NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8406 8.3501 109.7333 44.9759 0.0000 173.3985 3 A 4.2432 7.9015 121.5444 50.5295 19.5182 175.7634 4 Q 4.4234 9.6116 124.2132 54.2541 31.8264 172.7455 5 V 4.5573 8.3569 126.6389 61.5177 33.1822 174.6202 6 S 4.7962 7.9490 123.9614 56.6246 66.3961 173.1866 7 S 5.2844 8.3810 115.2397 57.0780 64.8825 173.9141 8 Q 4.4706 9.0619 121.4017 55.1998 30.2941 176.2148 9 K 4.2219 8.3776 122.8955 54.4394 31.3177 175.4006 10 V 3.5047 8.1208 125.2961 62.5867 31.4482 174.8742 11 G 3.5229 8.0346 118.4664 46.8706 0.0000 172.9068 12 A 4.2084 7.9124 121.6441 51.1468 19.9428 176.8733 13 H 4.5894 8.5532 120.4583 53.9389 30.3900 174.8947 14 E 4.2529 8.3397 124.5965 55.7445 30.8512 176.2879 15 N 4.8925 8.3997 120.1094 53.0673 37.5902 174.8045 16 S 4.8730 7.4989 114.0433 56.8758 67.7210 175.5380 17 N 4.7623 8.6684 118.6055 55.4528 38.8164 177.9255 18 R 4.0183 8.0301 116.1243 58.6007 30.2894 177.3137 19 A 4.1330 7.5575 119.2593 53.3275 18.6311 177.2474 20 Y 4.6381 7.6670 111.5273 57.6653 39.9345 175.1361 21 G 3.9362 8.1055 106.5075 45.5977 0.0000 172.8620 22 G 3.9035 8.5557 108.1767 44.6089 0.0000 174.3197 23 S 4.3478 8.3502 113.1696 60.5665 62.8415 176.4605 24 T 4.1279 7.8992 110.0378 63.2394 68.8902 174.7984 25 I 4.5212 7.8223 115.5505 60.4734 37.9263 174.5034 26 N 5.5075 7.9636 117.2979 52.1555 41.7716 173.2758 27 Y 5.0177 8.7985 117.2653 55.7809 41.7386 174.1480 28 T 5.0585 8.6718 117.2111 62.3113 71.2732 173.8860 29 T 4.7889 8.9362 121.1171 61.9857 72.9884 173.1351 30 I 4.7234 7.9169 124.8058 59.6963 41.0200 174.5593 31 N 4.3399 8.6263 124.6125 52.9777 39.2517 174.6428 32 Y 4.5615 8.1933 118.9514 58.0312 39.4092 175.2143 33 Y 4.8463 7.6293 116.6446 55.7976 40.6341 175.8361 34 R 4.0619 8.7193 123.1905 59.1302 30.8407 176.8149 35 D 4.6920 8.0617 118.5830 53.2835 41.7738 177.4844 36 S 4.2003 8.7662 118.3752 60.8576 63.3020 176.3250 37 A 4.0450 7.9405 123.3550 55.0738 18.2662 178.7391 38 S 4.1222 7.8309 111.1020 60.8697 63.1135 174.8279 39 N 4.4456 7.5323 116.7417 53.0630 38.7102 174.6277 40 A 4.3512 8.2076 123.5277 51.0885 20.2950 176.4173 41 A 4.5018 8.1529 122.0191 51.1259 19.7929 178.0799 42 S 4.1696 8.6587 117.8196 59.6116 63.4100 175.5580 43 K 4.3683 7.9702 116.0793 57.0479 29.5402 176.9398 44 Q 4.4070 7.4337 119.6309 54.4892 27.4242 174.5235 45 D 4.4060 7.4718 119.8457 52.4473 42.8619 177.1535 46 F 4.8947 7.3112 118.4020 56.1790 39.2679 173.8104 47 A 4.9292 8.2558 123.8865 50.8670 21.4863 174.3870 48 Q 4.5096 8.0109 114.9360 55.4493 31.0989 172.9484 49 D 4.5702 8.4245 117.5184 53.4054 41.8618 174.8598 50 P 4.5302 0.0000 0.0000 63.8130 31.4988 178.2401 51 S 4.2531 7.9516 116.9616 60.9860 62.5683 176.7187 52 K 3.7450 7.8084 119.4263 58.8999 32.0864 177.8239 53 F 4.8811 7.9282 117.8202 59.3116 40.3231 177.0436 54 T 4.1671 7.9341 108.1551 64.2475 69.6079 174.2382 55 E 4.9711 8.1372 120.5698 54.4402 30.4747 173.5558 56 P 4.5872 0.0000 0.0000 62.8037 32.1612 177.3892 57 I 4.1932 7.4266 118.8763 61.3435 38.5438 176.4464 58 K 3.9102 8.7205 126.2895 59.3927 32.2480 177.2214 59 D 4.6190 7.7308 123.3736 52.2043 40.1892 176.2208 60 V 3.5694 8.2304 123.4319 63.4032 31.8477 175.3473 61 L 4.8460 8.2534 125.5649 52.8793 44.8319 175.8906 62 I 4.2832 8.0106 122.6826 59.8335 38.3660 177.2969 63 K 4.0066 8.6860 124.1664 60.0794 32.6549 178.4574 64 T 3.9414 7.8927 108.6513 63.9363 69.0878 174.7744 65 A 4.3102 7.4165 123.8353 50.2571 19.3630 175.2468 66 P 4.3257 0.0000 0.0000 63.0520 31.9150 177.0007 67 T 3.8813 8.7275 120.5531 66.3592 68.5633 174.7038 68 L 4.3882 7.7152 122.8681 53.5361 41.6178 176.1840 69 N 4.5602 8.5197 121.5409 53.5786 39.2049 173.8656 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 2 G 8.35 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 7.90 4.24 1.23 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 0.00 0.00 0.00 4 Q 9.61 4.42 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 5 V 8.36 4.56 2.00 0.00 0.00 0.00 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 0.87 0.00 0.00 6 S 7.95 4.80 0.00 2.72 3.54 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 7 S 8.38 5.28 0.00 3.89 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 8 Q 9.06 4.47 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 9 K 8.38 4.22 0.00 1.71 1.74 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.36 7.81 10 V 8.12 3.50 1.92 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 0.44 0.00 0.00 0.85 0.00 0.00 11 G 8.03 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.91 4.21 1.22 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 13 H 8.55 4.59 0.00 3.08 2.96 0.00 5.90 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 14 E 8.34 4.25 0.00 1.90 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 15 N 8.40 4.89 0.00 2.79 2.84 0.00 0.00 6.71 7.57 0.00 0.00 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 S 7.50 4.87 0.00 3.86 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.67 4.76 0.00 2.81 2.92 0.00 0.00 6.87 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 18 R 8.03 4.02 0.00 1.81 2.01 0.00 3.29 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 19 A 7.56 4.13 1.04 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 0.00 0.00 20 Y 7.67 4.64 0.00 3.12 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 21 G 8.11 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.56 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.35 4.35 0.00 3.91 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 24 T 7.90 4.13 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 1.22 0.00 0.00 25 I 7.82 4.52 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.28 0.98 0.00 0.00 26 N 7.96 5.51 0.00 2.89 2.75 0.00 0.00 6.61 7.54 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 27 Y 8.80 5.02 0.00 2.88 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.67 5.06 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 1.19 0.00 0.00 29 T 8.94 4.79 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 1.20 0.00 0.00 30 I 7.92 4.72 1.64 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 1.29 0.52 0.79 0.00 0.00 31 N 8.63 4.34 0.00 2.63 2.71 0.00 0.00 7.01 7.46 0.00 0.00 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 Y 8.19 4.56 0.00 2.43 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.63 4.85 0.00 2.97 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 34 R 8.72 4.06 0.00 1.82 2.02 0.00 3.25 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 1.64 1.68 0.00 35 D 8.06 4.69 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.77 4.20 0.00 4.01 4.14 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 0.00 0.00 0.00 0.00 37 A 7.94 4.05 1.28 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 0.00 0.00 0.00 38 S 7.83 4.12 0.00 4.01 3.41 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 39 N 7.53 4.45 0.00 2.84 2.76 0.00 0.00 6.93 8.23 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 40 A 8.21 4.35 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 41 A 8.15 4.50 1.22 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 42 S 8.66 4.17 0.00 4.02 4.02 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 43 K 7.97 4.37 0.00 1.92 1.96 0.00 1.74 0.00 0.00 2.61 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.55 7.81 44 Q 7.43 4.41 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 45 D 7.47 4.41 0.00 2.59 2.34 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 0.00 46 F 7.31 4.89 0.00 3.06 3.11 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 0.00 0.00 0.00 0.00 47 A 8.26 4.93 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 48 Q 8.01 4.51 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 49 D 8.42 4.57 0.00 2.77 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.53 0.00 2.29 2.20 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 51 S 7.95 4.25 0.00 3.81 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 52 K 7.81 3.74 0.00 1.45 1.64 0.00 0.84 0.00 0.00 1.17 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.71 0.21 7.81 53 F 7.93 4.88 0.00 3.10 3.03 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 0.00 0.00 0.00 54 T 7.93 4.17 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 1.34 0.00 0.00 55 E 8.14 4.97 0.00 1.90 1.87 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 2.25 2.25 0.00 56 P 0.00 4.59 0.00 2.17 2.32 0.00 3.77 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 2.00 2.01 0.00 57 I 7.43 4.19 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 1.30 0.84 0.97 0.00 0.00 58 K 8.72 3.91 0.00 1.71 1.82 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.45 7.81 59 D 7.73 4.62 0.00 2.70 2.63 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 60 V 8.23 3.57 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 61 L 8.25 4.85 0.00 1.63 1.51 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.01 4.28 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 1.47 1.08 0.93 0.00 0.00 63 K 8.69 4.01 0.00 1.86 1.95 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.44 7.81 64 T 7.89 3.94 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 65 A 7.42 4.31 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 66 P 0.00 4.33 0.00 2.05 2.02 0.00 3.69 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 2.03 2.11 0.00 67 T 8.73 3.88 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 68 L 7.72 4.39 0.00 1.63 1.63 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.52 4.56 0.00 2.61 2.62 0.00 0.00 7.08 7.56 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