NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4183 0.0000 0.0000 61.9555 32.6468 176.2056 2 K 3.9932 8.5819 121.8611 55.8527 32.6177 175.4101 3 I 3.9112 9.2564 125.3226 61.3565 38.5796 175.3800 4 K 4.4394 8.5318 124.9510 55.2792 33.0459 176.7021 5 T 4.1934 8.3708 114.4527 61.0737 69.8495 175.7063 6 V 3.8162 8.6902 125.0350 62.6460 28.9718 176.5318 7 R 3.7441 7.9400 121.2450 58.8192 29.9193 177.9223 8 G 3.9736 7.9121 107.0887 48.1642 0.0000 174.8588 9 A 4.3100 8.2586 122.9212 54.7749 18.2048 179.6317 10 A 4.4357 7.9069 115.2653 53.0962 17.7349 177.8380 11 K 4.6277 8.3303 115.1307 57.2897 33.1904 176.9644 12 R 4.3708 7.7665 114.5379 55.4389 32.0339 173.8961 13 F 5.2281 7.4077 115.6247 56.2384 43.9264 173.9846 14 K 4.3689 9.1035 114.3588 55.6573 35.2335 173.5564 15 K 3.5155 8.9659 129.1348 56.8563 32.8452 176.1534 16 T 4.8279 8.1577 116.1691 60.2878 70.5286 175.0001 17 G 3.7950 8.7153 108.8603 48.3053 0.0000 172.9499 18 K 4.2896 7.6335 118.6261 55.8443 34.5838 176.3882 19 G 3.6474 8.9941 105.9543 49.0643 0.0000 174.0037 20 G 4.0102 7.2628 108.3101 45.9116 0.0000 173.6778 21 F 4.4804 8.3663 114.2187 55.3962 41.8677 172.5882 22 K 4.3902 8.6147 126.3069 55.9826 33.5365 174.5118 23 H 4.6246 8.9885 121.0330 54.5734 30.0204 171.8857 24 K 4.5565 8.5268 119.1135 54.8768 35.0518 176.0920 25 H 4.6165 8.5277 121.0993 55.2286 29.6954 176.1321 26 A 4.2498 8.4253 125.3605 52.9809 20.3682 176.2331 27 N 4.2010 8.6650 109.9000 54.0384 36.1483 173.8170 28 L 4.8282 7.2884 113.3260 55.1382 42.9405 175.9259 29 R 4.5211 7.8855 110.2391 56.4791 32.5297 173.5342 30 H 4.7071 7.9952 117.5918 55.8011 32.9153 172.8620 31 I 3.2262 8.3112 117.9306 62.2170 35.5137 172.6164 32 L 4.6730 7.7914 124.8619 54.7240 44.4635 178.7280 33 T 3.8598 8.2602 112.6887 64.7204 67.1613 174.2108 34 K 4.5753 7.7431 118.6735 56.8975 33.3767 176.2957 35 K 4.5593 7.7092 116.9062 54.6123 36.0482 177.0761 36 A 4.0710 8.5082 124.4145 52.2885 19.2040 178.5832 37 T 3.8216 8.7786 116.2903 65.6342 68.3559 175.6408 38 K 3.8748 8.2002 121.6027 58.8584 32.0079 178.4589 39 R 3.8180 7.6599 118.9546 59.4796 30.5510 178.2397 40 K 4.1054 8.0399 117.9434 59.5881 32.0151 179.3841 41 R 3.9391 8.3161 117.5441 59.3245 29.9076 177.3559 42 H 4.6704 8.2572 115.0800 58.0402 29.3195 176.7260 43 L 4.2749 8.0468 118.9929 55.8615 41.7139 178.8966 44 R 4.1355 7.9739 118.2915 57.8242 30.3556 175.2027 45 P 4.4406 0.0000 0.0000 62.5245 32.0195 175.5857 46 K 4.5187 8.3221 118.0039 55.7680 34.3282 175.8939 47 A 4.3539 7.8857 117.3279 51.5677 21.9097 176.4447 48 M 4.5999 8.9298 121.4550 55.4464 33.1693 176.7342 49 V 4.0358 8.4510 113.4176 60.9797 32.5326 177.9108 50 S 4.0794 8.7931 117.6457 59.2343 62.9738 176.7346 51 K 3.6713 8.3596 124.2840 57.7040 32.9173 176.9785 52 G 3.7339 8.8828 107.7573 47.9400 0.0000 174.1730 53 D 4.6318 7.5673 117.9743 53.8700 41.8118 177.8827 54 L 3.8928 8.0889 122.1562 58.3413 41.5910 178.5735 55 G 3.9090 8.0673 103.3652 48.0800 0.0000 174.6820 56 L 4.0545 7.3575 119.9964 57.3558 42.0102 179.3754 57 V 3.2533 7.5138 117.2253 65.8025 31.9859 177.4024 58 I 4.0355 7.3914 118.0149 60.0738 34.1866 174.9961 59 A 4.6853 7.1248 120.8038 53.5359 26.3000 177.8476 60 C 4.3270 8.0918 113.3070 61.2579 29.3933 173.3477 61 L 4.9158 7.3073 118.9427 52.0676 41.4003 174.7702 62 P 4.1889 0.0000 0.0000 65.8461 31.8317 177.6997 63 Y 4.4407 7.9052 112.8435 58.1035 38.2835 175.3571 64 A 4.3089 7.8380 128.5666 52.6334 18.4275 178.3545 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 P 0.00 4.42 0.00 2.21 2.14 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.01 0.00 2 K 8.58 3.99 0.00 1.87 1.88 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.54 7.81 3 I 9.26 3.91 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.51 0.98 0.00 0.00 4 K 8.53 4.44 0.00 1.77 1.77 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.44 7.81 5 T 8.37 4.19 4.33 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 1.43 0.00 0.00 6 V 8.69 3.82 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 0.97 0.00 0.00 0.94 0.00 0.00 7 R 7.94 3.74 0.00 1.95 1.89 0.00 3.37 0.00 0.00 3.35 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 8 G 7.91 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 0.00 0.00 0.00 0.00 9 A 8.26 4.31 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.91 4.44 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 11 K 8.33 4.63 0.00 1.83 1.76 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.60 7.81 12 R 7.77 4.37 0.00 0.76 1.28 0.00 3.05 0.00 0.00 3.06 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.46 0.00 13 F 7.41 5.23 0.00 2.92 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 14 K 9.10 4.37 0.00 1.98 1.75 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.45 7.81 15 K 8.97 3.52 0.00 1.65 1.60 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.72 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.21 0.52 7.81 16 T 8.16 4.83 4.20 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 1.26 0.00 0.00 17 G 8.72 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.63 4.29 0.00 1.86 1.85 0.00 1.29 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.37 7.81 19 G 8.99 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 0.00 0.00 0.00 20 G 7.26 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 21 F 8.37 4.48 0.00 3.15 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 22 K 8.61 4.39 0.00 1.93 1.86 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.53 7.81 23 H 8.99 4.62 0.00 3.21 3.40 0.00 5.45 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.53 4.56 0.00 1.65 1.65 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.34 7.81 25 H 8.53 4.62 0.00 3.38 3.21 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.43 4.25 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 27 N 8.67 4.20 0.00 2.90 2.94 0.00 0.00 5.57 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.29 4.83 0.00 1.77 1.62 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.89 4.52 0.00 1.90 1.94 0.00 3.05 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 30 H 8.00 4.71 0.00 3.05 3.11 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.31 3.23 1.88 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 1.41 0.85 0.84 0.00 0.00 32 L 7.79 4.67 0.00 1.71 1.64 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.26 3.86 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 34 K 7.74 4.58 0.00 1.90 1.87 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.45 7.81 35 K 7.71 4.56 0.00 1.95 1.69 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.35 7.81 36 A 8.51 4.07 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 37 T 8.78 3.82 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 38 K 8.20 3.87 0.00 1.79 1.75 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.28 7.81 39 R 7.66 3.82 0.00 1.83 2.18 0.00 3.29 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 40 K 8.04 4.11 0.00 1.87 1.84 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.63 7.81 41 R 8.32 3.94 0.00 1.87 2.15 0.00 3.26 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 42 H 8.26 4.67 0.00 3.32 3.29 0.00 5.72 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.05 4.27 0.00 1.72 1.76 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.97 4.14 0.00 1.80 2.02 0.00 3.22 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 45 P 0.00 4.44 0.00 2.18 2.08 0.00 3.73 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 2.09 2.00 0.00 46 K 8.32 4.52 0.00 1.64 1.95 0.00 2.06 0.00 0.00 0.61 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.22 7.81 47 A 7.89 4.35 1.10 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 0.00 0.00 0.00 48 M 8.93 4.60 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 49 V 8.45 4.04 2.11 0.00 0.00 0.00 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 1.05 0.00 0.00 50 S 8.79 4.08 0.00 4.02 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.36 3.67 0.00 1.91 1.99 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.43 7.81 52 G 8.88 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.57 4.63 0.00 2.65 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 54 L 8.09 3.89 0.00 1.76 1.85 1.11 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.07 3.91 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 0.00 0.00 0.00 56 L 7.36 4.05 0.00 1.78 1.66 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.51 3.25 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 0.38 0.00 0.00 58 I 7.39 4.04 1.87 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.90 1.01 0.00 0.00 59 A 7.12 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.09 4.33 0.00 2.95 2.98 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 0.00 0.00 0.00 61 L 7.31 4.92 0.00 1.71 1.65 0.73 1.16 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 62 P 0.00 4.19 0.00 1.95 1.97 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.26 0.00 63 Y 7.91 4.44 0.00 3.00 3.01 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 64 A 7.84 4.31 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00