NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4639 8.3044 120.3266 55.3166 34.2539 176.4186 2 E 3.9136 8.4423 118.9181 57.0426 29.3016 174.4374 3 E 5.8714 8.8586 129.4915 57.4004 31.0322 176.7541 4 P 4.4059 0.0000 0.0000 63.8236 31.5703 177.7580 5 Q 4.1059 7.4600 112.2250 56.3948 28.4667 173.4420 6 S 3.7922 7.2204 112.6927 57.5397 62.3084 173.1159 7 D 4.5966 8.7027 125.3594 55.0740 41.9686 176.3374 8 P 4.2811 0.0000 0.0000 65.0409 31.3987 177.0547 9 S 4.5403 7.9715 111.7613 58.8359 64.1058 174.7623 10 V 4.0083 7.0509 120.4777 60.9412 29.5971 172.9588 11 E 4.3506 7.9726 120.6997 53.0717 29.6752 173.0373 12 P 4.1752 0.0000 0.0000 61.4612 31.0908 174.6751 13 P 4.2905 0.0000 0.0000 63.1033 31.6252 176.7032 14 L 4.5347 8.7620 121.4999 54.2315 42.3549 177.3015 15 S 4.5135 8.4444 114.0906 57.9574 62.2397 169.4845 16 Q 4.8600 7.5836 119.6143 55.1510 29.1818 177.3227 17 E 3.9614 8.7063 119.0992 60.2493 30.0444 178.3946 18 T 4.0846 8.2712 114.2098 66.9846 69.3361 176.9658 19 F 3.9443 8.7162 119.8384 61.4721 39.2933 177.9749 20 S 3.8423 8.7986 114.7684 61.7086 62.9481 176.1861 21 D 4.2126 8.5576 119.9136 57.8287 40.3770 178.1586 22 L 3.8110 7.5755 116.9337 58.1683 41.7694 179.0060 23 W 4.5812 8.4033 117.5423 57.8978 29.1217 177.2426 24 K 3.6779 6.8076 117.3448 57.0322 31.9073 177.1278 25 L 4.5107 7.4487 118.6289 53.9651 41.7412 176.3551 26 L 4.0999 7.7254 120.3772 55.0291 40.4512 175.5864 27 P 4.2337 0.0000 0.0000 64.7326 31.5224 176.4284 28 E 4.8048 7.9930 115.5556 56.4325 32.9315 177.4073 29 N 3.9345 8.6642 122.7446 54.0688 36.4400 172.4294 30 N 3.9301 7.2023 119.6993 50.2768 40.1724 174.3132 31 V 4.3174 8.1861 121.5432 61.3563 33.0790 175.5107 32 L 4.3866 8.6253 125.8285 55.7770 42.3169 176.8993 33 S 3.9354 7.1801 114.2657 57.0498 60.6215 171.1294 34 P 4.3801 0.0000 0.0000 62.2193 31.9493 175.9363 35 L 4.7043 8.0813 121.3212 52.1347 43.5614 174.8619 36 P 4.3836 0.0000 0.0000 63.4315 31.9052 177.5890 37 S 3.8887 7.3452 118.1299 59.2835 59.7664 172.9072 38 Q 4.1934 8.2703 124.8440 56.4738 30.1169 175.3702 39 A 4.3284 7.8667 124.2748 52.0774 19.2715 176.2453 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 8.30 4.46 0.00 2.02 2.20 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 2.50 2.54 0.00 2 E 8.44 3.91 0.00 2.00 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 2.29 2.39 0.00 3 E 8.86 5.87 0.00 2.12 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 2.16 2.07 0.00 4 P 0.00 4.41 0.00 2.04 2.13 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 5 Q 7.46 4.11 0.00 2.34 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.49 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 6 S 7.22 3.79 0.00 4.00 3.86 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 0.00 0.00 0.00 7 D 8.70 4.60 0.00 2.77 2.68 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 8 P 0.00 4.28 0.00 2.08 2.11 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 9 S 7.97 4.54 0.00 3.85 3.90 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 0.00 0.00 0.00 10 V 7.05 4.01 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 0.87 0.00 0.00 0.94 0.00 0.00 11 E 7.97 4.35 0.00 1.99 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 2.22 2.41 0.00 12 P 0.00 4.18 0.00 2.04 2.10 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 13 P 0.00 4.29 0.00 2.06 2.04 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 14 L 8.76 4.53 0.00 1.74 1.69 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.44 4.51 0.00 4.09 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 0.00 16 Q 7.58 4.86 0.00 2.20 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.69 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 17 E 8.71 3.96 0.00 1.99 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 0.00 2.34 2.41 0.00 18 T 8.27 4.08 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 1.10 0.00 0.00 19 F 8.72 3.94 0.00 3.38 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.80 3.84 0.00 4.04 4.01 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 0.00 0.00 0.00 21 D 8.56 4.21 0.00 2.86 2.65 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 22 L 7.58 3.81 0.00 2.00 1.78 0.55 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 23 W 8.40 4.58 0.00 3.49 3.39 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 24 K 6.81 3.68 0.00 1.29 1.40 0.00 1.30 0.00 0.00 1.39 0.00 0.00 2.69 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 0.21 7.81 25 L 7.45 4.51 0.00 1.74 1.59 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.73 4.10 0.00 1.84 1.85 1.01 0.73 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 27 P 0.00 4.23 0.00 2.05 2.18 0.00 3.75 0.00 0.00 3.76 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 E 7.99 4.80 0.00 1.95 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 29 N 8.66 3.93 0.00 2.78 2.83 0.00 0.00 7.12 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 7.20 3.93 0.00 2.81 2.70 0.00 0.00 7.05 7.77 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 31 V 8.19 4.32 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 0.81 0.00 0.00 0.94 0.00 0.00 32 L 8.63 4.39 0.00 1.68 1.70 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.18 3.94 0.00 3.85 3.76 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 34 P 0.00 4.38 0.00 2.08 1.98 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 35 L 8.08 4.70 0.00 1.62 1.58 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.38 0.00 2.17 2.05 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 37 S 7.35 3.89 0.00 3.91 3.82 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 38 Q 8.27 4.19 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 39 A 7.87 4.33 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