NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1541 8.2649 123.5852 50.1725 20.6737 174.0946 2 K 3.5611 8.1236 120.7539 55.5545 31.6536 171.6716 3 E 4.2579 9.5149 125.5497 56.2294 31.0892 176.3054 4 K 4.5033 8.4984 121.8319 56.7002 32.3634 176.3395 5 D 4.7339 7.9577 116.6847 53.6114 39.5314 175.7449 6 T 4.4250 7.6769 116.5215 63.3970 69.4042 174.1641 7 I 4.3901 7.8600 126.1911 59.3601 39.5216 176.2012 8 R 4.7729 7.9626 122.9154 55.8262 29.4081 176.1432 9 T 4.1848 7.6715 113.8035 61.8398 69.4844 174.3625 10 E 4.7281 8.6499 126.6286 56.3088 31.5265 175.3711 11 G 4.2222 8.6232 105.8785 45.8952 0.0000 172.4943 12 V 4.8252 8.5178 121.5797 60.8690 33.8455 175.1861 13 V 3.6349 8.5154 127.8764 63.6602 32.0594 174.5015 14 T 4.5276 8.8954 122.5319 62.9717 69.3876 173.3343 15 E 4.6367 8.1249 121.7024 55.0314 32.8769 175.0289 16 A 4.9111 8.5814 127.9424 50.8072 18.0697 176.3705 17 L 4.4163 8.1236 120.0400 53.2914 43.5258 175.0934 18 P 4.4851 0.0000 0.0000 63.4839 31.9196 175.0293 19 N 3.9875 9.1111 112.5550 54.5760 35.9157 173.9812 20 A 3.5419 7.8257 114.5636 53.9447 16.1209 177.8269 21 T 4.6232 6.8859 115.4202 62.8915 71.5221 174.0002 22 F 5.1266 8.4886 122.4251 55.7800 42.9416 175.0991 23 R 3.8543 8.5412 121.0521 57.6384 30.2439 177.7124 24 V 3.1414 7.6225 110.5884 63.5982 29.1881 172.4180 25 K 4.3690 8.8576 133.8268 55.3724 31.5706 176.3820 26 L 4.5810 8.4114 127.0671 54.6468 42.1903 177.9300 27 D 4.3389 8.2434 121.2102 56.3119 41.2820 178.1301 28 S 4.4194 7.6251 114.4983 60.5436 63.8499 173.5875 29 G 4.1184 7.1754 109.4398 44.6992 0.0000 175.8999 30 P 4.5843 0.0000 0.0000 61.7087 32.1129 174.0033 31 E 5.1243 8.6339 118.4782 55.3763 32.0835 175.1192 32 I 4.5835 7.7180 115.6705 59.1065 40.1659 175.5180 33 L 4.2364 10.0550 121.6546 56.9574 42.3054 178.2677 34 A 3.9811 7.0568 119.7368 50.9901 17.7072 175.9194 35 Y 5.1048 8.4408 119.4356 55.9761 41.0394 175.0921 36 I 4.3939 8.0031 121.5182 60.8223 38.1972 176.4842 37 S 4.2635 8.2684 119.2646 57.9071 62.8090 175.4836 38 G 3.7723 8.5644 110.6929 47.0450 0.0000 176.1370 39 K 4.1711 7.7216 120.7099 59.5090 31.8657 179.0476 40 M 4.1780 7.8641 118.2979 57.9818 31.8727 178.7501 41 R 4.0877 7.8916 117.5774 58.9225 30.2911 178.2493 42 M 4.2035 7.4399 117.6738 56.9734 32.1880 176.6766 43 H 4.7544 7.4727 113.6147 55.1060 28.5505 173.9216 44 Y 3.3013 6.7497 117.5251 54.5797 36.9793 169.7283 45 I 3.0200 8.0170 128.1553 62.5964 34.8190 174.2083 46 R 4.3090 8.3508 124.2409 55.1641 29.8388 176.5858 47 I 4.0807 8.2760 124.8067 60.1493 37.9995 176.1111 48 L 4.5047 8.4888 126.1386 53.0594 42.6610 176.2272 49 P 4.6055 0.0000 0.0000 62.4162 30.4438 176.1497 50 G 4.3587 7.2053 98.9566 46.8966 0.0000 173.7945 51 D 5.1210 7.6672 118.9201 51.9647 44.7279 176.0459 52 R 4.6465 8.2983 121.3657 55.9530 31.3408 175.5567 53 V 4.6385 9.3107 120.0175 59.5484 36.4977 174.5744 54 V 4.2218 8.2768 123.0909 61.8511 33.0443 174.4990 55 V 4.5645 8.4516 128.3328 61.3696 33.3898 175.2999 56 E 4.5688 9.5746 130.7251 55.1324 29.1513 173.4585 57 I 4.4916 8.1001 126.7105 59.8986 39.0902 174.8790 58 T 4.5828 8.3827 123.3485 61.8577 69.6860 174.2846 59 P 4.0253 0.0000 0.0000 65.0760 31.8572 177.2723 60 Y 4.3570 7.7307 116.6881 60.2180 37.7822 175.0388 61 D 4.7573 7.9232 119.2671 51.4900 43.1018 174.0693 62 P 4.1071 0.0000 0.0000 66.0837 31.7679 177.8947 63 T 4.1496 7.9773 114.9784 65.4076 69.5619 174.6559 64 R 4.8664 7.5359 120.2557 54.8731 31.5161 176.1236 65 G 4.2629 8.4182 108.5079 45.4769 0.0000 170.7330 66 R 4.5964 7.9947 118.7192 54.8287 34.0099 174.4035 67 I 4.0137 8.4451 128.3879 61.8420 37.4699 176.0422 68 V 4.0424 8.7931 128.5232 64.9352 31.4338 175.7251 69 Y 4.2434 8.0839 119.3663 57.3475 38.8221 175.4542 70 R 4.3068 8.4728 119.9403 55.2319 30.3467 176.5653 71 K 4.5297 8.6292 120.9800 55.7773 32.2331 175.2477 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 A 8.26 4.15 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 2 K 8.12 3.56 0.00 2.01 1.86 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.54 7.81 3 E 9.51 4.26 0.00 1.97 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 0.00 2.34 2.38 0.00 4 K 8.50 4.50 0.00 1.73 1.80 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.35 7.81 5 D 7.96 4.73 0.00 2.67 2.67 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 0.00 0.00 0.00 0.00 6 T 7.68 4.42 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 1.27 0.00 0.00 7 I 7.86 4.39 1.84 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 1.20 0.76 0.88 0.00 0.00 8 R 7.96 4.77 0.00 1.61 1.80 0.00 3.38 0.00 0.00 3.15 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 9 T 7.67 4.18 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 10 E 8.65 4.73 0.00 1.98 1.79 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 2.26 2.21 0.00 11 G 8.62 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 0.00 0.00 0.00 0.00 12 V 8.52 4.83 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 0.80 0.00 0.00 0.93 0.00 0.00 13 V 8.52 3.63 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 0.55 0.00 0.00 0.71 0.00 0.00 14 T 8.90 4.53 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 1.23 0.00 0.00 15 E 8.12 4.64 0.00 2.13 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 2.32 2.39 0.00 16 A 8.58 4.91 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 17 L 8.12 4.42 0.00 1.63 1.51 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.49 0.00 2.13 2.02 0.00 3.87 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 19 N 9.11 3.99 0.00 2.83 2.89 0.00 0.00 6.89 7.35 0.00 0.00 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 A 7.83 3.54 1.36 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 0.00 0.00 0.00 21 T 6.89 4.62 4.12 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 1.26 0.00 0.00 22 F 8.49 5.13 0.00 3.04 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 23 R 8.54 3.85 0.00 1.85 2.01 0.00 3.38 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 24 V 7.62 3.14 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 0.87 0.00 0.00 0.98 0.00 0.00 25 K 8.86 4.37 0.00 1.83 1.83 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.22 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.42 1.45 7.81 26 L 8.41 4.58 0.00 1.91 1.55 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.24 4.34 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 28 S 7.63 4.42 0.00 3.99 3.86 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 29 G 7.18 4.12 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 0.00 0.00 0.00 30 P 0.00 4.58 0.00 2.20 2.04 0.00 3.54 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 31 E 8.63 5.12 0.00 1.92 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 0.00 2.21 2.32 0.00 32 I 7.72 4.58 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.93 0.97 0.00 0.00 33 L 10.05 4.24 0.00 1.81 1.83 0.94 0.48 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 34 A 7.06 3.98 1.36 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 0.00 0.00 0.00 35 Y 8.44 5.10 0.00 3.11 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.39 1.97 0.00 0.00 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 1.38 0.93 0.97 0.00 0.00 37 S 8.27 4.26 0.00 3.99 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 38 G 8.56 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.72 4.17 0.00 1.73 1.74 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.58 7.81 40 M 7.86 4.18 0.00 2.07 2.10 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 2.64 2.59 0.00 41 R 7.89 4.09 0.00 1.78 1.92 0.00 3.37 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 42 M 7.44 4.20 0.00 2.09 2.34 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 43 H 7.47 4.75 0.00 3.23 3.37 0.00 5.98 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 6.75 3.30 0.00 3.24 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.02 3.02 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.66 0.94 0.00 0.00 46 R 8.35 4.31 0.00 1.85 1.96 0.00 3.45 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 47 I 8.28 4.08 1.55 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 0.67 0.49 0.00 0.00 48 L 8.49 4.50 0.00 1.88 1.57 0.92 1.15 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 49 P 0.00 4.61 0.00 2.21 2.23 0.00 3.84 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 2.01 2.01 0.00 50 G 7.21 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 0.00 0.00 0.00 0.00 51 D 7.67 5.12 0.00 2.47 2.49 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 0.00 0.00 0.00 0.00 52 R 8.30 4.65 0.00 1.91 1.77 0.00 3.12 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 53 V 9.31 4.64 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 0.57 0.00 0.00 0.91 0.00 0.00 54 V 8.28 4.22 1.95 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 0.87 0.00 0.00 0.51 0.00 0.00 55 V 8.45 4.56 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 0.84 0.00 0.00 0.91 0.00 0.00 56 E 9.57 4.57 0.00 2.10 1.79 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 2.23 2.28 0.00 57 I 8.10 4.49 1.86 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 1.22 0.93 0.96 0.00 0.00 58 T 8.38 4.58 4.32 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 1.29 0.00 0.00 59 P 0.00 4.03 0.00 1.94 2.04 0.00 3.60 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 1.39 1.87 0.00 60 Y 7.73 4.36 0.00 3.05 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.92 4.76 0.00 2.68 2.56 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 0.00 0.00 0.00 0.00 62 P 0.00 4.11 0.00 2.23 2.18 0.00 3.86 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 63 T 7.98 4.15 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 1.23 0.00 0.00 64 R 7.54 4.87 0.00 1.69 1.98 0.00 3.33 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 65 G 8.42 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 0.00 0.00 0.00 0.00 66 R 7.99 4.60 0.00 1.63 1.67 0.00 2.99 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.71 0.00 67 I 8.45 4.01 1.86 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.68 0.90 0.00 0.00 68 V 8.79 4.04 2.37 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 0.81 0.00 0.00 1.11 0.00 0.00 69 Y 8.08 4.24 0.00 2.85 2.87 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 70 R 8.47 4.31 0.00 1.92 1.96 0.00 3.19 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 71 K 8.63 4.53 0.00 1.90 1.81 0.00 1.72 0.00 0.00 2.40 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.42 7.81