NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2566 8.1627 120.3454 54.8561 33.3174 174.3069 2 K 4.0961 8.5260 126.8111 57.0177 31.1697 173.9803 3 N 4.7021 8.9741 121.2496 52.6314 45.7800 174.5259 4 G 4.0706 7.6346 105.8030 45.8850 0.0000 175.3445 5 E 4.7375 7.6241 114.5995 54.4160 31.9674 175.1240 6 Q 4.1408 8.3040 122.1958 58.5637 29.5441 179.0945 7 N 4.6710 8.6681 110.0920 52.1531 39.9565 176.2154 8 G 4.6289 7.2041 115.1557 45.0556 0.0000 170.3773 9 P 4.4661 0.0000 0.0000 60.0913 31.3918 175.3357 10 T 3.7950 8.1219 120.2874 63.5343 68.2859 173.8777 11 T 4.6764 7.7992 122.5656 61.2668 71.6466 173.8369 12 C 4.3824 8.4137 124.3182 59.4506 31.2402 174.4472 13 T 3.7542 8.0612 118.4287 63.2670 68.5572 174.7786 14 N 4.6023 7.8649 119.0468 54.4184 39.8912 175.1974 15 C 4.7915 7.3048 108.7184 56.7286 30.8074 174.4261 16 F 3.9336 8.1858 117.2184 58.4500 35.7790 175.2958 17 T 4.0403 7.6587 116.4616 62.3299 67.5197 174.4265 18 Q 4.4658 8.7253 127.8799 56.4720 30.1540 174.9681 19 T 4.4964 7.4702 114.3358 62.4552 69.8667 173.6237 20 T 4.1903 7.6619 118.3622 60.4869 69.8670 171.3781 21 P 4.3644 0.0000 0.0000 64.6054 32.0457 176.1140 22 L 4.4771 7.1195 120.4735 53.5598 44.9694 174.6357 23 W 4.5182 8.9124 126.8143 56.3806 29.8221 176.1521 24 R 4.8754 9.1547 124.6883 54.6561 32.9504 174.8789 25 R 4.9090 8.1805 114.8888 54.9766 32.8187 174.1996 26 N 4.6969 10.1379 118.9932 51.9775 39.7827 174.4641 27 P 3.8034 0.0000 0.0000 65.1453 31.6789 176.5483 28 E 4.3362 8.1708 116.2269 55.9391 29.3848 177.0740 29 G 3.9327 9.0637 108.3224 45.3829 0.0000 173.6856 30 Q 4.4893 7.6338 119.4263 54.1387 30.3524 173.5961 31 P 4.3487 0.0000 0.0000 62.9971 32.8726 175.1579 32 L 4.9963 9.9396 122.2830 52.9880 45.0573 175.6289 33 C 4.5150 8.4811 120.5456 59.0112 32.1331 174.4750 34 N 4.2433 8.4938 112.6929 55.9216 37.2740 177.4019 35 A 4.0192 7.7131 123.4241 54.2980 18.6448 179.0657 36 C 4.4212 8.1278 114.8827 63.0911 28.1960 176.4632 37 G 3.6856 7.5464 104.5697 47.9150 0.0000 175.7164 38 L 4.0414 8.0106 121.6022 57.2201 41.6543 179.4191 39 F 3.9396 9.1664 121.7687 61.0399 39.4204 177.0846 40 L 4.1415 8.5563 120.4294 58.1619 41.6760 178.7847 41 K 3.8972 7.5695 118.1975 59.6882 32.2365 178.4701 42 L 4.0024 7.3965 117.8467 57.6114 41.0840 178.4633 43 H 4.3634 8.6539 116.0435 55.6068 28.9195 176.9583 44 G 4.0715 8.7363 107.1332 46.0356 0.0000 173.4534 45 V 4.5518 7.2653 111.2323 58.8150 35.5830 175.8383 46 V 3.8043 8.2426 115.8348 62.2341 32.0218 175.9314 47 R 4.3865 8.1449 120.0545 54.3738 32.9050 171.6529 48 P 4.2194 0.0000 0.0000 62.5476 30.9862 176.7371 49 L 4.0761 8.4448 123.8399 56.3383 41.7190 179.5391 50 S 4.3254 7.8374 112.8833 60.2479 62.9383 175.2199 51 L 4.0759 7.6753 120.5975 56.2430 41.6853 177.3655 52 K 3.9711 7.7916 120.2704 57.0204 32.6042 175.5473 53 T 4.6660 7.8799 116.4867 60.8162 70.3114 173.3697 54 D 4.6188 8.6463 125.2194 54.5165 41.5109 176.3680 55 V 4.3457 7.9592 120.3823 60.7970 33.1956 174.6455 56 I 4.4534 8.0334 127.2386 58.8936 39.6098 175.1573 57 K 4.0409 8.5673 126.7334 56.0951 32.5135 176.2088 58 K 4.1748 8.5647 126.3886 56.0892 32.6759 176.9865 59 R 4.5525 8.2146 122.9197 54.3012 32.4942 176.6777 60 N 4.7713 8.1746 117.2494 52.8301 38.7424 174.1681 61 R 4.5933 8.1827 115.0938 55.3152 34.0740 175.3053 62 N 4.7045 8.7951 120.2512 53.9275 38.4356 174.8820 63 S 4.4888 8.1504 112.3177 56.8219 64.8574 172.3699 64 A 4.0379 7.4725 131.0674 51.6372 22.2806 175.9289 65 N 4.0972 7.8758 125.0070 50.6055 43.9132 174.1917 66 S 4.4165 7.8688 118.3977 59.2148 62.4227 176.8388 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 4.26 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 2 K 8.53 4.10 0.00 1.81 1.75 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.58 7.81 3 N 8.97 4.70 0.00 2.69 2.97 0.00 0.00 7.29 7.65 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 4 G 7.63 4.07 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 0.00 5 E 7.62 4.74 0.00 1.90 1.90 0.00 0.00 0.00 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 2.38 0.00 6 Q 8.30 4.14 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 7 N 8.67 4.67 0.00 2.75 2.83 0.00 0.00 5.88 6.92 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 8 G 7.20 4.63 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 0.00 0.00 0.00 9 P 0.00 4.47 0.00 2.21 2.12 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 10 T 8.12 3.80 3.51 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 -0.40 0.00 0.00 11 T 7.80 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 1.34 0.00 0.00 12 C 8.41 4.38 0.00 3.16 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.06 3.75 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 1.13 0.00 0.00 14 N 7.86 4.60 0.00 2.66 2.86 0.00 0.00 6.75 7.67 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 15 C 7.30 4.79 0.00 3.08 3.08 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 0.00 0.00 0.00 0.00 16 F 8.19 3.93 0.00 3.24 3.24 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 17 T 7.66 4.04 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 1.11 0.00 0.00 18 Q 8.73 4.47 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 19 T 7.47 4.50 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 1.18 0.00 0.00 20 T 7.66 4.19 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 -0.43 0.00 0.00 21 P 0.00 4.36 0.00 2.16 2.10 0.00 3.64 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 22 L 7.12 4.48 0.00 1.58 1.47 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 23 W 8.91 4.52 0.00 3.24 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 24 R 9.15 4.88 0.00 1.85 1.89 0.00 3.27 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 25 R 8.18 4.91 0.00 1.77 1.87 0.00 3.04 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 26 N 10.14 4.70 0.00 2.76 2.71 0.00 0.00 7.52 7.60 0.00 0.00 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 P 0.00 3.80 0.00 2.08 2.14 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 28 E 8.17 4.34 0.00 2.05 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 2.29 2.34 0.00 29 G 9.06 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 30 Q 7.63 4.49 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.03 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 31 P 0.00 4.35 0.00 2.05 2.09 0.00 3.60 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 2.01 1.90 0.00 32 L 9.94 5.00 0.00 1.45 1.59 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 C 8.48 4.52 0.00 2.53 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 34 N 8.49 4.24 0.00 2.85 3.03 0.00 0.00 7.20 7.28 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 35 A 7.71 4.02 1.33 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 0.00 0.00 0.00 36 C 8.13 4.42 0.00 3.00 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 37 G 7.55 3.69 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 0.00 0.00 0.00 38 L 8.01 4.04 0.00 1.84 1.75 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 39 F 9.17 3.94 0.00 3.10 3.06 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 40 L 8.56 4.14 0.00 1.91 1.77 1.01 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.57 3.90 0.00 1.83 1.85 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 42 L 7.40 4.00 0.00 1.44 1.41 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.65 4.36 0.00 3.08 3.35 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.74 4.07 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 0.00 45 V 7.27 4.55 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 0.77 0.00 0.00 1.08 0.00 0.00 46 V 8.24 3.80 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 0.95 0.00 0.00 47 R 8.14 4.39 0.00 1.64 1.63 0.00 2.21 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.38 0.00 48 P 0.00 4.22 0.00 2.15 2.01 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 49 L 8.44 4.08 0.00 1.71 1.72 1.01 0.82 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 50 S 7.84 4.33 0.00 3.95 3.98 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 51 L 7.68 4.08 0.00 1.52 1.65 0.72 0.57 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 52 K 7.79 3.97 0.00 1.68 1.76 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.44 7.81 53 T 7.88 4.67 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 1.21 0.00 0.00 54 D 8.65 4.62 0.00 2.70 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 55 V 7.96 4.35 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 0.74 0.00 0.00 0.92 0.00 0.00 56 I 8.03 4.45 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.76 0.88 0.00 0.00 57 K 8.57 4.04 0.00 1.70 1.72 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.45 7.81 58 K 8.56 4.17 0.00 1.78 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.44 7.81 59 R 8.21 4.55 0.00 1.78 1.86 0.00 3.20 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 60 N 8.17 4.77 0.00 2.81 2.82 0.00 0.00 5.79 7.66 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 61 R 8.18 4.59 0.00 1.83 1.80 0.00 3.12 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 62 N 8.80 4.70 0.00 2.66 2.80 0.00 0.00 7.18 7.63 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 63 S 8.15 4.49 0.00 3.97 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 64 A 7.47 4.04 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 65 N 7.88 4.10 0.00 2.63 2.67 0.00 0.00 6.79 7.64 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 66 S 7.87 4.42 0.00 3.97 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00