NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 M 4.3822 8.3044 120.3463 55.0177 33.0354 174.7097 21 K 3.8884 8.4579 128.1191 54.6664 32.9789 174.7385 22 T 4.3974 8.7390 113.8045 60.8393 71.0436 172.4043 23 E 4.9864 6.8868 119.7418 55.0064 34.0478 175.3386 24 W 5.0965 9.1409 120.7598 54.0287 29.7331 174.3953 25 P 4.3411 0.0000 0.0000 65.5707 31.2450 179.2722 26 E 4.1277 8.2511 115.3701 58.2840 29.8102 177.1885 27 L 4.4539 8.0682 119.2500 54.4466 42.0906 176.4278 28 V 3.8721 7.5054 120.3700 64.2208 31.7104 176.3683 29 G 3.9895 9.1786 116.3506 45.1599 0.0000 173.6454 30 K 4.2880 7.8195 119.2031 55.2824 33.4463 176.4273 31 A 4.6594 8.0988 123.6956 50.9973 20.3783 178.9371 32 V 3.4645 7.7281 121.0907 66.1473 31.2618 178.4325 33 A 3.9187 8.0417 119.5380 55.2849 18.2428 179.2759 34 A 3.9535 7.9525 118.3005 55.1291 18.5300 179.4434 35 A 3.9556 7.9926 119.1720 55.3992 18.4598 179.8423 36 K 3.6789 8.0939 117.0696 59.5446 31.8574 179.2866 37 K 3.8346 7.3623 117.5040 59.5196 32.2686 178.7296 38 V 3.7267 7.3261 116.9534 65.9012 31.4259 178.0432 39 I 2.9256 7.4416 119.5080 64.1919 36.9412 178.4232 40 L 3.8096 8.1348 119.5826 57.2562 41.0954 179.5894 41 Q 4.0318 7.4862 117.7122 58.9267 28.7823 177.7511 42 D 4.8113 7.9569 118.4807 55.6527 42.5197 176.5491 43 K 4.5971 8.7612 121.5798 52.9047 32.2989 174.0138 44 P 4.6751 0.0000 0.0000 64.2181 31.3280 177.7726 45 E 4.5372 7.9112 115.8602 55.7729 29.8809 175.6690 46 A 4.2525 7.6936 120.8796 52.2098 19.4959 178.2935 47 Q 4.2455 9.2956 123.4983 55.1088 30.0792 174.3979 48 I 5.2573 8.0673 127.8605 59.0826 38.7864 175.3651 49 I 4.4929 8.1945 127.4481 59.2929 40.4713 174.5184 50 V 4.6713 8.2110 125.1474 61.1456 33.4459 174.6684 51 L 4.9747 8.5899 126.8581 51.9428 46.5655 174.1206 52 P 4.9266 0.0000 0.0000 62.4823 32.5419 176.2664 53 V 4.0281 8.6609 123.3499 63.4764 31.7305 176.5727 54 G 3.9813 8.7595 110.9126 45.5075 0.0000 174.0277 55 T 3.9838 7.3768 116.4658 63.5778 68.8742 174.0487 56 I 3.9638 8.3314 127.3897 61.1593 37.7216 175.7014 57 V 4.5359 8.1577 117.6609 59.4985 34.9287 174.9883 58 T 4.3646 8.2620 114.1135 61.6847 70.0395 175.2492 59 M 4.4179 8.3813 118.1110 54.5547 31.7674 175.2924 60 E 4.1211 8.0324 116.4702 57.6126 30.1844 175.6614 61 Y 4.4360 8.5159 122.3473 56.0784 39.9031 175.1367 62 R 4.2926 7.4755 126.5388 54.0032 31.3952 176.3164 63 I 3.5433 8.0310 124.2820 63.1177 38.4607 176.5884 64 D 4.4917 7.9265 119.0790 54.7649 40.2614 175.7563 65 R 4.8837 7.4989 120.7837 55.1298 32.5654 175.7377 66 V 4.8479 8.4519 123.9033 61.5182 34.4735 174.0648 67 R 4.6354 8.6412 127.3815 55.1480 31.5364 176.1223 68 L 4.5110 8.8028 123.9888 53.1000 43.9955 175.5747 69 F 5.0198 8.7333 123.8876 56.5478 40.3759 175.5555 70 V 5.0334 8.8755 117.8070 59.5817 35.2672 175.5830 71 D 4.9048 8.6956 123.3326 52.0775 41.7468 177.1635 72 K 4.0646 8.7887 116.7758 58.5755 31.9921 177.8279 73 L 4.3905 8.1602 117.8274 53.9250 41.7574 175.9152 74 D 4.5129 8.3449 118.1136 55.3134 39.7867 172.6683 75 N 5.2938 8.0172 113.1381 50.4716 41.0589 174.5257 76 I 4.0460 8.9029 122.4147 62.0379 37.3727 176.8119 77 A 4.7116 9.1696 128.1309 52.3783 20.2172 176.3797 78 Q 4.5928 7.7154 112.7415 53.5134 32.9049 174.7178 79 V 3.7813 8.4109 120.2492 62.8817 32.0643 174.0074 80 P 4.7372 0.0000 0.0000 63.5291 32.3867 176.2966 81 R 5.4474 8.5506 122.7072 55.1555 33.6639 172.8236 82 V 4.0160 8.9621 122.2214 61.7699 32.3123 176.4893 83 G 3.3706 8.4778 116.1592 46.1049 0.0000 171.9895 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 20 M 8.30 4.38 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 21 K 8.46 3.89 0.00 1.66 1.57 0.00 1.63 0.00 0.00 1.94 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.90 0.64 7.81 22 T 8.74 4.40 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 1.20 0.00 0.00 23 E 6.89 4.99 0.00 1.74 1.78 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 2.17 2.20 0.00 24 W 9.14 5.10 0.00 3.36 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 25 P 0.00 4.34 0.00 2.24 2.35 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 26 E 8.25 4.13 0.00 2.15 2.18 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 2.40 2.37 0.00 27 L 8.07 4.45 0.00 1.93 1.75 0.84 0.63 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 28 V 7.51 3.87 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.98 0.00 0.00 29 G 9.18 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 0.00 0.00 0.00 30 K 7.82 4.29 0.00 1.93 1.73 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.54 7.81 31 A 8.10 4.66 1.26 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 0.00 0.00 32 V 7.73 3.46 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 1.02 0.00 0.00 0.94 0.00 0.00 33 A 8.04 3.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.95 3.95 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 35 A 7.99 3.96 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 36 K 8.09 3.68 0.00 1.72 1.79 0.00 1.62 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.61 7.81 37 K 7.36 3.83 0.00 1.91 1.93 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.58 7.81 38 V 7.33 3.73 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 1.04 0.00 0.00 0.98 0.00 0.00 39 I 7.44 2.93 1.44 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.13 0.27 0.00 0.00 40 L 8.13 3.81 0.00 1.66 1.67 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.49 4.03 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.99 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 42 D 7.96 4.81 0.00 3.18 3.10 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 0.00 0.00 0.00 43 K 8.76 4.60 0.00 1.88 1.81 0.00 1.89 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.36 1.43 7.81 44 P 0.00 4.68 0.00 2.21 2.19 0.00 3.44 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 45 E 7.91 4.54 0.00 1.97 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 2.23 2.28 0.00 46 A 7.69 4.25 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 47 Q 9.30 4.25 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 48 I 8.07 5.26 1.78 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.71 0.79 0.00 0.00 49 I 8.19 4.49 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.81 0.80 0.00 0.00 50 V 8.21 4.67 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 0.80 0.00 0.00 0.85 0.00 0.00 51 L 8.59 4.97 0.00 1.23 1.48 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.93 0.00 2.24 2.21 0.00 3.48 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 53 V 8.66 4.03 2.20 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 0.76 0.00 0.00 0.93 0.00 0.00 54 G 8.76 3.98 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 0.00 0.00 0.00 55 T 7.38 3.98 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 1.29 0.00 0.00 56 I 8.33 3.96 1.89 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 1.43 0.75 0.92 0.00 0.00 57 V 8.16 4.54 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 0.99 0.00 0.00 1.04 0.00 0.00 58 T 8.26 4.36 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 1.23 0.00 0.00 59 M 8.38 4.42 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.09 0.00 60 E 8.03 4.12 0.00 2.09 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 2.30 2.39 0.00 61 Y 8.52 4.44 0.00 2.96 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 62 R 7.48 4.29 0.00 1.69 1.86 0.00 3.31 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 63 I 8.03 3.54 1.94 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 0.93 0.00 0.00 64 D 7.93 4.49 0.00 2.84 2.88 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 65 R 7.50 4.88 0.00 1.87 1.96 0.00 2.98 0.00 0.00 3.04 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 66 V 8.45 4.85 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 0.82 0.00 0.00 0.98 0.00 0.00 67 R 8.64 4.64 0.00 1.53 1.14 0.00 3.39 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 68 L 8.80 4.51 0.00 1.40 1.51 0.82 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.73 5.02 0.00 3.02 2.99 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 70 V 8.88 5.03 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 0.74 0.00 0.00 0.97 0.00 0.00 71 D 8.70 4.90 0.00 2.80 2.85 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 72 K 8.79 4.06 0.00 2.04 1.92 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.03 7.81 73 L 8.16 4.39 0.00 1.80 1.69 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.34 4.51 0.00 2.91 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 75 N 8.02 5.29 0.00 2.79 2.82 0.00 0.00 7.02 7.32 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 76 I 8.90 4.05 2.10 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 1.47 0.86 1.00 0.00 0.00 77 A 9.17 4.71 1.34 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 0.00 0.00 78 Q 7.72 4.59 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 79 V 8.41 3.78 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 0.87 0.00 0.00 0.98 0.00 0.00 80 P 0.00 4.74 0.00 2.37 2.02 0.00 3.89 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 81 R 8.55 5.45 0.00 1.53 1.62 0.00 3.27 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 82 V 8.96 4.02 2.22 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 0.97 0.00 0.00 1.17 0.00 0.00 83 G 8.48 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00