NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2972 8.1233 122.4547 51.4930 21.0239 175.5147 2 D 4.4282 8.4588 119.2831 54.2018 40.3691 175.8580 3 C 4.5369 9.3121 124.7096 59.1069 36.0273 174.2135 4 A 4.6214 7.2437 117.2526 50.7611 22.2554 175.4165 5 K 4.7865 9.5150 122.2897 53.4937 34.8047 176.1670 6 G 3.8715 7.4877 113.2682 45.9251 0.0000 171.2006 7 K 4.8523 7.8917 117.6362 54.4088 33.3644 176.7130 8 I 4.1294 8.0886 122.4494 61.1479 37.4197 176.0129 9 E 4.3287 8.8158 126.4859 58.9829 29.5514 177.2731 10 F 5.2366 7.4582 112.5345 55.6314 41.5523 172.5953 11 S 5.3512 8.8090 113.3442 56.8186 66.6900 173.3109 12 K 4.3914 8.2061 121.6597 55.3807 35.6262 174.0005 13 Y 4.6858 8.7298 129.6417 57.0490 39.3713 174.7670 14 N 4.7078 8.5903 124.7810 52.0732 39.8390 176.0083 15 E 3.9930 8.7124 121.2743 59.3205 29.7126 177.3970 16 D 4.5228 7.8602 115.4352 53.0702 39.6377 176.3812 17 D 4.1206 7.8403 118.1645 55.0494 39.1164 173.9756 18 T 4.5868 7.8140 110.7932 61.1191 71.1620 173.2990 19 F 5.2577 9.4874 124.0091 56.8787 42.6099 173.3107 20 T 5.3378 8.6440 123.1986 62.1016 70.8737 174.0629 21 V 4.8842 9.1463 118.7250 59.3754 35.9579 174.3368 22 K 4.6334 8.4267 125.1328 54.6196 34.3238 175.1361 23 V 4.4768 8.2119 126.8355 61.6045 34.8605 174.7286 24 D 4.5166 9.6667 127.5848 55.4061 39.2986 173.9588 25 G 3.9384 8.1337 102.9718 45.6344 0.0000 172.8346 26 K 4.4600 7.7443 118.7253 54.3769 35.9286 175.2665 27 E 4.7431 8.9968 124.9707 55.7926 31.2667 175.1537 28 Y 5.4835 8.9678 120.3627 56.0877 42.9262 174.1973 29 W 5.8880 8.8014 117.5400 55.2206 31.8904 174.0458 30 T 4.6476 9.2832 115.8581 60.1743 70.5249 174.1010 31 S 4.7817 8.6619 118.6536 58.1013 63.6897 174.5907 32 R 4.0553 8.0344 122.2772 54.9825 28.8371 177.1074 33 W 4.3906 8.4795 122.5472 59.4919 27.9177 177.7389 34 N 4.2664 6.9412 115.9885 55.9405 38.1328 176.6652 35 L 4.1925 8.1285 120.7275 57.3418 41.6247 178.8673 36 Q 3.1422 7.7227 118.7455 58.3515 28.6251 177.1323 37 P 4.2153 0.0000 0.0000 65.9191 31.4596 178.3811 38 L 3.8810 7.7818 118.3301 57.4753 41.4356 179.2351 39 L 4.3111 8.0623 119.0910 57.5355 41.7180 178.9308 40 L 4.1271 8.1060 120.3938 58.4510 42.1067 179.2319 41 S 4.1217 8.1246 114.6715 61.7096 62.9394 176.6028 42 A 4.1104 8.0110 122.9903 54.9787 17.8170 179.6237 43 Q 3.9265 7.7076 117.2628 59.5100 29.3826 177.5870 44 L 4.1488 7.8432 118.8338 57.7241 41.8070 178.8737 45 T 4.4414 7.8171 106.4202 60.5286 69.6734 174.7623 46 G 3.8886 7.9437 109.2937 46.6126 0.0000 173.9295 47 M 4.2517 8.0100 118.1337 55.6108 33.6796 176.0574 48 T 4.6838 8.2164 118.6874 63.5049 69.8956 174.2835 49 V 4.7220 9.1867 120.0257 59.7421 35.4553 175.1232 50 T 4.5497 8.1359 119.5075 61.7883 71.4504 173.3804 51 I 3.7948 7.9224 128.4696 60.3916 38.1883 175.2455 52 K 4.8672 8.1876 127.2309 54.6569 33.8247 175.7651 53 S 4.5240 8.8201 118.5265 57.4364 65.3118 174.6218 54 S 4.3061 8.7456 119.6988 60.5111 63.0076 175.0151 55 T 4.6197 7.6016 109.2923 60.0981 70.8247 174.2554 56 C 4.7979 8.6283 122.2505 56.6289 35.6919 174.0451 57 E 4.1804 8.0241 119.5443 55.6568 29.8270 176.2478 58 S 3.7081 8.4808 116.6422 60.3327 62.6029 174.5050 59 G 4.0307 9.1771 116.8044 44.9436 0.0000 173.5522 60 S 4.7176 7.7598 114.7527 57.5240 65.1170 173.9294 61 G 2.8158 8.0683 107.8237 45.1312 0.0000 172.7038 62 F 4.9607 7.8765 114.4759 54.9268 41.2313 174.2537 63 A 4.3653 8.3823 119.4909 51.4016 20.4520 175.2496 64 E 4.9262 8.0927 118.5646 55.5394 33.2559 174.7182 65 V 4.7796 8.1740 123.4433 60.6715 34.3446 172.3602 66 Q 4.5322 8.3691 124.4122 54.2732 31.7743 173.8635 67 F 5.2698 8.7887 123.9630 55.8743 41.3795 174.6553 68 N 5.1637 8.8608 119.6836 51.7590 42.8104 175.1006 69 N 4.8082 8.9818 122.4233 53.5080 36.9506 175.2783 70 D 4.2110 9.0337 127.8491 55.9094 41.8759 175.1582 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 8.12 4.30 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 2 D 8.46 4.43 0.00 2.57 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 3 C 9.31 4.54 0.00 2.35 2.89 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 4 A 7.24 4.62 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 5 K 9.51 4.79 0.00 1.61 1.62 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.25 1.31 7.81 6 G 7.49 3.87 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 0.00 0.00 0.00 7 K 7.89 4.85 0.00 1.76 1.76 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.41 7.81 8 I 8.09 4.13 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.48 0.97 0.00 0.00 9 E 8.82 4.33 0.00 1.69 2.03 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 2.33 2.19 0.00 10 F 7.46 5.24 0.00 3.03 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.81 5.35 0.00 3.79 4.09 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 0.00 0.00 0.00 0.00 12 K 8.21 4.39 0.00 1.83 1.63 0.00 1.53 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.31 1.36 7.81 13 Y 8.73 4.69 0.00 3.29 2.97 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 14 N 8.59 4.71 0.00 2.86 2.59 0.00 0.00 6.20 7.17 0.00 0.00 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 E 8.71 3.99 0.00 1.92 1.96 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 2.30 2.34 0.00 16 D 7.86 4.52 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 4.12 0.00 2.90 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 18 T 7.81 4.59 4.49 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 1.03 0.00 0.00 19 F 9.49 5.26 0.00 3.20 3.09 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 0.00 0.00 0.00 0.00 20 T 8.64 5.34 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 1.41 0.00 0.00 21 V 9.15 4.88 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 0.93 0.00 0.00 1.03 0.00 0.00 22 K 8.43 4.63 0.00 0.79 0.74 0.00 1.25 0.00 0.00 1.29 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.06 1.05 7.81 23 V 8.21 4.48 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 0.85 0.00 0.00 0.86 0.00 0.00 24 D 9.67 4.52 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.13 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 26 K 7.74 4.46 0.00 1.71 1.36 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.60 7.81 27 E 9.00 4.74 0.00 1.77 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 2.15 2.21 0.00 28 Y 8.97 5.48 0.00 2.71 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 29 W 8.80 5.89 0.00 3.47 3.22 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 30 T 9.28 4.65 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 1.36 0.00 0.00 31 S 8.66 4.78 0.00 4.17 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 32 R 8.03 4.06 0.00 1.69 1.64 0.00 3.07 0.00 0.00 3.10 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 33 W 8.48 4.39 0.00 3.67 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 N 6.94 4.27 0.00 2.24 2.74 0.00 0.00 6.94 7.85 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 35 L 8.13 4.19 0.00 1.85 1.81 0.94 1.02 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 36 Q 7.72 3.14 0.00 2.02 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 1.95 2.41 0.00 37 P 0.00 4.22 0.00 2.23 2.29 0.00 3.88 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 2.04 2.06 0.00 38 L 7.78 3.88 0.00 1.84 1.45 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.06 4.31 0.00 2.00 2.03 1.37 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.11 4.13 0.00 1.88 1.73 1.11 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.12 4.12 0.00 4.03 3.87 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 42 A 8.01 4.11 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.71 3.93 0.00 2.25 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 44 L 7.84 4.15 0.00 1.86 1.77 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.82 4.44 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 1.26 0.00 0.00 46 G 7.94 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 0.00 0.00 0.00 47 M 8.01 4.25 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.75 0.00 48 T 8.22 4.68 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 1.18 0.00 0.00 49 V 9.19 4.72 1.76 0.00 0.00 0.00 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 0.81 0.00 0.00 50 T 8.14 4.55 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 1.07 0.00 0.00 51 I 7.92 3.79 1.17 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.46 -0.26 0.00 0.00 52 K 8.19 4.87 0.00 1.53 1.61 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.36 7.81 53 S 8.82 4.52 0.00 3.63 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.75 4.31 0.00 3.87 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 55 T 7.60 4.62 4.39 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 1.22 0.00 0.00 56 C 8.63 4.80 0.00 3.04 3.22 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 57 E 8.02 4.18 0.00 2.13 2.11 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 2.41 2.27 0.00 58 S 8.48 3.71 0.00 3.68 3.74 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 59 G 9.18 4.03 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 0.00 0.00 0.00 60 S 7.76 4.72 0.00 3.94 4.09 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 0.00 0.00 0.00 0.00 61 G 8.07 2.82 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 0.00 0.00 0.00 0.00 0.00 0.00 62 F 7.88 4.96 0.00 2.97 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 63 A 8.38 4.37 1.08 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 64 E 8.09 4.93 0.00 1.98 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 2.22 2.26 0.00 65 V 8.17 4.78 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 0.60 0.00 0.00 0.35 0.00 0.00 66 Q 8.37 4.53 0.00 2.01 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 67 F 8.79 5.27 0.00 2.94 2.97 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 68 N 8.86 5.16 0.00 2.71 2.67 0.00 0.00 6.72 6.94 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 69 N 8.98 4.81 0.00 2.73 2.16 0.00 0.00 6.81 8.06 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 70 D 9.03 4.21 0.00 2.61 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00