0327 117.5798 57.2212 41.2759 178.1503 18 K 3.8409 8.2145 119.1260 59.5018 32.0647 178.9962 19 I 3.3296 7.7461 119.9761 64.7265 37.1142 178.6236 20 R 3.9155 8.1285 118.4520 59.7518 29.1733 178.4595 21 E 3.9476 8.3746 119.0278 58.8759 29.5187 179.0105 22 T 4.1922 8.6353 115.8966 66.9539 68.6341 176.7055 23 K 3.4443 7.7410 119.9304 59.5007 32.1621 179.1771 24 D 4.2793 7.9697 119.0353 57.3123 40.6271 178.4517 25 E 3.9600 9.3954 119.7475 59.6567 29.3910 180.0344 26 V 3.6487 7.6042 118.3696 64.6841 31.3110 178.2867 27 I 4.2170 7.6095 120.7202 63.6642 37.1142 177.9868 28 A 4.1264 8.2757 120.2930 55.6496 18.2389 178.4164 29 E 4.0940 8.4569 118.2333 57.9847 29.6510 176.8391 30 G 4.1258 9.7313 113.4323 45.5105 0.0000 173.6613 31 G 4.1470 7.7225 106.5860 46.0104 0.0000 170.7328 32 T 5.0484 9.3699 115.9568 61.8502 73.7503 172.9766 33 I 4.9131 8.2320 121.9018 60.2717 39.6609 175.4808 34 T 4.4580 8.8545 120.4615 62.8034 70.0591 173.7831 35 N 4.8597 8.3580 119.3964 51.8699 42.4170 174.2840 36 E 4.4763 8.6591 122.1245 55.3749 32.3212 175.9297 37 Y 4.8491 8.8791 118.7938 56.1026 38.7298 174.4317 38 N 4.9405 8.4397 122.8532 51.1341 36.4148 174.4189 39 M 4.7945 8.1402 124.5627 53.2918 35.3185 174.7164 40 P 4.3544 0.0000 0.0000 66.0121 31.8183 178.3974 41 G 3.7196 7.8743 106.7086 45.3428 0.0000 172.7595 42 M 4.7279 7.6893 119.8567 53.6401 35.0648 174.5671 43 K 4.5914 8.3359 124.3168 54.8368 34.0543 175.1047 44 G 3.8170 8.6675 110.5070 46.0365 0.0000 168.6742 45 F 4.9871 8.1494 112.5520 55.8189 41.7326 173.0332 46 A 4.7206 8.5928 121.6437 50.4543 22.1069 175.7035 47 G 4.6351 8.1322 106.7223 47.2921 0.0000 171.4331 48 E 5.2863 8.6313 121.4676 55.3024 31.6235 175.4535 49 L 4.8758 8.4743 125.0297 53.9534 45.9858 174.6998 50 T 4.7552 7.2945 114.3840 61.7002 72.3320 172.5029 51 P 4.2958 0.0000 0.0000 66.1101 31.0529 178.0656 52 Q 3.8357 7.8480 118.5361 59.1143 29.5016 177.3368 53 S 4.2376 7.9891 115.4964 62.4200 62.8780 175.9207 54 L 2.6598 7.5127 120.5268 57.6866 41.1145 179.5757 55 T 3.7870 7.8169 115.5188 67.3963 67.0473 175.2874 56 K 3.9512 7.7197 121.8097 58.3940 32.1474 177.1019 57 F 4.8120 6.7502 110.6017 56.9689 38.6853 177.5979 58 Q 4.1848 8.0789 122.5443 58.7608 29.0691 177.6943 59 G 3.7209 7.6279 105.8134 48.0037 0.0000 174.6617 60 L 4.1260 7.6002 120.6152 56.4735 42.5053 176.2013 61 Q 3.9188 7.1121 117.9455 57.4348 29.5283 176.6694 62 G 4.1634 8.6355 111.1040 45.3894 0.0000 174.0575 63 D 4.8028 7.6518 116.9462 54.5230 42.6451 176.5383 64 L 4.8042 7.8956 114.3756 54.7829 42.2523 175.8148 65 I 5.0461 7.6027 120.3861 60.1570 40.5445 175.1021 66 D 4.4860 9.1335 126.1698 56.9553 42.1661 176.1732 67 S 4.9825 7.8344 112.1782 56.9467 67.9642 172.9715 68 I 4.6540 8.2959 121.4220 59.3890 40.5058 175.1070 69 E 4.6485 9.0629 132.9449 54.3867 28.6140 173.9106 70 E 4.2859 8.1875 120.9810 55.7465 30.7552 176.6999 71 D 4.5792 6.6624 123.6328 53.7355 42.4177 175.4705 72 G 3.8206 6.9235 103.3310 45.9828 0.0000 173.7775 73 I 4.7135 8.9159 123.1150 59.4278 41.6772 175.5929 74 V 4.3232 7.5654 123.1443 59.6070 30.8156 174.6001 75 T 4.1376 7.2684 112.0886 61.1159 70.2658 172.5608 76 T 3.9605 8.7377 124.8064 64.1542 69.1353 174.1443 77 Q 4.2359 8.5318 121.5709 56.3005 28.8532 175.3722 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 G 8.35 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 2 S 8.04 4.42 0.00 4.19 3.72 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 3 A 8.68 4.52 1.40 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 4 G 8.30 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 5 K 8.50 5.23 0.00 1.72 1.78 0.00 1.63 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.71 7.81 6 F 9.55 5.05 0.00 2.86 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 7 I 8.38 4.53 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.20 1.08 0.00 0.00 8 V 7.45 4.71 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 0.70 0.00 0.00 0.62 0.00 0.00 9 I 8.54 4.49 1.73 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 1.11 0.61 0.88 0.00 0.00 10 F 8.55 5.74 0.00 2.89 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 11 K 8.96 4.81 0.00 1.80 2.04 0.00 1.22 0.00 0.00 2.49 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.45 7.81 12 N 8.47 4.89 0.00 2.71 2.86 0.00 0.00 6.65 8.49 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 13 D 8.08 4.71 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.73 3.61 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 1.04 0.00 0.00 0.78 0.00 0.00 15 S 8.21 4.61 0.00 4.05 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 16 E 8.46 3.88 0.00 2.11 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 2.38 2.42 0.00 17 D 8.03 4.29 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.21 3.84 0.00 1.84 1.70 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.43 7.81 19 I 7.75 3.33 2.09 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.73 1.01 0.00 0.00 20 R 8.13 3.92 0.00 1.94 1.94 0.00 3.10 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 21 E 8.37 3.95 0.00 2.05 1.85 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 2.24 2.51 0.00 22 T 8.64 4.19 3.97 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 1.05 0.00 0.00 23 K 7.74 3.44 0.00 1.87 1.59 0.00 1.52 0.00 0.00 1.47 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.54 1.32 7.81 24 D 7.97 4.28 0.00 2.87 2.66 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 0.00 0.00 0.00 0.00 25 E 9.40 3.96 0.00 2.10 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 2.31 2.30 0.00 26 V 7.60 3.65 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.06 0.00 0.00 27 I 7.61 4.22 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.89 0.00 0.00 28 A 8.28 4.13 1.26 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 0.00 0.00 0.00 29 E 8.46 4.09 0.00 2.10 2.03 0.00 0.00 0.00 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 2.38 0.00 30 G 9.73 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 0.00 0.00 0.00 0.00 31 G 7.72 4.15 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 0.00 0.00 0.00 32 T 9.37 5.05 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 1.22 0.00 0.00 33 I 8.23 4.91 1.84 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.51 1.07 0.00 0.00 34 T 8.85 4.46 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 1.27 0.00 0.00 35 N 8.36 4.86 0.00 2.48 2.54 0.00 0.00 6.57 7.78 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 36 E 8.66 4.48 0.00 1.99 1.93 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 2.23 2.28 0.00 37 Y 8.88 4.85 0.00 3.01 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 38 N 8.44 4.94 0.00 2.85 2.90 0.00 0.00 6.16 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 39 M 8.14 4.79 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 40 P 0.00 4.35 0.00 2.22 2.28 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 41 G 7.87 3.72 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 0.00 0.00 0.00 42 M 7.69 4.73 0.00 1.85 1.80 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 43 K 8.34 4.59 0.00 1.88 1.86 0.00 1.79 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.66 7.81 44 G 8.67 3.82 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 0.00 0.00 0.00 45 F 8.15 4.99 0.00 2.97 3.02 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 46 A 8.59 4.72 1.09 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 47 G 8.13 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.63 5.29 0.00 1.96 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 2.40 2.32 0.00 49 L 8.47 4.88 0.00 0.75 0.50 1.12 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.29 4.76 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 51 P 0.00 4.30 0.00 2.25 2.33 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 52 Q 7.85 3.84 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 53 S 7.99 4.24 0.00 3.88 4.17 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 0.00 0.00 0.00 0.00 54 L 7.51 2.66 0.00 1.58 1.58 1.19 1.00 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 55 T 7.82 3.79 4.30 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 1.15 0.00 0.00 56 K 7.72 3.95 0.00 1.74 1.81 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.45 1.63 7.81 57 F 6.75 4.81 0.00 3.37 3.28 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 58 Q 8.08 4.18 0.00 1.86 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 7.10 0.00 0.00 0.00 0.00 0.00 2.32 2.01 0.00 59 G 7.63 3.72 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 0.00 0.00 0.00 60 L 7.60 4.13 0.00 1.81 1.72 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 7.11 3.92 0.00 2.48 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 5.56 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 62 G 8.64 4.16 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 0.00 63 D 7.65 4.80 0.00 2.65 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 64 L 7.90 4.80 0.00 1.63 1.66 1.02 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.60 5.05 2.05 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.91 1.16 0.00 0.00 66 D 9.13 4.49 0.00 2.94 2.66 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 0.00 0.00 0.00 0.00 67 S 7.83 4.98 0.00 3.72 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.30 4.65 2.14 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.06 1.06 0.00 0.00 69 E 9.06 4.65 0.00 1.98 1.80 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 2.15 2.22 0.00 70 E 8.19 4.29 0.00 1.93 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 2.72 2.53 0.00 71 D 6.66 4.58 0.00 2.40 2.51 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 72 G 6.92 3.82 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 0.00 0.00 0.00 73 I 8.92 4.71 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.40 0.93 0.00 0.00 74 V 7.57 4.32 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 0.77 0.00 0.00 0.97 0.00 0.00 75 T 7.27 4.14 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 1.21 0.00 0.00 76 T 8.74 3.96 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 1.21 0.00 0.00 77 Q 8.53 4.24 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.66 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00