NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4767 8.1633 120.3264 54.5698 33.6523 176.4918 2 R 3.7770 7.9776 120.0050 58.5083 30.3146 176.6481 3 K 3.7953 8.9529 120.6783 59.9269 32.4407 177.9039 4 Q 5.0713 8.2689 119.6409 58.4896 28.5759 178.7790 5 L 3.9211 7.8359 121.0404 58.7659 41.9215 178.5146 6 E 3.9672 8.3097 118.2107 59.5772 29.3641 179.0003 7 E 3.9184 8.2154 117.7087 59.9044 29.4478 178.2897 8 A 3.8650 8.6035 117.5609 55.0024 18.1338 180.3807 9 R 3.8560 7.6650 118.4510 58.3033 30.8822 178.1405 10 K 3.8345 7.9714 116.5219 59.7436 32.3472 178.1409 11 L 4.4599 7.9347 118.5005 55.2652 43.4859 177.7115 12 S 4.6321 8.9877 120.1708 56.0535 67.4022 175.7802 13 P 4.5246 0.0000 0.0000 64.6744 30.1990 178.3794 14 V 4.3424 8.6269 118.9107 65.5050 32.2690 176.6234 15 E 3.9233 8.9225 118.4580 57.7227 28.8765 179.3736 16 L 3.7972 6.7317 121.1977 59.2858 42.8480 177.7612 17 E 3.8212 8.7524 117.3489 60.4840 29.1573 179.2569 18 K 3.9363 8.6083 119.8575 60.3036 32.8761 179.0262 19 L 3.9296 8.3335 122.0277 58.0376 42.0238 179.2275 20 V 3.6184 8.1934 119.2705 65.6963 31.1725 177.3986 21 R 3.8005 8.3991 117.1250 58.9944 29.6863 178.3876 22 E 3.9013 8.8261 118.1465 60.0386 29.9363 179.6064 23 K 3.8282 8.3088 118.1520 59.9576 32.1285 178.8940 24 K 3.8486 8.5185 118.4290 59.9275 31.9886 179.0804 25 R 3.9418 8.1817 117.9444 59.8391 30.0227 178.2714 26 E 3.8069 8.3503 118.2903 59.6173 29.5732 178.9016 27 L 3.9752 8.3305 118.5428 58.2496 41.6241 179.0217 28 M 3.9455 8.0808 116.8149 59.1172 32.3663 177.5427 29 E 4.1005 8.6031 118.3122 59.8211 29.7222 179.3696 30 L 4.3462 8.0219 119.8124 57.5906 41.7860 179.6903 31 R 3.9068 8.2604 117.9362 59.7154 29.8610 178.8631 32 F 4.0513 8.4102 115.5742 60.8112 39.1585 177.2662 33 Q 4.2015 9.1024 117.7387 58.4785 29.6283 174.9592 34 A 4.2537 7.1240 125.1031 49.9090 18.2767 177.5088 35 S 6.0526 8.7149 129.3813 58.4573 65.8479 178.9944 36 I 3.9971 7.8558 118.1581 60.7094 35.8172 176.1944 37 G 3.6830 8.8840 103.5490 46.7724 0.0000 175.2026 38 Q 3.5714 7.5532 119.6159 54.9853 26.5809 176.5204 39 L 3.2214 7.4780 116.1410 57.9688 43.6407 178.2291 40 S 4.1521 8.4458 116.1186 61.7552 63.6256 176.3689 41 Q 3.8025 8.8569 119.1738 60.7336 28.3821 181.6862 42 N 3.5699 8.1696 114.5034 55.0138 39.1952 176.2903 43 H 4.1684 7.2119 115.6478 59.1385 29.0685 177.5450 44 K 3.8607 8.5396 121.7237 60.5666 31.8446 177.5689 45 I 3.7657 7.9491 112.8690 63.0610 37.1803 177.5359 46 R 3.8737 8.4357 119.6968 59.1662 30.2062 178.6165 47 D 4.3138 8.3925 118.2189 57.1414 40.8695 178.1897 48 L 3.8951 7.9752 120.6765 58.6920 41.9311 178.7384 49 K 3.8521 8.4078 119.1738 59.4133 31.9981 178.5385 50 R 3.9042 8.3023 118.1199 59.5696 30.1087 178.5954 51 Q 3.9873 8.3811 117.6216 59.2337 28.7551 179.0406 52 I 3.6475 8.0161 120.3100 64.5914 37.1614 177.8410 53 A 3.9718 8.2115 121.5707 56.0594 18.0367 179.2477 54 R 3.7885 8.6269 115.5330 59.9618 30.1895 179.5426 55 L 3.8426 8.3751 118.1104 58.1205 41.7197 179.3546 56 L 3.9809 8.2732 119.1783 57.9500 41.4562 179.7545 57 T 3.8469 8.4015 115.3565 67.4351 68.4777 176.2504 58 V 3.6607 8.3014 114.8420 63.7833 31.5651 177.8900 59 L 3.8729 8.2986 119.7088 59.1875 41.9759 178.2283 60 N 4.1140 8.5043 115.8548 56.8673 38.5612 175.8656 61 E 3.8232 8.8881 119.8446 59.8018 29.8571 179.4467 62 K 3.9062 8.4035 119.0285 59.8323 32.4455 179.2002 63 R 4.0002 8.2357 117.6802 58.9122 29.7536 178.2152 64 R 3.8781 7.9431 117.5639 59.8562 30.0507 178.1062 65 Q 4.1217 8.5780 119.5976 59.9134 29.0774 177.9778 66 N 3.8090 8.2539 114.2632 57.4795 38.8733 174.7782 67 A 4.3565 8.4538 127.7856 52.3448 19.0753 176.9008 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 M 8.16 4.48 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 2 R 7.98 3.78 0.00 1.97 2.01 0.00 3.20 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 3 K 8.95 3.80 0.00 1.78 1.82 0.00 1.90 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.50 7.81 4 Q 8.27 5.07 0.00 2.41 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.50 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 5 L 7.84 3.92 0.00 1.73 2.03 0.92 0.87 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 6 E 8.31 3.97 0.00 2.09 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 2.44 2.50 0.00 7 E 8.22 3.92 0.00 2.05 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 2.41 2.46 0.00 8 A 8.60 3.86 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.67 3.86 0.00 1.92 1.96 0.00 3.37 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 1.93 1.88 0.00 10 K 7.97 3.83 0.00 1.96 1.86 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.75 1.67 7.81 11 L 7.93 4.46 0.00 1.62 1.64 0.96 0.72 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 12 S 8.99 4.63 0.00 3.88 3.05 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 0.00 0.00 0.00 13 P 0.00 4.52 0.00 2.33 1.86 0.00 3.98 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.89 0.00 14 V 8.63 4.34 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 0.98 0.00 0.00 0.93 0.00 0.00 15 E 8.92 3.92 0.00 2.07 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 2.41 2.44 0.00 16 L 6.73 3.80 0.00 1.81 2.14 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.75 3.82 0.00 2.22 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 2.34 2.50 0.00 18 K 8.61 3.94 0.00 1.97 2.08 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.76 1.46 7.81 19 L 8.33 3.93 0.00 1.67 1.93 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.19 3.62 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 1.04 0.00 0.00 0.94 0.00 0.00 21 R 8.40 3.80 0.00 2.07 1.93 0.00 3.34 0.00 0.00 3.17 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.85 0.00 22 E 8.83 3.90 0.00 2.05 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 2.51 2.55 0.00 23 K 8.31 3.83 0.00 1.94 1.90 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.71 7.81 24 K 8.52 3.85 0.00 1.92 1.91 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.65 7.81 25 R 8.18 3.94 0.00 2.09 2.01 0.00 3.37 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 26 E 8.35 3.81 0.00 2.03 2.26 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 2.34 2.41 0.00 27 L 8.33 3.98 0.00 1.93 1.75 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 28 M 8.08 3.95 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 3.41 0.00 29 E 8.60 4.10 0.00 2.29 1.97 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 2.17 2.65 0.00 30 L 8.02 4.35 0.00 1.72 1.80 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.26 3.91 0.00 1.77 1.86 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 32 F 8.41 4.05 0.00 3.00 3.17 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 33 Q 9.10 4.20 0.00 2.40 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 34 A 7.12 4.25 1.29 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 0.00 0.00 35 S 8.71 6.05 0.00 3.91 4.05 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 0.00 0.00 0.00 36 I 7.86 4.00 1.89 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 1.35 1.18 0.98 0.00 0.00 37 G 8.88 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 0.00 0.00 0.00 38 Q 7.55 3.57 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.49 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 39 L 7.48 3.22 0.00 1.64 1.50 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.45 4.15 0.00 3.85 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 41 Q 8.86 3.80 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.08 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 42 N 8.17 3.57 0.00 2.74 2.92 0.00 0.00 7.12 7.48 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 43 H 7.21 4.17 0.00 3.28 3.36 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.54 3.86 0.00 1.81 1.86 0.00 1.54 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.55 7.81 45 I 7.95 3.77 1.87 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 1.78 0.37 0.95 0.00 0.00 46 R 8.44 3.87 0.00 1.93 2.02 0.00 3.11 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 47 D 8.39 4.31 0.00 2.84 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 48 L 7.98 3.90 0.00 2.12 1.64 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.41 3.85 0.00 2.01 1.92 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.50 7.81 50 R 8.30 3.90 0.00 1.97 2.01 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.14 0.00 51 Q 8.38 3.99 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 52 I 8.02 3.65 1.95 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 1.96 0.79 0.92 0.00 0.00 53 A 8.21 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.63 3.79 0.00 1.88 1.97 0.00 3.17 0.00 0.00 3.17 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 55 L 8.38 3.84 0.00 1.97 1.70 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.27 3.98 0.00 1.87 1.66 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.40 3.85 4.34 0.00 0.00 0.00 0.00 0.00 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 58 V 8.30 3.66 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 0.82 0.00 0.00 1.03 0.00 0.00 59 L 8.30 3.87 0.00 1.76 1.70 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.50 4.11 0.00 2.87 2.99 0.00 0.00 6.80 7.25 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 61 E 8.89 3.82 0.00 2.05 2.12 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 2.32 2.36 0.00 62 K 8.40 3.91 0.00 1.86 1.78 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.48 7.81 63 R 8.24 4.00 0.00 1.91 1.96 0.00 3.20 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 64 R 7.94 3.88 0.00 2.06 1.88 0.00 3.34 0.00 0.00 3.22 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 65 Q 8.58 4.12 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 66 N 8.25 3.81 0.00 2.68 2.90 0.00 0.00 7.18 8.56 0.00 0.00 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 A 8.45 4.36 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