NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6842 8.2833 119.2046 53.3576 41.0710 175.8357 4 L 4.2147 7.6528 116.7360 55.6029 41.9171 177.2847 5 N 4.3466 8.2430 117.2251 56.1612 38.9256 176.6358 6 Q 3.9124 7.9264 120.3969 59.2574 29.3485 177.6683 7 I 3.6653 7.2692 119.6515 64.6790 37.1462 178.1718 8 Q 3.9479 8.2187 120.1411 58.8743 28.9777 178.2216 9 K 3.9222 8.1294 120.6931 59.4707 32.2166 178.5737 10 E 3.9431 8.3674 119.0844 59.5275 29.4624 179.5595 11 V 3.5662 7.9079 118.1112 66.2201 31.5543 178.0770 12 S 4.1400 8.2210 114.8879 61.7335 62.5217 176.3605 13 E 4.1022 8.0893 121.3862 58.8447 29.3227 178.9278 14 I 3.7478 7.9564 120.5106 64.1188 37.1801 178.3166 15 L 3.9752 8.0167 120.0237 57.9360 41.0297 179.6876 16 S 4.1713 8.4482 114.5094 61.5484 62.6777 176.3732 17 D 4.3991 7.8103 123.8429 56.6188 40.6577 178.3241 18 Q 4.0194 8.1411 118.6160 59.1096 28.6919 179.0986 19 K 3.9086 8.1380 120.4510 59.8347 32.2390 178.9328 20 S 4.1494 7.8321 113.3071 61.5350 62.8797 176.1052 21 M 4.0953 8.6145 122.5856 58.2407 31.7563 178.4311 22 K 3.8324 8.6684 118.6544 59.9197 32.3218 178.9773 23 A 4.0106 7.9988 120.4177 55.2334 18.2260 179.5074 24 D 4.2910 7.8592 117.4024 57.4547 40.9605 178.8880 25 I 3.6729 7.7539 120.3437 64.2670 37.0442 177.9294 26 K 3.7643 8.1699 120.1142 59.8433 31.9648 178.1757 27 A 3.9755 8.1621 120.5632 55.5237 18.2418 179.7728 28 I 3.6749 8.1885 118.3244 64.6124 37.2537 178.7735 29 L 4.0453 8.5711 120.0704 57.3904 41.1609 179.3202 30 E 3.9071 8.4183 119.8014 59.1008 29.4136 178.2264 31 L 3.9990 7.6618 119.0250 58.3380 42.2487 178.5909 32 L 4.2346 7.9267 117.9626 57.8451 41.7760 179.7492 33 G 3.7961 8.1084 104.0891 46.4980 0.0000 174.7682 34 S 4.7710 7.4203 115.3264 57.1024 63.9645 173.5727 35 Q 4.6319 7.2784 118.5023 54.2146 31.2788 174.6735 36 N 4.2797 8.7894 117.0882 53.2698 39.4501 173.7551 37 P 4.3515 0.0000 0.0000 63.0160 33.5702 177.6799 38 I 3.7265 8.2868 121.1845 64.6631 36.9054 179.0322 39 K 4.0306 7.9464 117.7893 59.1106 32.0399 178.7109 40 E 4.0599 8.0664 119.2203 59.6079 29.3995 179.0198 41 S 4.1636 7.9783 114.7991 61.4460 62.7905 176.7010 42 L 4.0745 7.9023 121.4379 57.3803 41.2175 179.3575 43 E 3.9742 7.9894 119.2893 59.5126 29.4199 179.3588 44 T 3.8451 7.8130 109.4170 64.7020 68.8157 176.5121 45 V 3.5034 7.5246 120.5028 65.5471 31.6219 177.5222 46 A 3.9435 8.0954 120.2461 55.3192 18.2474 179.1136 47 A 3.9185 8.1730 119.1446 55.3438 18.3452 179.3414 48 K 3.7521 8.3745 118.2856 60.0511 32.0796 178.5994 49 I 3.6526 7.9147 119.6011 64.3831 37.0069 178.3484 50 V 3.5571 7.7759 118.7516 66.3126 31.3204 177.5518 51 N 4.1530 8.2099 116.4505 56.9244 37.7314 176.5158 52 D 4.3921 8.5803 120.6535 57.1207 40.8737 178.5653 53 L 4.4040 8.1093 119.5182 57.4106 41.7955 179.1619 54 T 3.8611 8.6875 116.6907 66.6947 68.2095 176.2606 55 K 3.8480 7.6169 119.6755 59.3538 32.1887 178.3013 56 L 4.1118 7.4322 120.7727 58.0602 42.0620 178.6924 57 I 3.7420 7.7167 119.6213 64.7340 36.9347 178.2419 58 N 4.3554 8.2249 115.8440 56.0923 38.3781 176.2374 59 D 4.6115 7.5537 117.9134 53.2948 42.3132 176.4659 60 C 4.2428 7.9818 115.0617 60.6114 25.7790 171.2174 61 P 4.3882 0.0000 0.0000 65.3852 31.9667 178.3451 62 C 4.4105 7.9377 113.6761 60.7184 28.2872 175.2084 63 N 4.4442 7.9642 118.8733 55.8703 38.1619 176.9375 64 K 3.9761 7.9942 120.9453 59.1626 32.4619 178.3355 65 E 3.9240 8.1201 119.3575 59.1890 29.5732 178.6762 66 I 3.6729 7.3608 119.0192 64.5305 37.2694 178.3282 67 L 4.0155 8.2673 120.0418 57.8754 40.9176 179.6640 68 E 4.1437 8.6652 119.6576 58.9773 29.2391 179.3169 69 A 3.8099 7.6272 119.2125 54.9142 18.4747 179.0858 70 L 4.0886 8.4297 118.8009 58.1953 42.2838 176.5783 71 G 3.3830 7.3331 106.6522 44.9980 0.0000 174.5694 72 T 3.8593 7.4348 111.5581 64.9037 68.8792 174.2470 73 Q 4.1559 7.8731 125.1436 55.1684 28.9170 175.9881 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 3 N 8.28 4.68 0.00 2.74 2.88 0.00 0.00 7.06 5.78 0.00 0.00 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 L 7.65 4.21 0.00 1.81 1.68 0.92 0.44 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 5 N 8.24 4.35 0.00 2.76 2.86 0.00 0.00 6.79 7.59 0.00 0.00 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 Q 7.93 3.91 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 7 I 7.27 3.67 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 1.41 0.65 0.91 0.00 0.00 8 Q 8.22 3.95 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 9 K 8.13 3.92 0.00 1.95 1.93 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 10 E 8.37 3.94 0.00 2.04 1.98 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 2.33 2.47 0.00 11 V 7.91 3.57 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.99 0.00 0.00 12 S 8.22 4.14 0.00 4.05 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 13 E 8.09 4.10 0.00 2.17 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 2.30 2.34 0.00 14 I 7.96 3.75 2.03 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 1.52 0.67 0.91 0.00 0.00 15 L 8.02 3.98 0.00 1.89 1.71 0.92 0.60 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 16 S 8.45 4.17 0.00 4.01 4.35 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 0.00 0.00 0.00 0.00 17 D 7.81 4.40 0.00 2.96 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.14 4.02 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 19 K 8.14 3.91 0.00 1.99 1.96 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 20 S 7.83 4.15 0.00 4.12 4.11 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 21 M 8.61 4.10 0.00 2.02 2.35 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.59 0.00 22 K 8.67 3.83 0.00 2.07 1.90 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.50 7.81 23 A 8.00 4.01 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 24 D 7.86 4.29 0.00 2.79 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 25 I 7.75 3.67 1.99 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 1.41 0.70 0.91 0.00 0.00 26 K 8.17 3.76 0.00 1.89 2.01 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 27 A 8.16 3.98 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 28 I 8.19 3.67 1.99 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 1.52 0.88 0.91 0.00 0.00 29 L 8.57 4.05 0.00 1.89 1.71 0.92 0.84 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 30 E 8.42 3.91 0.00 2.03 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 0.00 2.30 2.31 0.00 31 L 7.66 4.00 0.00 1.75 1.91 0.92 1.02 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 32 L 7.93 4.23 0.00 1.67 1.72 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.11 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 0.00 0.00 0.00 34 S 7.42 4.77 0.00 4.00 3.99 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 35 Q 7.28 4.63 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 36 N 8.79 4.28 0.00 2.73 2.82 0.00 0.00 6.97 8.02 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 37 P 0.00 4.35 0.00 2.15 1.99 0.00 3.80 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 2.12 2.20 0.00 38 I 8.29 3.73 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 1.64 1.10 0.91 0.00 0.00 39 K 7.95 4.03 0.00 1.72 1.87 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.49 7.81 40 E 8.07 4.06 0.00 2.03 2.01 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 2.37 2.40 0.00 41 S 7.98 4.16 0.00 3.94 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 42 L 7.90 4.07 0.00 1.81 1.71 0.94 0.66 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 43 E 7.99 3.97 0.00 2.22 1.99 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 2.33 2.31 0.00 44 T 7.81 3.85 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 45 V 7.52 3.50 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 1.07 0.00 0.00 0.99 0.00 0.00 46 A 8.10 3.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 3.92 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 48 K 8.37 3.75 0.00 2.02 1.99 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.51 7.81 49 I 7.91 3.65 2.02 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 1.41 0.56 0.91 0.00 0.00 50 V 7.78 3.56 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 0.99 0.00 0.00 0.98 0.00 0.00 51 N 8.21 4.15 0.00 2.89 2.96 0.00 0.00 7.32 7.78 0.00 0.00 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 D 8.58 4.39 0.00 3.02 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 53 L 8.11 4.40 0.00 1.68 1.70 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.69 3.86 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 55 K 7.62 3.85 0.00 1.87 1.99 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 56 L 7.43 4.11 0.00 1.98 1.63 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.72 3.74 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 1.52 0.61 0.91 0.00 0.00 58 N 8.22 4.36 0.00 2.83 2.89 0.00 0.00 7.20 8.77 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 59 D 7.55 4.61 0.00 2.93 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 60 C 7.98 4.24 0.00 3.01 2.90 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 61 P 0.00 4.39 0.00 2.04 2.10 0.00 3.67 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 2.02 2.10 0.00 62 C 7.94 4.41 0.00 2.96 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 63 N 7.96 4.44 0.00 2.96 2.86 0.00 0.00 6.76 7.68 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 64 K 7.99 3.98 0.00 1.82 1.79 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.49 7.81 65 E 8.12 3.92 0.00 2.07 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 2.38 2.40 0.00 66 I 7.36 3.67 2.02 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 1.52 0.59 0.91 0.00 0.00 67 L 8.27 4.02 0.00 1.66 1.73 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.67 4.14 0.00 2.26 1.99 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 2.33 2.28 0.00 69 A 7.63 3.81 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 70 L 8.43 4.09 0.00 1.65 1.94 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.33 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.43 3.86 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 73 Q 7.87 4.16 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00