NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4782 0.0000 0.0000 62.3339 33.5955 174.8780 2 I 4.8122 8.3307 123.3626 59.0740 39.9274 173.0293 3 A 4.7798 9.4146 130.0388 49.9783 22.1672 174.4073 4 Q 4.9464 8.6913 122.7790 54.3246 31.5222 174.4219 5 I 4.4764 8.7808 127.8486 59.8390 39.9860 174.2610 6 H 5.2518 8.8265 124.5710 54.3956 29.7467 174.4240 7 I 4.6440 8.2661 116.4660 58.6131 41.3050 174.8726 8 L 4.6738 8.3277 123.0112 54.2834 42.2615 176.9481 9 E 4.2565 8.6317 120.8789 57.1612 29.9692 176.2638 10 G 3.7270 8.8186 108.0078 45.6640 0.0000 174.6364 11 R 4.3194 7.6756 119.1605 55.2758 31.4824 176.7785 12 S 4.5257 8.2782 116.0637 57.8045 65.5385 175.2094 13 D 4.3937 8.5069 121.6269 57.3473 40.4789 178.9852 14 E 3.9238 8.0787 118.7142 59.5454 29.5162 179.0583 15 Q 4.0122 7.7671 118.0960 59.1477 28.7987 179.3565 16 K 3.9692 7.9403 118.8262 59.2179 31.9429 179.1142 17 E 3.9731 8.1279 119.9483 59.4071 29.4358 179.0385 18 T 3.9141 8.0252 115.9955 66.2255 68.4883 176.4892 19 L 3.9235 8.1489 122.5647 58.4014 42.1658 179.1160 20 I 3.6707 7.7104 119.6241 64.2606 36.9772 178.5316 21 R 3.8641 7.8387 119.0977 59.3961 30.0459 178.1684 22 E 3.9457 8.3812 118.7518 59.6633 29.5315 179.7158 23 V 3.6256 7.9817 118.1288 66.0791 31.5543 178.2535 24 S 4.1716 7.8887 114.5523 61.4495 62.5204 176.5919 25 E 3.9255 8.4032 121.2226 59.2339 29.2223 178.9829 26 A 3.9627 7.9762 120.8248 55.3571 18.5336 179.8312 27 I 3.6439 7.8005 118.1221 64.5370 37.2548 178.6377 28 S 4.0868 8.0093 114.0041 61.2563 62.0745 176.0693 29 R 3.8383 8.7257 121.8892 59.7320 29.6996 178.5362 30 S 4.1509 8.0181 113.6382 61.0200 62.9788 175.8961 31 L 4.4679 7.6031 117.5346 53.1595 42.3845 175.6268 32 D 4.3318 7.6567 117.3885 55.2830 40.1519 172.8674 33 A 4.7844 7.4737 118.6018 48.9070 21.5728 175.7567 34 P 4.2969 0.0000 0.0000 62.5860 32.0897 176.9391 35 L 3.9163 8.9243 124.8943 58.5198 41.9127 178.8290 36 T 4.0747 7.8702 106.3993 63.4277 68.7642 174.7263 37 S 4.4340 8.0713 116.4541 58.9535 63.8634 174.5010 38 V 4.0835 7.4800 122.3771 62.8600 32.1966 175.4015 39 R 4.7065 8.9674 126.0142 54.3349 33.5011 174.4886 40 V 4.8866 8.5028 122.9699 61.0504 34.5348 174.4273 41 I 4.5320 8.9113 128.2189 59.6134 40.0240 174.3442 42 I 4.7460 8.3822 127.8155 60.0878 39.0982 175.3417 43 T 4.5091 8.7183 122.9613 61.7685 71.4995 173.0631 44 E 4.7756 8.8542 126.3594 56.0067 31.0030 175.9217 45 M 4.8384 8.7982 122.8818 53.1814 35.0598 175.7319 46 A 4.5224 8.5797 125.6371 51.7361 19.3252 178.6230 47 K 3.9596 8.5506 120.5000 59.1519 32.2553 178.3912 48 G 4.0807 7.9914 105.4966 45.6143 0.0000 173.5091 49 H 4.9592 8.5576 114.6992 54.9026 29.9825 173.4505 50 F 5.0923 8.2579 122.7244 56.2131 41.4187 173.7142 51 G 4.2132 8.3570 116.3470 43.5326 0.0000 172.2461 52 I 4.1267 8.0968 122.7791 60.0340 39.8818 176.1070 53 G 3.8824 9.5593 113.5988 46.5359 0.0000 174.1105 54 G 3.9282 8.7505 105.5956 44.9610 0.0000 173.7898 55 E 4.6848 7.6700 117.7743 53.6128 33.6604 175.1783 56 L 4.2823 8.4982 121.0802 55.1993 42.2915 178.5225 57 A 4.0325 8.9865 126.5789 55.0848 18.7239 180.0874 58 S 4.1323 8.1519 109.9153 61.3202 63.1593 175.2722 59 K 4.4167 7.8022 117.3715 56.1343 31.8172 177.4274 60 V 4.4669 7.4617 115.1056 61.1139 33.1698 174.5291 61 R 4.6617 7.7612 118.2501 54.2701 34.4306 174.9818 62 R 4.0673 8.6999 117.9219 57.1630 29.8993 175.9443 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 P 0.00 4.48 0.00 2.09 2.03 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 2 I 8.33 4.81 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 1.27 0.72 0.90 0.00 0.00 3 A 9.41 4.78 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 4.95 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.64 0.00 0.00 0.00 0.00 0.00 2.09 2.24 0.00 5 I 8.78 4.48 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.64 0.88 0.00 0.00 6 H 8.83 5.25 0.00 2.91 3.10 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.27 4.64 1.82 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 1.18 1.21 0.86 0.00 0.00 8 L 8.33 4.67 0.00 1.53 1.63 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.63 4.26 0.00 1.97 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 0.00 2.31 2.27 0.00 10 G 8.82 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.68 4.32 0.00 1.78 1.85 0.00 3.25 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 12 S 8.28 4.53 0.00 3.99 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 13 D 8.51 4.39 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.08 3.92 0.00 2.05 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 2.40 2.46 0.00 15 Q 7.77 4.01 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 16 K 7.94 3.97 0.00 1.92 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.67 7.81 17 E 8.13 3.97 0.00 2.29 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 2.30 2.34 0.00 18 T 8.03 3.91 4.40 0.00 0.00 0.00 0.00 0.00 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 19 L 8.15 3.92 0.00 1.81 1.84 0.91 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.71 3.67 2.00 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 1.39 0.89 0.90 0.00 0.00 21 R 7.84 3.86 0.00 1.85 1.90 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.38 3.95 0.00 2.03 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 2.48 2.47 0.00 23 V 7.98 3.63 2.23 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 1.02 0.00 0.00 0.95 0.00 0.00 24 S 7.89 4.17 0.00 4.15 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.40 3.93 0.00 2.09 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 2.47 2.47 0.00 26 A 7.98 3.96 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 27 I 7.80 3.64 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 1.40 1.08 0.91 0.00 0.00 28 S 8.01 4.09 0.00 3.91 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 29 R 8.73 3.84 0.00 2.13 1.90 0.00 3.16 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 30 S 8.02 4.15 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 31 L 7.60 4.47 0.00 1.63 1.68 0.92 0.91 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 32 D 7.66 4.33 0.00 2.72 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 33 A 7.47 4.78 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 34 P 0.00 4.30 0.00 2.23 2.21 0.00 3.73 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 2.07 1.96 0.00 35 L 8.92 3.92 0.00 1.73 1.73 0.92 0.76 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 36 T 7.87 4.07 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 37 S 8.07 4.43 0.00 3.96 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 38 V 7.48 4.08 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 0.75 0.00 0.00 0.93 0.00 0.00 39 R 8.97 4.71 0.00 1.80 1.76 0.00 3.16 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 40 V 8.50 4.89 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.91 4.53 1.84 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 1.21 0.63 0.87 0.00 0.00 42 I 8.38 4.75 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.51 0.87 0.00 0.00 43 T 8.72 4.51 3.96 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 0.00 0.00 1.20 0.00 0.00 44 E 8.85 4.78 0.00 1.84 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 2.26 2.31 0.00 45 M 8.80 4.84 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 46 A 8.58 4.52 1.11 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 0.00 0.00 47 K 8.55 3.96 0.00 1.79 1.95 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.45 7.81 48 G 7.99 4.08 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 0.00 0.00 0.00 49 H 8.56 4.96 0.00 3.40 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.26 5.09 0.00 2.97 2.93 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 51 G 8.36 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 0.00 0.00 0.00 0.00 52 I 8.10 4.13 1.68 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.21 0.83 0.00 0.00 53 G 9.56 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.75 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 55 E 7.67 4.68 0.00 1.95 1.74 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 2.18 2.21 0.00 56 L 8.50 4.28 0.00 1.69 1.62 0.93 1.09 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 57 A 8.99 4.03 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.15 4.13 0.00 4.01 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.80 4.42 0.00 1.78 1.87 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.36 7.81 60 V 7.46 4.47 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 0.72 0.00 0.00 0.91 0.00 0.00 61 R 7.76 4.66 0.00 1.92 1.86 0.00 3.23 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 62 R 8.70 4.07 0.00 1.78 1.86 0.00 3.44 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00