NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3589 8.1744 110.9437 61.2358 70.4882 173.4714 6 N 4.7935 7.9503 119.8978 53.2026 39.3382 173.1448 7 S 4.5414 8.8794 113.3072 57.2179 65.0711 173.2201 8 D 4.7454 8.5914 121.4486 55.1067 41.7542 175.5951 9 F 5.3335 7.8548 114.1913 55.4393 41.6219 173.9207 10 V 4.6245 8.8742 112.0946 59.5279 35.3878 174.8858 11 V 4.8162 8.6932 123.5341 61.2761 34.1293 174.4493 12 I 4.9538 8.9044 128.0800 59.4630 40.9250 173.9720 13 K 5.0438 9.2250 129.0387 54.2707 34.5002 175.0907 14 A 4.4627 8.6973 129.9196 52.1653 19.2479 177.4929 15 L 4.7951 8.9646 121.7983 54.4814 42.7003 175.7644 16 E 4.6479 7.6656 115.6866 55.0266 32.2509 174.3555 17 D 4.4159 8.3619 119.1024 55.5600 41.3233 176.8382 18 G 3.8655 8.7238 109.1964 46.0140 0.0000 174.1845 19 V 3.9393 7.4659 119.1424 62.9238 33.0539 174.6222 20 N 5.3002 9.1520 123.2603 51.4322 42.2379 173.4293 21 V 4.5108 8.9028 124.5415 61.4550 33.4731 174.1692 22 I 4.4842 8.7527 130.2166 59.4404 39.5243 175.0542 23 G 4.1622 8.9977 114.9187 44.9181 0.0000 172.5699 24 L 5.4901 8.8331 126.3518 53.1733 44.1766 176.2999 25 T 4.5787 8.8935 114.0519 61.6633 69.3066 174.4423 26 R 4.5532 7.8770 125.7836 57.1302 31.0400 174.8309 27 G 3.7242 8.7843 108.2908 44.0904 0.0000 173.2018 28 A 4.0536 8.5968 120.7209 54.5031 18.6004 177.6992 29 D 4.6584 7.8683 114.5234 53.4984 42.3206 175.8271 30 T 4.6972 8.3582 122.6728 61.8318 70.1051 173.0717 31 R 4.7470 8.8745 122.4708 53.8883 33.9044 174.3137 32 F 5.2783 8.7387 118.6429 57.9946 38.9364 175.3023 33 H 4.9870 8.9152 118.3707 56.3613 30.7497 174.1710 34 H 4.7691 7.6731 117.7870 54.8541 33.4000 172.0176 35 S 4.7583 8.2247 119.8521 56.3958 64.4562 172.5085 36 E 4.3191 9.2334 130.1595 55.0198 30.6692 174.9111 37 K 4.8305 8.5658 128.8218 55.7892 33.7213 175.6476 38 L 4.9640 8.8834 126.6639 53.1919 45.3810 176.1677 39 D 5.0883 9.4487 123.9778 52.2595 43.4671 175.8936 40 K 3.9235 8.8208 121.6116 58.5538 32.2557 177.0368 41 G 4.0163 9.0325 115.2090 45.2236 0.0000 173.4784 42 E 4.2893 8.1121 119.6609 56.1770 30.8824 175.9271 43 V 4.8689 8.2869 121.8675 61.0123 34.2642 174.2471 44 L 4.7705 8.9693 129.4809 53.2275 44.9609 174.8708 45 I 4.9581 8.4225 125.9848 59.5510 39.4472 174.7138 46 A 4.6802 8.9649 128.9812 50.1531 22.1056 175.4311 47 Q 4.8107 8.6338 120.9007 54.9854 30.4774 175.6481 48 F 4.7662 8.4701 120.0968 57.9265 39.9027 175.3741 49 T 4.6750 8.6142 111.1876 60.2670 71.8644 172.9985 50 E 4.0046 8.9366 121.2327 59.6926 29.6594 177.5984 51 H 4.4674 8.1091 114.2642 56.8304 29.6754 174.5163 52 T 5.3427 8.3067 115.2617 61.0061 70.3135 173.9554 53 S 4.9420 8.7594 120.2947 58.1142 64.8797 173.3867 54 A 5.2068 7.9444 121.7586 50.9882 22.6235 175.0631 55 I 5.0117 8.6463 120.9125 59.3094 40.7595 174.7671 56 K 4.6007 8.9352 127.5961 54.4947 34.9558 174.5883 57 V 4.8152 8.4711 126.8194 61.2439 33.4854 174.5146 58 R 4.5585 8.7145 127.1719 55.4283 32.5856 176.1134 59 G 4.0958 8.9884 109.3255 43.9304 0.0000 172.8186 60 K 4.4828 9.8932 121.3752 56.2975 33.0044 175.6196 61 A 5.1172 8.8455 128.2860 50.8352 23.3996 173.7027 62 Y 5.0126 9.2072 122.2591 56.1558 41.0837 174.5761 63 I 4.9599 8.2973 126.9147 59.5148 41.0939 174.2843 64 Q 5.0113 8.9668 125.8459 54.3433 32.2666 174.8661 65 T 4.7872 8.5346 112.2179 59.8455 72.4999 174.4433 66 R 3.7530 8.5766 120.6101 59.4068 29.8434 176.5507 67 H 4.7180 9.1020 112.4985 55.6267 29.8716 175.5997 68 G 3.6792 6.4135 106.9557 44.5708 0.0000 172.6314 69 V 4.8241 7.5594 113.8583 59.9690 35.1243 174.9919 70 I 4.3553 8.0861 120.2461 60.3737 41.9183 172.6311 71 E 5.3293 8.7227 126.4860 54.5380 31.8452 176.1229 72 S 4.5838 8.8471 119.0341 58.1118 64.9641 172.8926 73 E 4.9069 8.6834 119.7284 54.7847 32.9274 175.8774 74 G 4.0471 8.4588 111.6970 43.6510 0.0000 173.8849 75 K 4.1550 8.3960 117.4819 56.6679 32.1556 177.3606 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 5 T 8.17 4.36 4.25 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 1.22 0.00 0.00 6 N 7.95 4.79 0.00 2.78 2.82 0.00 0.00 7.14 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 7 S 8.88 4.54 0.00 4.15 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 8 D 8.59 4.75 0.00 2.75 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 7.85 5.33 0.00 2.93 2.96 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 0.00 10 V 8.87 4.62 2.02 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 0.56 0.00 0.00 0.83 0.00 0.00 11 V 8.69 4.82 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 1.12 0.00 0.00 1.16 0.00 0.00 12 I 8.90 4.95 1.86 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 1.08 0.53 0.90 0.00 0.00 13 K 9.23 5.04 0.00 1.89 1.83 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.70 4.46 1.39 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 0.00 0.00 0.00 15 L 8.96 4.80 0.00 1.58 1.70 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.67 4.65 0.00 2.03 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 2.19 2.33 0.00 17 D 8.36 4.42 0.00 2.69 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 18 G 8.72 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 19 V 7.47 3.94 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 1.04 0.00 0.00 0.96 0.00 0.00 20 N 9.15 5.30 0.00 2.55 2.54 0.00 0.00 6.57 8.38 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 21 V 8.90 4.51 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 0.90 0.00 0.00 0.89 0.00 0.00 22 I 8.75 4.48 1.44 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.35 -0.54 0.00 0.00 23 G 9.00 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.83 5.49 0.00 1.90 1.71 1.06 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.89 4.58 4.32 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 1.40 0.00 0.00 26 R 7.88 4.55 0.00 1.91 1.98 0.00 3.18 0.00 0.00 3.07 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 27 G 8.78 3.72 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 0.00 0.00 0.00 28 A 8.60 4.05 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 29 D 7.87 4.66 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 4.70 4.25 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 1.27 0.00 0.00 31 R 8.87 4.75 0.00 1.83 1.98 0.00 2.80 0.00 0.00 3.46 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 32 F 8.74 5.28 0.00 2.91 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 33 H 8.92 4.99 0.00 3.15 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.67 4.77 0.00 3.30 3.09 0.00 5.80 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 35 S 8.22 4.76 0.00 3.64 3.56 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 36 E 9.23 4.32 0.00 2.13 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 2.26 2.28 0.00 37 K 8.57 4.83 0.00 1.77 1.66 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.58 7.81 38 L 8.88 4.96 0.00 1.57 1.50 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.45 5.09 0.00 2.55 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 40 K 8.82 3.92 0.00 1.82 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.52 7.81 41 G 9.03 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 42 E 8.11 4.29 0.00 2.01 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 2.32 2.39 0.00 43 V 8.29 4.87 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 0.80 0.00 0.00 1.01 0.00 0.00 44 L 8.97 4.77 0.00 1.74 1.44 0.90 0.94 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 45 I 8.42 4.96 1.71 0.00 0.00 0.79 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 0.64 0.51 0.00 0.00 46 A 8.96 4.68 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 Q 8.63 4.81 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 48 F 8.47 4.77 0.00 3.03 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 49 T 8.61 4.67 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 50 E 8.94 4.00 0.00 1.91 1.93 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 2.09 2.28 0.00 51 H 8.11 4.47 0.00 3.25 3.20 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.31 5.34 4.37 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 1.34 0.00 0.00 53 S 8.76 4.94 0.00 3.83 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 54 A 7.94 5.21 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 55 I 8.65 5.01 1.86 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.73 0.88 0.00 0.00 56 K 8.94 4.60 0.00 1.85 1.58 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.38 7.81 57 V 8.47 4.82 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 8.71 4.56 0.00 1.78 1.79 0.00 3.17 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 59 G 8.99 4.10 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 0.00 0.00 0.00 60 K 9.89 4.48 0.00 1.94 1.73 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.85 5.12 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 62 Y 9.21 5.01 0.00 3.01 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.30 4.96 1.89 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 1.17 0.55 0.82 0.00 0.00 64 Q 8.97 5.01 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.08 1.90 0.00 65 T 8.53 4.79 4.13 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 1.16 0.00 0.00 66 R 8.58 3.75 0.00 1.71 1.70 0.00 3.13 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 67 H 9.10 4.72 0.00 3.18 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.41 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.56 4.82 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 0.72 0.00 0.00 1.01 0.00 0.00 70 I 8.09 4.36 1.84 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 1.23 1.32 0.87 0.00 0.00 71 E 8.72 5.33 0.00 1.92 1.89 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 2.42 2.45 0.00 72 S 8.85 4.58 0.00 3.96 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 73 E 8.68 4.91 0.00 1.83 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 2.21 2.29 0.00 74 G 8.46 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.40 4.16 0.00 1.77 1.74 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.44 7.81