NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6572 8.4244 118.1259 53.1813 39.7435 173.0573 2 Q 4.2019 8.5511 125.0028 53.9646 30.3446 173.0180 3 A 4.4255 9.2038 128.3292 51.7738 21.4438 176.0493 4 S 5.5827 8.4276 116.7683 56.3820 67.1385 173.5350 5 V 4.4625 8.1466 120.4457 62.1000 30.8747 174.8957 6 V 4.5518 8.1318 127.6438 61.2725 33.8416 174.7421 7 A 4.4135 8.2593 128.7183 52.3016 18.6185 177.9382 8 N 4.5103 8.8305 120.9332 54.7137 39.6570 173.5332 9 Q 4.4874 7.3877 116.7885 54.7882 32.9532 173.7904 10 L 4.1245 8.4856 122.9629 55.2194 41.9929 175.7970 11 I 4.3288 8.1811 128.4478 59.3357 38.1344 174.2955 12 P 4.9318 0.0000 0.0000 61.7564 32.7832 175.6764 13 I 3.8783 8.1890 120.1385 61.0833 38.9523 174.4337 14 N 4.2946 8.0399 118.6634 54.7405 36.8184 174.3905 15 T 4.8427 7.5371 111.6527 61.6949 73.1644 173.2628 16 A 4.8160 8.4802 125.0145 51.3133 20.4527 177.2983 17 L 4.5323 8.4400 120.5866 54.7545 43.9541 175.6892 18 T 4.8872 7.9747 108.9808 60.4359 71.9141 174.8590 19 L 3.9943 8.6325 121.3129 57.8120 41.8398 180.1477 20 V 3.6252 7.7631 117.2285 65.4325 31.6349 175.8564 21 M 4.6371 7.5652 118.3439 54.9735 32.2772 175.4604 22 M 5.1610 7.5507 116.8315 54.3267 36.5049 174.5823 23 R 4.5708 8.3970 116.2033 55.5215 33.6202 174.0103 24 S 4.9171 8.5406 116.7343 57.6082 63.7765 173.3013 25 E 4.7219 8.5835 125.4654 54.4736 33.5529 174.3591 26 V 4.1038 8.3310 124.8169 62.6853 32.2708 175.5639 27 V 4.4541 7.8074 118.5938 60.9061 35.6492 172.7488 28 T 4.6269 7.9827 114.3120 59.6780 70.0881 171.4841 29 P 4.4762 0.0000 0.0000 61.4637 32.5259 175.9248 30 V 3.7099 8.2782 118.1679 63.7141 31.6336 175.7142 31 G 4.2741 7.8716 117.4633 46.1018 0.0000 174.2488 32 I 4.2733 8.8028 127.1578 60.4264 38.0676 173.4948 33 P 5.1605 0.0000 0.0000 61.2406 32.9634 175.3896 34 A 4.5205 8.3284 119.8612 52.3813 18.5667 178.0153 35 E 4.3088 8.1025 119.6086 59.0747 30.4117 176.8106 36 D 4.9736 7.7681 117.8409 54.0613 41.6513 178.6997 37 I 3.6318 8.0164 122.0541 64.0198 37.1285 176.0937 38 P 4.4203 0.0000 0.0000 64.8484 31.6043 177.5067 39 R 4.1629 7.8144 117.3478 58.2054 30.3270 176.5294 40 L 4.5046 7.3855 117.1862 54.4343 42.1393 176.5142 41 V 3.9202 7.6838 117.9995 63.2039 32.4452 175.3960 42 S 3.8578 8.2190 121.8572 60.0395 60.9755 171.7111 43 M 4.5665 7.7480 119.0352 53.9324 33.6427 176.0188 44 Q 5.0260 8.5405 122.7766 55.2582 30.4273 175.8524 45 V 4.5235 8.2942 116.7209 60.1194 33.5248 176.9036 46 N 4.3577 8.4888 120.8558 54.9644 37.6574 174.6160 47 R 4.7964 7.4952 112.7055 54.0318 33.3063 174.1359 48 A 4.3031 8.5360 120.7406 51.5132 19.2885 177.2124 49 V 4.2932 8.3253 123.0160 60.5295 33.7463 173.6796 50 P 4.7114 0.0000 0.0000 61.6724 33.2844 175.7109 51 L 4.0931 8.4615 119.1385 55.1088 42.1223 177.4450 52 G 3.8287 8.1914 108.0589 46.6458 0.0000 174.5680 53 T 4.6330 7.1641 113.7319 61.8411 73.3928 175.4799 54 T 3.9110 8.6821 123.7439 63.7649 69.5276 173.5579 55 L 4.3019 8.6141 129.3526 54.5905 43.2301 175.9846 56 M 4.8049 8.5352 126.3828 53.4048 33.7491 175.5289 57 P 4.7944 0.0000 0.0000 65.2708 32.1935 177.5118 58 D 4.5179 8.1453 118.0218 56.3324 39.7379 177.4330 59 M 4.0700 7.8810 118.6365 57.5553 32.3961 175.9928 60 V 4.0229 7.4816 118.2797 61.6088 30.9640 175.2033 61 K 4.2781 7.9781 128.3323 57.7684 32.1394 176.5120 62 G 4.1465 9.1070 112.9976 45.8569 0.0000 173.0272 63 Y 4.3692 7.6531 120.3540 56.1763 39.4175 174.4469 64 A 4.1813 7.2483 128.9354 50.9190 21.7492 175.3283 65 A 3.9547 8.4856 124.9102 52.7707 18.7066 176.8470 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 N 8.42 4.66 0.00 2.73 2.85 0.00 0.00 6.81 6.81 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 2 Q 8.55 4.20 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 3 A 9.20 4.43 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 4 S 8.43 5.58 0.00 3.80 3.92 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 0.00 0.00 0.00 5 V 8.15 4.46 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 0.90 0.00 0.00 0.88 0.00 0.00 6 V 8.13 4.55 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.97 0.00 0.00 7 A 8.26 4.41 1.32 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 0.00 0.00 0.00 8 N 8.83 4.51 0.00 2.56 3.07 0.00 0.00 6.92 7.08 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 9 Q 7.39 4.49 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.99 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 10 L 8.49 4.12 0.00 1.67 1.61 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.18 4.33 2.07 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.08 0.90 0.00 0.00 12 P 0.00 4.93 0.00 2.07 2.06 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 13 I 8.19 3.88 1.94 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 1.34 0.82 0.91 0.00 0.00 14 N 8.04 4.29 0.00 2.98 2.88 0.00 0.00 6.72 7.42 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 15 T 7.54 4.84 4.36 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 1.21 0.00 0.00 16 A 8.48 4.82 1.21 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 0.00 0.00 0.00 17 L 8.44 4.53 0.00 1.62 1.57 0.90 0.55 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 18 T 7.97 4.89 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 19 L 8.63 3.99 0.00 1.76 1.75 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.76 3.63 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.92 0.00 0.00 21 M 7.57 4.64 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 22 M 7.55 5.16 0.00 1.79 1.87 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.45 0.00 23 R 8.40 4.57 0.00 1.87 1.96 0.00 2.75 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 24 S 8.54 4.92 0.00 3.76 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 25 E 8.58 4.72 0.00 1.94 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 26 V 8.33 4.10 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 0.86 0.00 0.00 0.93 0.00 0.00 27 V 7.81 4.45 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 0.66 0.00 0.00 0.93 0.00 0.00 28 T 7.98 4.63 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 29 P 0.00 4.48 0.00 2.22 2.05 0.00 3.83 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 30 V 8.28 3.71 2.09 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 0.81 0.00 0.00 0.94 0.00 0.00 31 G 7.87 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 0.00 0.00 0.00 0.00 32 I 8.80 4.27 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.68 0.87 0.00 0.00 33 P 0.00 5.16 0.00 2.09 2.09 0.00 3.45 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.85 0.00 34 A 8.33 4.52 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 35 E 8.10 4.31 0.00 1.99 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 2.28 2.33 0.00 36 D 7.77 4.97 0.00 2.69 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 37 I 8.02 3.63 1.85 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 1.44 0.45 0.88 0.00 0.00 38 P 0.00 4.42 0.00 2.17 2.17 0.00 3.64 0.00 0.00 3.64 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 39 R 7.81 4.16 0.00 2.01 2.13 0.00 3.48 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 40 L 7.39 4.50 0.00 1.52 1.46 0.26 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.68 3.92 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.96 0.00 0.00 42 S 8.22 3.86 0.00 4.09 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 43 M 7.75 4.57 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 44 Q 8.54 5.03 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.23 0.00 45 V 8.29 4.52 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.98 0.00 0.00 46 N 8.49 4.36 0.00 2.79 3.02 0.00 0.00 6.69 7.59 0.00 0.00 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 R 7.50 4.80 0.00 1.77 1.93 0.00 3.03 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 48 A 8.54 4.30 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 49 V 8.33 4.29 2.07 0.00 0.00 0.00 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 0.93 0.00 0.00 50 P 0.00 4.71 0.00 2.11 2.07 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 51 L 8.46 4.09 0.00 1.53 1.64 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.19 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 53 T 7.16 4.63 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 1.21 0.00 0.00 54 T 8.68 3.91 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 1.25 0.00 0.00 55 L 8.61 4.30 0.00 1.91 1.50 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 56 M 8.54 4.80 0.00 2.35 1.97 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 57 P 0.00 4.79 0.00 2.26 2.54 0.00 3.82 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 2.03 2.05 0.00 58 D 8.15 4.52 0.00 2.80 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 59 M 7.88 4.07 0.00 2.30 2.16 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 2.63 2.48 0.00 60 V 7.48 4.02 2.21 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 0.98 0.00 0.00 1.03 0.00 0.00 61 K 7.98 4.28 0.00 1.76 1.77 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.40 7.81 62 G 9.11 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 63 Y 7.65 4.37 0.00 2.91 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 64 A 7.25 4.18 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.49 3.95 1.20 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 0.00 0.00 0.00 0.00 0.00