NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 L 4.0327 8.1693 122.4516 54.6772 43.8477 177.6919 32 F 4.8919 6.9845 110.2587 54.5044 38.5758 172.5711 33 S 4.3529 8.2389 118.3222 61.3321 64.2037 175.9272 34 K 4.1173 7.9471 121.9137 59.6627 32.2188 178.4673 35 E 3.9833 8.3012 118.3635 59.5046 29.2546 179.0780 36 L 4.0587 7.7876 119.2513 57.9778 42.1060 179.2952 37 R 3.9758 8.1535 118.3795 59.4499 29.9681 178.7841 38 C 4.3061 8.0567 116.1234 62.8246 28.0539 175.6707 39 M 3.8748 8.1170 119.9715 58.9765 31.8791 178.2906 40 M 4.2825 8.4411 119.1357 58.4092 32.0918 178.2335 41 Y 4.4810 8.1476 120.0279 60.7567 38.8561 178.1119 42 G 3.3113 8.4644 105.5938 46.8666 0.0000 174.5068 43 F 4.8731 7.3976 117.4644 56.7072 39.5022 175.8270 44 G 3.8628 7.5064 106.1944 45.3136 0.0000 173.8692 45 D 4.6788 8.0518 119.9607 52.5137 42.3258 175.1311 46 D 4.4812 8.4676 121.0945 54.3410 41.4438 176.1374 47 Q 3.0071 8.7008 125.4369 58.4020 28.9068 176.2755 48 N 4.6677 8.8200 115.7415 50.1724 39.1495 171.5952 49 P 4.3310 0.0000 0.0000 62.1293 32.6473 176.4247 50 Y 4.6578 8.1116 115.9271 57.4751 40.0568 176.9457 51 T 3.9511 8.6505 120.8901 67.0132 68.5837 176.7948 52 E 4.0625 8.2709 119.7704 59.3384 29.4298 179.4170 53 S 4.2402 8.0019 114.9986 61.3030 63.1376 176.4980 54 V 3.6837 7.8258 120.7944 66.0935 31.1906 177.8763 55 D 4.4363 8.1494 118.3874 57.1685 40.7638 178.6572 56 I 3.7117 7.5473 120.5060 64.3329 37.0737 178.1151 57 L 3.9696 7.9945 121.0848 58.0295 41.8522 178.4708 58 E 4.1275 8.1372 119.1644 59.7345 29.6274 178.4059 59 D 4.4739 8.3258 118.7775 57.6465 40.8007 179.0937 60 L 4.1156 8.0287 119.3220 57.6211 41.5456 179.7352 61 V 3.6802 8.2581 118.6800 66.0593 31.5139 178.0711 62 I 3.8369 8.3283 119.9757 64.5494 37.0554 177.8824 63 E 3.9766 8.7307 120.4652 59.2625 29.4107 178.6658 64 F 4.1973 8.5672 120.8177 61.4609 39.5043 177.1468 65 I 3.4407 8.2271 119.7637 64.6558 36.9335 178.4055 66 T 3.8008 7.8502 116.5340 66.6005 68.1711 176.2184 67 E 3.9020 8.0236 120.8359 59.4950 29.6513 178.5443 68 M 3.8393 7.5785 118.5555 58.9956 31.9424 178.3369 69 T 3.9272 8.0234 115.6496 67.6457 68.2632 175.8671 70 H 4.1457 8.2976 117.3518 59.0918 28.8134 177.8026 71 K 3.7796 8.3474 121.1817 59.0801 31.7989 178.8255 72 A 4.0382 8.5967 121.5455 55.1593 18.3532 179.0574 73 M 4.1153 8.1874 116.9745 58.5173 32.0033 179.0118 74 S 4.2736 7.3741 114.1974 61.4566 63.3775 174.6423 75 I 3.9988 7.3567 123.6810 61.3168 37.9005 175.1650 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 31 L 8.17 4.03 0.00 1.24 0.36 0.73 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 32 F 6.98 4.89 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 33 S 8.24 4.35 0.00 3.94 3.96 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 34 K 7.95 4.12 0.00 1.89 1.81 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.54 7.81 35 E 8.30 3.98 0.00 2.14 2.01 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 2.44 2.47 0.00 36 L 7.79 4.06 0.00 2.22 1.87 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.15 3.98 0.00 2.05 1.98 0.00 3.21 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.04 0.00 38 C 8.06 4.31 0.00 2.99 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 39 M 8.12 3.87 0.00 2.27 2.24 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 2.63 2.79 0.00 40 M 8.44 4.28 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.62 0.00 41 Y 8.15 4.48 0.00 3.01 3.12 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 42 G 8.46 3.31 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 0.00 43 F 7.40 4.87 0.00 3.08 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 44 G 7.51 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 0.00 0.00 0.00 45 D 8.05 4.68 0.00 2.71 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 46 D 8.47 4.48 0.00 2.58 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 3.01 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 1.75 1.51 0.00 48 N 8.82 4.67 0.00 2.48 2.60 0.00 0.00 7.21 7.27 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 49 P 0.00 4.33 0.00 2.24 2.29 0.00 3.74 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 1.99 2.02 0.00 50 Y 8.11 4.66 0.00 3.04 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 51 T 8.65 3.95 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 1.27 0.00 0.00 52 E 8.27 4.06 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 53 S 8.00 4.24 0.00 4.18 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 54 V 7.83 3.68 2.27 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 1.10 0.00 0.00 1.04 0.00 0.00 55 D 8.15 4.44 0.00 2.80 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 56 I 7.55 3.71 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.97 0.93 0.00 0.00 57 L 7.99 3.97 0.00 1.99 1.80 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.14 4.13 0.00 2.36 2.18 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 2.43 2.79 0.00 59 D 8.33 4.47 0.00 3.01 2.76 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 60 L 8.03 4.12 0.00 1.91 1.73 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.26 3.68 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.98 0.00 0.00 62 I 8.33 3.84 2.12 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 1.59 0.81 0.97 0.00 0.00 63 E 8.73 3.98 0.00 2.14 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 0.00 2.38 2.38 0.00 64 F 8.57 4.20 0.00 3.23 3.24 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 65 I 8.23 3.44 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.80 0.89 0.00 0.00 66 T 7.85 3.80 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 67 E 8.02 3.90 0.00 2.18 2.01 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 2.30 2.34 0.00 68 M 7.58 3.84 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 69 T 8.02 3.93 4.26 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 1.11 0.00 0.00 70 H 8.30 4.15 0.00 3.29 3.31 0.00 5.61 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 71 K 8.35 3.78 0.00 2.03 1.76 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.49 7.81 72 A 8.60 4.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.19 4.12 0.00 1.99 2.34 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.59 0.00 74 S 7.37 4.27 0.00 3.95 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 75 I 7.36 4.00 1.87 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 1.38 0.74 1.03 0.00 0.00