NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.3023 8.2393 119.6936 55.6099 32.4588 176.0986 4 P 4.1872 0.0000 0.0000 61.8579 31.8101 175.5745 5 S 4.2075 8.5467 114.8910 61.0696 63.1691 177.5832 6 L 4.0801 7.9715 122.3027 58.9294 39.9080 179.6175 7 C 4.5273 8.0127 115.8796 59.1311 40.1705 174.5314 8 D 4.6055 7.7871 118.5257 53.3292 41.3452 176.6848 9 L 4.2151 7.3743 120.4901 53.7813 42.3058 175.3381 10 P 4.4121 0.0000 0.0000 61.7011 32.1160 176.2321 11 A 3.0909 7.7088 123.1794 51.9156 18.5447 177.0904 12 D 4.5994 7.6036 120.3822 52.3123 43.4967 175.9657 13 S 4.9123 8.3801 123.7140 59.7869 63.2900 174.6463 14 G 3.7842 8.1523 104.9372 44.2442 0.0000 172.9171 15 S 4.5917 8.2907 113.4286 57.8351 63.8709 174.8995 16 G 3.8361 7.5844 110.3342 45.5236 0.0000 173.3571 17 T 4.5680 8.1370 108.6851 61.1318 70.0866 174.2971 18 K 4.3356 8.1563 122.4571 56.1129 34.2034 175.8846 19 A 4.6513 8.4294 122.9088 50.3809 19.8802 174.7757 20 E 4.8234 8.7488 119.6858 55.2874 34.7157 174.7672 21 K 4.9020 8.5027 118.5108 55.0079 35.4023 176.2863 22 R 4.7450 8.4524 122.3116 54.4461 35.0431 173.9062 23 I 5.4369 9.2414 121.1995 60.0677 39.5979 174.8783 24 Y 5.4940 9.3493 124.1030 55.4081 42.2643 173.4793 25 Y 4.3768 9.6766 122.8546 56.7239 40.6403 174.0818 26 N 4.4185 7.7965 126.6245 51.5653 38.3222 175.2641 27 S 3.6785 8.1580 120.9734 60.7616 63.6546 175.9743 28 A 4.0500 8.0089 123.0989 55.1506 18.0889 178.4161 29 R 4.1159 8.3128 112.0587 55.7163 30.6058 176.4654 30 K 3.9800 7.4761 115.7466 55.6748 32.1730 174.7129 31 Q 4.6620 6.8365 113.5420 56.2087 32.2759 174.3005 32 C 4.9418 8.7336 119.0567 56.7215 40.8312 172.7963 33 L 4.8480 8.3662 123.3076 52.8340 45.5673 175.5471 34 R 5.4059 8.5871 118.5654 55.6225 31.7186 176.2169 35 F 5.1321 9.0348 115.8585 55.5029 42.3876 173.0109 36 D 4.9235 8.8322 120.1133 54.1053 42.0944 174.5942 37 Y 5.3159 8.3729 125.4133 55.7575 41.4570 175.8681 38 T 4.7773 8.2553 115.8804 61.5618 69.6085 176.3014 39 G 3.7648 7.7779 110.0439 45.3937 0.0000 173.2059 40 Q 4.5203 6.5820 119.2095 55.6442 32.8706 174.4514 41 G 4.1225 8.9179 110.7991 47.1567 0.0000 173.3623 42 G 3.9989 8.9088 111.0441 45.4234 0.0000 170.0007 43 N 5.0676 8.2634 118.0297 51.1746 40.4466 173.9635 44 E 4.0207 8.6580 115.7202 57.8694 29.9147 177.4252 45 N 4.7587 8.0671 120.5315 51.4195 36.7244 173.1093 46 N 5.1535 7.0120 117.4810 52.4031 42.4031 173.5642 47 F 4.8907 9.6874 124.9916 55.9555 42.8847 176.5701 48 R 4.0709 9.0572 121.3038 58.2719 30.3109 177.7900 49 R 4.7459 7.7767 116.2438 54.3553 33.5341 177.0361 50 T 3.8671 8.5423 119.8156 67.0425 68.4689 176.1859 51 Y 3.5389 8.0113 120.8581 60.6368 38.9859 177.6727 52 D 4.3161 8.1100 119.4721 57.3532 40.8998 179.0315 53 C 2.4500 7.3661 118.5959 58.8499 40.8597 175.7949 54 Q 3.5725 7.3573 119.4051 58.9500 28.0947 178.6451 55 R 3.8515 7.4750 117.7538 59.5404 30.1067 178.9916 56 T 4.0410 7.3704 114.1567 66.0588 68.7219 175.5769 57 C 4.3601 7.7094 115.8703 57.0453 41.7384 173.9909 58 L 3.9560 7.6002 124.8593 54.7643 41.2813 176.4664 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 3 R 8.24 4.30 0.00 1.79 2.04 0.00 3.17 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 4 P 0.00 4.19 0.00 2.31 2.19 0.00 3.74 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 2.06 2.02 0.00 5 S 8.55 4.21 0.00 3.92 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 6 L 7.97 4.08 0.00 1.97 1.93 1.07 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.01 4.53 0.00 3.11 3.30 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 8 D 7.79 4.61 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.37 4.22 0.00 1.76 1.57 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.41 0.00 1.94 1.91 0.00 3.63 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 1.99 2.05 0.00 11 A 7.71 3.09 -0.12 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 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.60 4.60 0.00 2.54 2.49 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 13 S 8.38 4.91 0.00 3.99 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 14 G 8.15 3.78 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 0.00 0.00 0.00 15 S 8.29 4.59 0.00 3.92 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 16 G 7.58 3.84 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 0.00 0.00 0.00 17 T 8.14 4.57 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 18 K 8.16 4.34 0.00 1.71 1.71 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.32 7.81 19 A 8.43 4.65 1.18 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 0.00 0.00 0.00 0.00 0.00 20 E 8.75 4.82 0.00 2.01 1.84 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 2.20 2.21 0.00 21 K 8.50 4.90 0.00 1.57 1.65 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.37 7.81 22 R 8.45 4.75 0.00 0.67 1.71 0.00 3.35 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.30 0.00 23 I 9.24 5.44 2.17 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.19 1.02 0.00 0.00 24 Y 9.35 5.49 0.00 3.14 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 25 Y 9.68 4.38 0.00 2.96 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 7.80 4.42 0.00 2.24 2.40 0.00 0.00 6.52 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.16 3.68 0.00 4.09 4.12 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 0.00 0.00 0.00 0.00 28 A 8.01 4.05 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 29 R 8.31 4.12 0.00 1.63 1.88 0.00 3.29 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 30 K 7.48 3.98 0.00 2.08 1.92 0.00 1.63 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.30 7.81 31 Q 6.84 4.66 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.11 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 32 C 8.73 4.94 0.00 2.82 3.02 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 33 L 8.37 4.85 0.00 1.33 1.59 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.59 5.41 0.00 1.79 1.94 0.00 3.23 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 35 F 9.03 5.13 0.00 3.03 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 36 D 8.83 4.92 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.37 5.32 0.00 2.32 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.26 4.78 4.08 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 0.00 0.00 0.00 1.13 0.00 0.00 39 G 7.78 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 0.00 0.00 0.00 40 Q 6.58 4.52 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.52 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 41 G 8.92 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.26 5.07 0.00 2.73 2.77 0.00 0.00 5.90 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.66 4.02 0.00 1.93 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 2.27 2.20 0.00 45 N 8.07 4.76 0.00 2.94 2.86 0.00 0.00 6.83 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 46 N 7.01 5.15 0.00 2.68 2.45 0.00 0.00 7.07 7.02 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 47 F 9.69 4.89 0.00 3.13 3.03 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 48 R 9.06 4.07 0.00 1.87 2.03 0.00 3.20 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 49 R 7.78 4.75 0.00 2.07 1.89 0.00 3.19 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 50 T 8.54 3.87 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 1.19 0.00 0.00 51 Y 8.01 3.54 0.00 3.12 3.01 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 52 D 8.11 4.32 0.00 2.99 2.87 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 53 C 7.37 2.45 0.00 2.22 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.36 3.57 0.00 1.59 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.54 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 55 R 7.48 3.85 0.00 1.69 1.97 0.00 3.28 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 56 T 7.37 4.04 4.06 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 0.00 0.00 0.00 1.31 0.00 0.00 57 C 7.71 4.36 0.00 2.11 1.63 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 58 L 7.60 3.96 0.00 1.57 1.42 0.84 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00