NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2888 8.2493 123.5826 51.9501 19.7469 176.1882 3 K 3.9161 8.2960 120.8525 56.7867 34.6613 171.4131 4 H 3.8054 9.2410 114.0350 59.9553 29.9743 174.7930 5 P 4.6429 0.0000 0.0000 62.5000 32.7307 176.0489 6 V 4.4709 7.7140 118.7045 60.8139 34.3470 172.0098 7 P 4.3975 0.0000 0.0000 62.6118 31.8276 176.3111 8 K 4.0698 8.6008 123.2564 58.7005 32.6033 176.6426 9 K 4.5900 7.5462 116.7348 53.6170 34.9476 176.0474 10 K 3.7885 8.8055 123.9283 56.8146 32.3751 176.4285 11 T 3.9496 8.4557 116.7176 61.8392 69.3038 174.6933 12 S 4.4938 8.3781 119.4451 57.5820 65.7172 175.2384 13 K 3.7123 8.6423 121.7030 59.6814 31.8335 179.1933 14 A 3.9269 7.9238 120.2980 55.4394 18.2003 179.5996 15 R 3.8816 7.3254 115.3514 59.1831 30.4967 178.1372 16 R 4.0041 8.7403 119.3221 59.8808 29.9829 178.2110 17 D 4.3501 8.1475 118.0586 57.3064 40.6338 178.7321 18 A 3.9580 7.7112 119.8775 54.8157 18.3690 179.2141 19 R 4.0542 7.6904 115.9105 58.5273 30.2988 177.0830 20 R 3.9193 7.7851 117.5232 55.7886 30.0778 178.3115 21 S 4.0678 7.9858 114.4106 60.8610 63.0142 174.5795 22 H 4.8028 8.0349 116.0087 55.9202 28.8585 174.9266 23 H 4.3942 8.3780 118.0841 57.1376 28.9309 175.0805 24 A 3.9067 8.1278 121.6826 52.1971 18.0430 177.2741 25 L 4.1038 8.4651 122.3527 55.6348 42.3358 176.7308 26 T 4.4985 8.0798 114.7182 59.3304 68.9919 172.2254 27 P 4.3030 0.0000 0.0000 61.9752 31.9116 174.5577 28 P 4.3024 0.0000 0.0000 63.3445 31.5922 175.9366 29 T 4.4600 8.2619 109.9813 60.5015 69.4113 173.4306 30 L 5.0431 8.3889 125.6384 53.1081 45.2192 176.3796 31 V 4.5615 8.9938 112.7147 58.9975 36.3271 173.2755 32 P 4.3629 0.0000 0.0000 63.1212 31.9464 175.8864 33 C 4.3707 9.0122 126.2159 57.4881 31.3947 171.3230 34 P 4.1043 0.0000 0.0000 64.3517 31.4194 175.7876 35 E 3.5143 8.1978 121.8649 54.6117 25.4247 173.2306 36 C 3.9677 8.4744 112.9378 58.1096 28.8368 175.2797 37 K 3.7529 8.8268 124.5301 59.2860 32.2841 176.4009 38 A 4.0063 7.3300 121.0495 51.1165 20.0685 176.1528 39 M 4.9612 8.5291 119.6053 53.4881 33.9610 175.5523 40 K 4.8641 8.5468 122.0244 54.2190 37.0004 173.5990 41 P 5.0300 0.0000 0.0000 61.4228 32.3624 174.2821 42 P 4.1255 0.0000 0.0000 64.3823 31.6793 175.4044 43 H 4.0898 8.7562 117.9778 57.8099 25.5049 174.3036 44 T 4.7878 7.8907 114.9053 62.1276 71.6852 175.3726 45 V 4.7716 7.8029 119.2971 62.0317 31.3345 173.3757 46 C 4.4419 7.9497 123.5857 57.8889 32.6659 173.2369 47 P 5.2976 0.0000 0.0000 62.6876 30.2474 175.9536 48 E 4.7341 8.5699 114.9193 55.5012 30.5582 174.8185 49 C 4.7958 9.8905 118.3702 56.9280 30.9288 176.0786 50 G 3.8823 7.7464 112.0596 46.6246 0.0000 174.9195 51 Y 4.4525 8.4493 125.7302 57.8391 42.5736 171.1617 52 Y 5.2479 9.2016 119.0659 54.4113 37.3884 175.6157 53 A 5.3680 8.7818 134.9002 51.6551 20.6806 177.1957 54 G 3.9775 8.1168 104.1429 46.3051 0.0000 174.1601 55 R 4.2271 7.7217 119.1221 57.1541 29.9532 175.8419 56 K 4.1593 9.4904 129.2152 56.7943 35.1229 175.7571 57 V 2.9797 7.9475 113.1643 63.8385 30.5911 173.1446 58 L 4.5372 7.9010 130.8537 55.9941 43.2975 176.0455 59 E 4.2588 8.2044 118.6962 56.3280 29.6205 176.8999 60 V 3.8983 8.3108 120.5771 64.0385 31.6085 176.6769 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 2 A 8.25 4.29 1.27 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 0.00 0.00 0.00 3 K 8.30 3.92 0.00 1.94 1.83 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.16 1.68 7.81 4 H 9.24 3.81 0.00 3.16 3.25 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.64 0.00 2.05 1.97 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 6 V 7.71 4.47 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 0.75 0.00 0.00 0.95 0.00 0.00 7 P 0.00 4.40 0.00 2.22 2.04 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 8 K 8.60 4.07 0.00 1.72 1.86 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.52 7.81 9 K 7.55 4.59 0.00 1.74 1.66 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.32 7.81 10 K 8.81 3.79 0.00 1.71 1.75 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.46 7.81 11 T 8.46 3.95 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 12 S 8.38 4.49 0.00 4.07 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 13 K 8.64 3.71 0.00 1.81 1.92 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.52 7.81 14 A 7.92 3.93 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 15 R 7.33 3.88 0.00 1.72 1.96 0.00 3.28 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 16 R 8.74 4.00 0.00 1.87 1.99 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 17 D 8.15 4.35 0.00 2.74 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 18 A 7.71 3.96 1.38 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 0.00 0.00 0.00 19 R 7.69 4.05 0.00 1.94 2.09 0.00 3.26 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 20 R 7.79 3.92 0.00 1.97 1.79 0.00 3.16 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.41 0.00 21 S 7.99 4.07 0.00 3.87 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 22 H 8.03 4.80 0.00 3.19 3.37 0.00 5.69 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.38 4.39 0.00 3.30 3.37 0.00 5.89 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 24 A 8.13 3.91 1.27 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 0.00 0.00 0.00 25 L 8.47 4.10 0.00 1.65 1.63 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.08 4.50 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 27 P 0.00 4.30 0.00 2.08 1.99 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 28 P 0.00 4.30 0.00 2.18 2.07 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 29 T 8.26 4.46 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 30 L 8.39 5.04 0.00 1.52 1.68 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.99 4.56 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 0.94 0.00 0.00 0.94 0.00 0.00 32 P 0.00 4.36 0.00 1.90 1.97 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 33 C 9.01 4.37 0.00 2.89 3.15 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 0.00 0.00 0.00 0.00 34 P 0.00 4.10 0.00 2.10 1.98 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.89 0.00 35 E 8.20 3.51 0.00 2.00 2.17 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 0.00 2.00 2.02 0.00 36 C 8.47 3.97 0.00 3.13 3.49 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 0.00 37 K 8.83 3.75 0.00 1.86 2.02 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.47 7.81 38 A 7.33 4.01 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 39 M 8.53 4.96 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 40 K 8.55 4.86 0.00 1.74 1.84 0.00 1.23 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.34 7.81 41 P 0.00 5.03 0.00 2.12 2.10 0.00 3.80 0.00 0.00 3.72 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 42 P 0.00 4.13 0.00 2.18 2.12 0.00 4.02 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 43 H 8.76 4.09 0.00 3.40 3.55 0.00 5.65 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.89 4.79 4.30 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 1.26 0.00 0.00 45 V 7.80 4.77 2.17 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 0.98 0.00 0.00 0.99 0.00 0.00 46 C 7.95 4.44 0.00 3.02 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 47 P 0.00 5.30 0.00 2.34 2.15 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 48 E 8.57 4.73 0.00 1.91 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 2.20 2.28 0.00 49 C 9.89 4.80 0.00 3.20 3.20 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 0.00 50 G 7.75 3.88 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 0.00 0.00 0.00 51 Y 8.45 4.45 0.00 3.00 2.77 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 52 Y 9.20 5.25 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.78 5.37 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 54 G 8.12 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 R 7.72 4.23 0.00 1.83 1.86 0.00 3.50 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 56 K 9.49 4.16 0.00 1.89 1.75 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.25 1.24 7.81 57 V 7.95 2.98 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 0.86 0.00 0.00 0.97 0.00 0.00 58 L 7.90 4.54 0.00 1.74 1.70 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.20 4.26 0.00 1.99 1.95 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 2.32 2.31 0.00 60 V 8.31 3.90 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 0.77 0.00 0.00 0.93 0.00 0.00