NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3339 8.2931 120.3471 54.8145 32.9726 174.8019 2 G 3.9062 8.5431 103.8181 45.0246 0.0000 170.8968 3 K 3.5573 8.5343 118.8222 56.9297 30.7287 173.1757 4 A 4.5808 7.6909 120.8463 50.2899 20.7202 175.7787 5 E 4.6704 8.4382 119.7603 55.0482 32.5674 175.1062 6 N 4.4634 7.9419 115.5103 55.0404 41.2172 174.8597 7 Y 4.3949 6.2939 112.6482 58.9318 39.2570 175.5912 8 E 4.2573 7.6061 120.2666 55.9292 29.6091 177.5184 9 L 4.0044 6.7668 120.6827 57.2907 42.7905 176.4288 10 Y 4.6327 6.4587 113.8760 58.7408 37.8070 174.7315 11 Q 4.5153 7.4357 119.7967 56.5286 29.7276 177.0640 12 V 4.0748 7.6424 115.9631 60.6431 30.3934 174.7658 13 E 3.6794 8.0287 125.5589 57.0508 28.2504 173.5576 14 L 4.0607 8.0601 116.7175 54.2691 42.5695 177.7469 15 G 3.7420 8.3747 108.8213 45.3011 0.0000 173.1381 16 P 4.5062 0.0000 0.0000 61.3200 29.6419 174.9097 17 G 4.2200 7.7049 115.1883 43.5000 0.0000 169.1058 18 P 4.2686 0.0000 0.0000 65.6758 31.6107 178.6642 19 S 3.7802 8.8210 113.2278 58.6302 61.7352 174.2423 20 G 3.8422 8.9349 114.2636 45.6638 0.0000 176.4232 21 D 4.9020 8.7691 119.1842 50.7738 42.4813 175.8197 22 M 4.0715 8.6170 118.6117 56.5066 31.4354 176.5787 23 A 5.2212 7.8047 135.0000 52.5248 19.7877 174.8722 24 A 4.6539 7.8508 123.4723 51.1701 20.7522 178.7314 25 K 4.4379 8.1714 119.2228 56.1735 34.0521 170.5093 26 M 3.1977 8.3953 128.6588 54.5972 33.5964 176.0675 27 S 4.6194 8.8319 121.1488 56.8825 64.0355 174.3853 28 K 4.2944 7.8924 126.9869 54.6576 32.0235 173.6229 29 K 4.1998 7.3054 129.4054 55.5643 38.8001 174.6284 30 K 4.5422 7.5627 117.7848 54.3049 35.9302 175.4775 31 A 3.9824 8.5058 122.9855 52.5948 18.4599 175.7706 32 G 4.2402 8.0418 106.8554 43.6996 0.0000 172.2536 33 R 4.1670 8.3788 118.6835 56.2836 31.0846 176.6194 34 G 4.1666 8.6130 111.1499 46.1027 0.0000 173.4408 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 8.29 4.33 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 2 G 8.54 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 0.00 0.00 0.00 3 K 8.53 3.56 0.00 1.86 1.80 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.40 7.81 4 A 7.69 4.58 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 5 E 8.44 4.67 0.00 1.90 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 0.00 2.03 2.10 0.00 6 N 7.94 4.46 0.00 2.05 1.56 0.00 0.00 6.80 7.45 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 7 Y 6.29 4.39 0.00 2.96 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 8 E 7.61 4.26 0.00 1.98 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 2.37 2.39 0.00 9 L 6.77 4.00 0.00 1.37 1.41 0.86 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 6.46 4.63 0.00 3.10 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 11 Q 7.44 4.52 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.26 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 12 V 7.64 4.07 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 0.96 0.00 0.00 0.94 0.00 0.00 13 E 8.03 3.68 0.00 2.09 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 0.00 2.21 2.31 0.00 14 L 8.06 4.06 0.00 1.71 1.68 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.37 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.51 0.00 2.20 2.10 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 17 G 7.70 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.19 2.18 0.00 3.91 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 1.98 1.98 0.00 19 S 8.82 3.78 0.00 4.05 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 20 G 8.93 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 21 D 8.77 4.90 0.00 2.74 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 M 8.62 4.07 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 23 A 7.80 5.22 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 24 A 7.85 4.65 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 K 8.17 4.44 0.00 1.72 1.73 0.00 1.90 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.43 7.81 26 M 8.40 3.20 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.74 0.00 27 S 8.83 4.62 0.00 3.51 3.69 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 28 K 7.89 4.29 0.00 1.65 1.65 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.38 7.81 29 K 7.31 4.20 0.00 1.66 1.60 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.20 1.29 7.81 30 K 7.56 4.54 0.00 1.81 1.68 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.38 7.81 31 A 8.51 3.98 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.04 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 0.00 0.00 0.00 0.00 33 R 8.38 4.17 0.00 1.78 1.83 0.00 3.32 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 34 G 8.61 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00