NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3979 8.1633 120.3315 55.5777 33.6669 174.3057 2 N 3.9924 8.5985 113.6504 53.0761 36.4366 175.4413 3 K 3.8266 7.7998 118.5478 59.8585 33.1409 176.7188 4 G 3.8859 8.1561 105.0743 48.4184 0.0000 175.0433 5 Q 4.0030 8.0063 121.8102 58.3597 29.2517 177.9192 6 R 3.1827 8.5785 120.1148 59.7760 30.0477 177.9585 7 H 4.1592 8.8336 116.1910 59.1728 28.6171 177.8212 8 I 3.7319 7.5384 121.1720 64.0586 36.7927 178.4030 9 K 4.0139 8.0160 120.4938 59.5223 32.0091 178.6998 10 I 3.7057 7.9619 120.4259 64.6986 36.9324 178.5760 11 R 3.9257 8.0161 118.5445 59.2531 29.8142 179.1142 12 E 3.9690 8.3561 118.6107 59.3168 29.5181 179.3403 13 I 3.6753 8.5779 121.2453 64.4956 37.0335 178.6784 14 I 4.0256 7.6967 112.2976 64.1161 37.4318 178.0539 15 T 4.0257 7.5908 117.2720 66.2236 68.3864 176.0952 16 S 4.5252 7.9444 114.1489 58.4403 63.8109 173.3010 17 N 4.9841 8.1554 118.5994 51.2519 41.8348 173.9878 18 E 4.2996 8.4970 120.5240 55.0358 28.7771 174.2485 19 I 4.5375 8.0376 126.6248 59.8962 37.9046 176.5738 20 E 4.9118 9.6142 125.5320 56.9742 30.4629 176.9833 21 T 4.8502 7.4115 107.8413 59.5462 72.7242 174.4337 22 Q 3.7797 8.6401 121.1723 58.9216 28.6465 178.8242 23 D 4.3159 8.0089 119.7162 57.3678 40.8596 178.1478 24 E 3.9441 8.0159 118.8370 59.5497 29.4058 179.3961 25 L 3.8483 7.6720 119.9917 57.8932 42.0419 178.8504 26 V 3.5411 8.0475 118.6989 66.2674 31.3688 177.6172 27 D 4.3546 8.3657 118.6104 57.8051 40.6379 178.6399 28 M 4.0423 8.2471 119.2325 58.5187 31.8634 178.9472 29 L 4.0186 8.1297 119.1337 57.7435 41.7506 179.5154 30 K 4.2007 8.2498 120.0465 59.0490 31.7946 179.2093 31 Q 4.0389 8.0208 116.9284 59.0136 28.7588 177.8201 32 D 4.7656 8.0409 115.6874 54.4555 41.1720 176.3988 33 G 3.8655 8.3529 106.1589 45.8592 0.0000 172.7344 34 Y 4.4156 8.2232 117.9173 55.5674 39.4614 175.5987 35 K 4.4277 8.5765 124.4486 56.2405 31.2235 176.5221 36 V 4.5641 7.9364 115.9437 58.9432 35.9256 174.9488 37 T 4.7104 7.9544 111.2479 59.2845 73.0490 174.6510 38 Q 3.8750 8.4934 120.1879 59.1448 28.9507 177.5051 39 A 3.9496 8.0252 121.2665 55.8772 18.3502 179.5023 40 T 3.8226 7.4134 113.4540 66.8645 68.4140 177.0756 41 V 3.5008 7.6822 120.0948 65.7102 31.4245 177.8611 42 S 4.1380 8.5750 113.3256 61.5564 62.1910 176.4585 43 R 3.8996 8.0379 120.4125 59.3922 29.7627 178.5729 44 D 4.3561 8.6840 118.9466 57.7455 40.8614 179.2365 45 I 3.6775 8.4808 120.9997 64.0703 37.1630 178.5313 46 K 3.9420 8.2758 120.8693 59.6310 31.8773 178.8802 47 E 4.0688 8.6117 117.9987 59.1893 29.4850 178.7155 48 L 4.1624 8.0827 117.0847 54.8913 41.9582 176.6456 49 H 4.0732 7.9037 114.4077 56.6736 26.7629 174.9901 50 L 4.5522 7.6886 118.0880 54.9464 42.6587 177.0177 51 V 4.4820 8.8444 112.9809 59.6327 36.4057 175.1377 52 K 3.9509 8.3206 125.0080 55.0532 32.4938 175.7618 53 V 4.0663 8.7975 129.3168 61.3933 33.0319 173.2751 54 P 4.5772 0.0000 0.0000 62.6549 31.7714 176.6657 55 T 4.3157 8.9686 117.3609 60.7379 70.8867 173.8156 56 N 4.5541 8.4895 117.1672 54.9531 39.0918 175.4497 57 N 4.6678 8.0939 114.6288 52.8399 37.5917 175.4154 58 G 3.7660 8.5319 104.9279 46.5445 0.0000 173.3435 59 S 4.5673 7.6653 113.6198 56.8181 67.0649 171.7584 60 Y 5.0403 8.5263 115.7553 56.2854 41.2895 175.2943 61 K 4.9839 9.1421 121.2622 55.5140 36.3682 175.3706 62 Y 4.6252 9.2465 120.8269 58.4793 38.8918 174.8387 63 S 4.6680 8.8074 114.7298 56.9979 66.6667 174.6510 64 L 4.2020 8.5023 123.6505 55.2169 41.3754 177.1715 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 M 8.16 4.40 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 2 N 8.60 3.99 0.00 3.22 2.97 0.00 0.00 6.41 6.80 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 3 K 7.80 3.83 0.00 1.74 1.76 0.00 1.81 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 0.97 7.81 4 G 8.16 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 5 Q 8.01 4.00 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 6 R 8.58 3.18 0.00 1.85 2.05 0.00 3.06 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.12 0.00 7 H 8.83 4.16 0.00 3.41 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.54 3.73 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.67 0.92 0.00 0.00 9 K 8.02 4.01 0.00 1.70 1.56 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.49 1.51 7.81 10 I 7.96 3.71 1.94 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.36 0.82 0.00 0.00 11 R 8.02 3.93 0.00 2.01 1.97 0.00 3.12 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 12 E 8.36 3.97 0.00 2.19 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 2.35 0.00 13 I 8.58 3.68 1.95 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 1.57 0.76 0.90 0.00 0.00 14 I 7.70 4.03 2.09 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.55 0.91 0.00 0.00 15 T 7.59 4.03 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 1.22 0.00 0.00 16 S 7.94 4.53 0.00 4.05 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 17 N 8.16 4.98 0.00 2.64 2.75 0.00 0.00 6.85 7.63 0.00 0.00 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 E 8.50 4.30 0.00 1.92 1.91 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 2.25 2.40 0.00 19 I 8.04 4.54 1.98 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 1.44 0.68 0.87 0.00 0.00 20 E 9.61 4.91 0.00 2.02 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 2.53 2.26 0.00 21 T 7.41 4.85 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 22 Q 8.64 3.78 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.94 0.00 0.00 0.00 0.00 0.00 2.10 2.34 0.00 23 D 8.01 4.32 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 3.94 0.00 2.28 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 2.35 2.35 0.00 25 L 7.67 3.85 0.00 1.58 1.65 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.05 3.54 2.25 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 1.11 0.00 0.00 1.01 0.00 0.00 27 D 8.37 4.35 0.00 2.87 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.25 4.04 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.96 0.00 29 L 8.13 4.02 0.00 1.90 1.74 0.78 0.84 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 30 K 8.25 4.20 0.00 1.95 1.89 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.54 7.81 31 Q 8.02 4.04 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.19 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 32 D 8.04 4.77 0.00 2.90 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 33 G 8.35 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 34 Y 8.22 4.42 0.00 3.19 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 35 K 8.58 4.43 0.00 1.77 1.82 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.45 7.81 36 V 7.94 4.56 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 0.76 0.00 0.00 1.03 0.00 0.00 37 T 7.95 4.71 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 38 Q 8.49 3.87 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 39 A 8.03 3.95 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 40 T 7.41 3.82 4.38 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 1.25 0.00 0.00 41 V 7.68 3.50 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 0.83 0.00 0.00 0.86 0.00 0.00 42 S 8.57 4.14 0.00 4.01 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 43 R 8.04 3.90 0.00 2.08 1.97 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 44 D 8.68 4.36 0.00 2.85 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.48 3.68 2.08 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.60 1.03 0.00 0.00 46 K 8.28 3.94 0.00 1.89 1.98 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 47 E 8.61 4.07 0.00 1.94 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 2.37 2.64 0.00 48 L 8.08 4.16 0.00 1.65 1.68 0.77 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 49 H 7.90 4.07 0.00 3.28 3.40 0.00 5.85 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.69 4.55 0.00 1.66 1.83 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.84 4.48 2.04 0.00 0.00 0.00 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 0.97 0.00 0.00 52 K 8.32 3.95 0.00 0.79 1.37 0.00 1.39 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.11 0.94 7.81 53 V 8.80 4.07 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 0.90 0.00 0.00 0.91 0.00 0.00 54 P 0.00 4.58 0.00 1.88 1.80 0.00 3.72 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.26 0.00 55 T 8.97 4.32 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 1.22 0.00 0.00 56 N 8.49 4.55 0.00 2.70 2.88 0.00 0.00 6.78 8.00 0.00 0.00 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 N 8.09 4.67 0.00 2.78 2.87 0.00 0.00 6.10 7.00 0.00 0.00 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 G 8.53 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.67 4.57 0.00 3.86 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 60 Y 8.53 5.04 0.00 2.86 2.76 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 0.00 0.00 0.00 0.00 61 K 9.14 4.98 0.00 1.78 1.86 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.45 7.81 62 Y 9.25 4.63 0.00 2.84 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 63 S 8.81 4.67 0.00 3.90 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 64 L 8.50 4.20 0.00 1.69 1.59 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00