NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6680 8.4249 119.2043 53.6345 40.0888 174.0178 2 S 4.3971 8.3462 117.3736 59.0254 63.9611 168.7025 3 V 5.1248 7.3681 112.1802 59.8079 36.0737 174.4104 4 R 4.6348 8.4791 117.0700 55.4060 33.1586 173.3251 5 D 4.9523 8.2924 120.1631 53.3418 42.3591 175.7484 6 A 2.5800 6.6091 123.3687 50.9326 24.0521 174.1568 7 Y 4.8673 7.7999 115.9211 57.3357 38.8565 175.8925 8 I 4.2736 8.3936 124.8102 61.0513 38.9709 174.3727 9 A 5.1645 8.6049 128.9596 50.4229 22.9887 175.0248 10 D 4.7909 8.2804 119.1104 51.2997 41.4107 175.6448 11 P 4.3310 0.0000 0.0000 64.9738 31.3094 176.9487 12 H 4.5707 8.6079 115.5174 54.9015 28.6442 174.5750 13 N 4.3028 8.0763 117.6346 55.0649 37.6535 172.5721 14 C 4.8703 7.9256 112.6242 54.5673 42.8890 174.4675 15 V 4.3304 7.9481 116.7977 61.5366 32.8739 175.1427 16 Y 4.4907 8.5450 119.3920 56.5073 39.0005 175.7784 17 E 4.7135 8.8589 124.3223 56.6220 30.5131 175.4276 18 C 4.8299 8.4878 114.3294 54.0742 44.7565 173.5459 19 A 4.6677 8.4595 121.5833 51.9652 21.0399 176.7630 20 R 5.0203 7.6550 113.7050 53.8341 34.1313 176.1769 21 N 4.6457 9.1181 118.8448 56.5805 38.6037 177.5547 22 E 4.0382 8.3513 119.5928 59.5697 29.5350 178.4615 23 Y 4.1614 7.7748 118.0768 61.1816 38.7484 177.8354 24 C 4.0539 8.2035 116.8073 59.7402 41.0252 175.4135 25 N 4.3246 8.2765 118.8115 56.5369 38.5412 176.4977 26 D 4.1845 8.1395 119.4605 57.2100 41.3114 177.8238 27 L 3.6416 7.5713 120.7931 58.2495 41.9579 178.3762 28 C 4.1208 8.2011 116.8003 60.2785 37.5599 176.3130 29 T 4.1764 8.2694 113.0935 64.0183 68.1152 176.5098 30 K 4.1024 8.0170 120.5012 58.8379 32.6237 177.2949 31 N 4.6183 7.1800 115.9787 53.0115 38.4537 175.9671 32 G 3.8532 7.9472 107.9774 45.0557 0.0000 174.2747 33 A 4.7595 7.5897 122.2930 51.0626 19.2020 178.6181 34 K 4.0157 8.5997 119.5390 59.2898 32.4594 177.2852 35 S 4.6360 7.4590 111.2507 58.3742 65.8774 174.4109 36 G 4.4620 9.2243 105.8819 46.1588 0.0000 172.0802 37 Y 5.0684 8.1177 117.9050 55.6988 42.1488 172.7061 38 C 4.6321 9.2702 121.0136 55.8191 45.9326 172.5489 39 Q 4.7436 8.6341 125.5912 54.4237 29.7342 176.4553 40 W 4.5584 9.2306 123.4652 57.2594 30.1172 176.8252 41 V 4.5706 7.4198 110.8497 59.3951 35.2544 174.4469 42 G 4.0249 8.2626 110.4935 45.4024 0.0000 173.2888 43 K 3.7368 9.0998 119.6569 59.0701 31.9402 177.0275 44 Y 4.6814 7.9292 113.4899 57.3589 38.9087 177.4325 45 G 3.9020 7.9222 108.2102 44.6728 0.0000 172.9455 46 N 4.7413 8.9807 119.4087 53.1908 39.6145 176.1445 47 G 4.5437 8.3185 115.6332 46.2918 0.0000 170.9738 48 C 4.9382 8.5368 119.2284 56.3931 42.7844 172.5454 49 W 4.7765 8.8095 133.9230 55.6156 32.8297 173.6777 50 C 5.2385 8.2855 124.4500 55.1569 43.9845 172.7178 51 I 4.6017 8.5081 123.5302 59.9916 38.7106 175.9077 52 E 3.7548 9.2583 127.9432 57.2623 27.4815 174.2845 53 L 4.4490 8.0832 121.6084 53.6940 44.0407 175.3105 54 P 4.7750 0.0000 0.0000 62.6728 32.4850 176.4245 55 D 4.6904 8.8703 121.6978 54.2078 39.3261 176.5693 56 N 4.6470 8.1977 115.2238 53.0386 38.2021 174.6467 57 V 4.3353 7.1876 119.1649 60.2717 33.6925 173.4666 58 P 4.6251 0.0000 0.0000 62.7019 32.4551 175.1361 59 I 5.0271 7.9573 114.7124 58.7182 41.1644 174.7088 60 R 4.0981 8.7009 124.4055 56.4030 30.0997 176.2429 61 V 4.5199 8.4147 119.3177 58.2637 34.7513 173.7387 62 P 4.3549 0.0000 0.0000 63.7412 31.8786 176.3028 63 G 3.7294 8.0774 107.3780 44.1766 0.0000 172.7522 64 K 4.4682 8.2223 119.3578 54.8140 35.1679 176.0336 65 C 4.6504 8.7047 119.5833 55.3582 43.7155 173.0576 66 H 4.5092 8.5871 122.8112 55.6827 28.1205 173.4318 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 N 8.42 4.67 0.00 2.68 2.78 0.00 0.00 7.02 6.75 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 2 S 8.35 4.40 0.00 3.89 3.85 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 0.00 0.00 0.00 3 V 7.37 5.12 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 0.71 0.00 0.00 0.91 0.00 0.00 4 R 8.48 4.63 0.00 1.78 1.93 0.00 2.88 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.68 0.00 5 D 8.29 4.95 0.00 2.71 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.61 2.58 0.94 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 7 Y 7.80 4.87 0.00 2.88 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 8 I 8.39 4.27 1.72 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.84 0.78 0.00 0.00 9 A 8.60 5.16 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.28 4.79 0.00 2.82 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 1.88 2.07 0.00 3.59 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 1.98 2.07 0.00 12 H 8.61 4.57 0.00 3.20 3.21 0.00 5.73 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.08 4.30 0.00 2.86 2.75 0.00 0.00 6.99 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 14 C 7.93 4.87 0.00 3.03 2.78 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 0.00 0.00 0.00 0.00 15 V 7.95 4.33 2.19 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 0.32 0.00 0.00 0.91 0.00 0.00 16 Y 8.55 4.49 0.00 3.00 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 17 E 8.86 4.71 0.00 1.87 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 2.35 2.32 0.00 18 C 8.49 4.83 0.00 3.03 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.46 4.67 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.66 5.02 0.00 1.98 2.12 0.00 3.22 0.00 0.00 3.40 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 21 N 9.12 4.65 0.00 2.90 3.02 0.00 0.00 7.06 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 22 E 8.35 4.04 0.00 2.15 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 2.46 2.50 0.00 23 Y 7.77 4.16 0.00 3.10 3.21 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 24 C 8.20 4.05 0.00 3.17 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 25 N 8.28 4.32 0.00 2.97 2.81 0.00 0.00 6.82 7.82 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 26 D 8.14 4.18 0.00 2.79 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 27 L 7.57 3.64 0.00 1.15 1.34 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.20 4.12 0.00 2.91 2.98 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 29 T 8.27 4.18 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 1.28 0.00 0.00 30 K 8.02 4.10 0.00 1.88 1.92 0.00 1.46 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.52 1.36 7.81 31 N 7.18 4.62 0.00 2.84 2.77 0.00 0.00 7.27 7.53 0.00 0.00 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 G 7.95 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.59 4.76 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.60 4.02 0.00 1.76 1.88 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.73 7.81 35 S 7.46 4.64 0.00 4.02 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 36 G 9.22 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.12 5.07 0.00 3.28 3.07 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 38 C 9.27 4.63 0.00 2.90 2.46 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 0.00 0.00 0.00 0.00 39 Q 8.63 4.74 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.14 0.00 40 W 9.23 4.56 0.00 3.51 3.19 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 41 V 7.42 4.57 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 0.79 0.00 0.00 1.02 0.00 0.00 42 G 8.26 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 0.00 0.00 0.00 43 K 9.10 3.74 0.00 1.70 1.78 0.00 1.67 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.44 1.19 7.81 44 Y 7.93 4.68 0.00 2.25 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 45 G 7.92 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 46 N 8.98 4.74 0.00 2.81 2.80 0.00 0.00 6.66 7.98 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 47 G 8.32 4.54 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 0.00 0.00 0.00 48 C 8.54 4.94 0.00 2.93 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 49 W 8.81 4.78 0.00 2.77 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 0.00 0.00 0.00 50 C 8.29 5.24 0.00 2.54 2.73 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 51 I 8.51 4.60 1.91 0.00 0.00 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 1.39 1.11 0.97 0.00 0.00 52 E 9.26 3.75 0.00 2.09 1.94 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 2.23 2.23 0.00 53 L 8.08 4.45 0.00 1.58 1.51 0.80 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.78 0.00 2.21 1.93 0.00 3.70 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 55 D 8.87 4.69 0.00 2.64 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 56 N 8.20 4.65 0.00 2.82 2.94 0.00 0.00 5.94 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 57 V 7.19 4.34 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 0.76 0.00 0.00 0.92 0.00 0.00 58 P 0.00 4.63 0.00 2.33 1.93 0.00 3.59 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 2.11 2.07 0.00 59 I 7.96 5.03 1.88 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 1.19 0.64 0.81 0.00 0.00 60 R 8.70 4.10 0.00 1.63 1.74 0.00 3.05 0.00 0.00 2.88 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 61 V 8.41 4.52 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.97 0.00 0.00 62 P 0.00 4.35 0.00 2.08 2.09 0.00 3.71 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 2.11 2.25 0.00 63 G 8.08 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 64 K 8.22 4.47 0.00 1.83 1.79 0.00 1.58 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.42 7.81 65 C 8.70 4.65 0.00 2.81 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 66 H 8.59 4.51 0.00 3.17 3.20 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00