NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 54 D 4.6083 8.3649 120.1904 53.9178 42.6467 176.9504 55 L 3.9733 8.0961 119.9066 55.6264 42.0966 176.1987 56 E 3.9692 8.2997 115.7712 59.1706 29.9414 177.1443 57 D 4.3997 7.5976 119.5749 52.7678 40.2920 176.5119 58 L 4.4652 8.3699 124.4530 54.1974 39.4991 174.6097 59 G 3.8719 8.2996 107.7745 46.4519 0.0000 170.9025 60 N 3.9874 8.5219 120.2920 54.7272 37.2159 173.7917 61 T 5.1782 9.0571 113.8309 58.5779 69.4319 174.2099 62 T 3.9662 7.4006 112.8199 62.1665 68.5026 172.9428 63 G 4.5006 7.4517 112.1762 47.4050 0.0000 173.9358 64 Q 4.0332 8.0901 116.4452 55.7372 25.5956 175.3784 65 W 5.2474 8.3416 124.0329 56.6403 30.8589 173.6117 66 D 4.4628 8.1557 121.3184 54.2820 42.2150 175.9810 67 S 3.8434 8.5158 118.6487 59.7697 62.0708 172.8573 68 Y 5.5953 7.4600 114.3875 59.6142 40.1136 178.7894 69 G 3.5664 8.8460 113.3807 45.8183 0.0000 173.2532 70 S 3.9540 9.4185 116.9071 61.4419 62.5353 174.4324 71 D 4.4001 7.7431 117.8719 57.0080 41.0499 177.1368 72 A 4.6935 7.3891 120.5563 50.4337 19.5270 173.8695 73 P 4.4132 0.0000 0.0000 64.4300 32.3829 178.1629 74 S 4.6180 7.4011 112.6782 55.6774 66.8061 171.9349 75 P 4.3651 0.0000 0.0000 62.8382 31.6138 176.1928 76 Y 4.2433 8.5440 120.6943 60.4574 38.1967 175.6832 77 N 5.1006 7.7402 116.3596 50.7109 42.1593 172.2072 78 P 4.4043 0.0000 0.0000 62.6418 31.8959 176.9350 79 L 3.8411 8.6075 122.0289 57.9738 42.0987 177.2555 80 Q 3.7245 7.2733 115.7893 56.7273 28.4942 176.2131 81 S 4.5098 8.6236 117.7572 57.2731 63.4617 173.8297 82 K 3.8468 8.6111 127.7009 57.4497 29.5462 176.2492 83 L 4.0407 7.4903 118.7975 56.6913 41.8118 178.3637 84 F 5.1539 7.5981 116.1728 57.7137 39.7724 177.1557 85 E 4.0912 8.6050 118.8113 60.0380 29.0642 178.9129 86 T 4.0231 7.9550 115.6206 65.4053 68.9120 175.5106 87 F 3.8994 12.0000 122.9897 60.7140 39.3239 175.0269 88 A 4.5190 8.1950 123.5277 50.5083 19.2998 176.7741 89 A 4.1860 8.6562 126.8406 55.0064 18.8603 177.5252 90 P 4.2486 0.0000 0.0000 65.5525 31.4693 177.4481 91 F 4.4550 8.1503 114.9323 59.6161 39.4643 177.7207 92 T 4.1219 7.9190 116.4310 66.0844 68.2720 176.3513 93 K 4.1347 9.6464 119.9144 58.8137 31.8930 178.9175 94 R 3.9936 8.2194 118.5192 58.4160 30.1139 176.7311 95 G 4.0796 7.5722 104.7603 45.4887 0.0000 172.6922 96 L 4.1758 8.1407 121.9192 54.0195 42.4661 176.3307 97 L 4.5779 7.5007 123.4534 53.9149 44.0227 175.1482 98 L 4.4129 7.9026 121.7385 55.4830 47.7896 176.0808 99 K 4.4649 8.0880 120.5010 56.3479 31.3942 182.7195 100 F 3.1897 9.7057 127.4770 59.0630 40.0812 176.9070 101 L 3.9628 5.9683 126.5475 58.8121 42.6698 178.1979 102 I 3.7152 8.9573 120.3482 64.3353 37.0645 178.1705 103 L 4.0656 7.9784 120.7943 58.0293 41.9398 178.9193 104 G 3.8612 8.3956 106.0162 47.5892 0.0000 175.6276 105 G 3.8485 8.8136 109.3887 47.4628 0.0000 175.9496 106 G 3.9401 8.0313 108.3410 46.7244 0.0000 176.0295 107 S 4.2004 8.4306 117.6024 61.5488 63.0310 176.7444 108 T 3.8626 8.1162 113.6971 64.3595 68.5625 175.9369 109 L 3.9040 8.3805 124.1604 57.8452 42.0715 178.9511 110 A 4.0116 8.0656 120.3830 55.1128 18.0650 178.9620 111 Y 4.1090 8.3060 117.5800 60.9540 39.0801 177.8406 112 L 4.3357 7.9707 117.4483 56.3631 42.1161 178.6609 113 S 4.4397 8.1026 114.9713 59.6673 62.8700 174.4804 114 A 4.6716 7.6345 123.8919 50.5753 20.6430 175.5361 115 T 4.3280 8.6572 110.0994 62.4836 72.2625 172.6559 116 A 3.9776 8.2547 128.0129 53.0836 15.5175 180.4130 117 S 3.9436 7.6191 110.2736 62.8694 64.0373 175.9170 118 G 4.1143 7.8331 108.7490 43.7923 0.0000 174.9418 119 D 4.2131 9.3049 124.1216 54.0996 39.4240 174.8675 120 I 3.0132 9.1263 120.9909 62.3640 36.0341 171.9999 121 L 4.2506 8.2177 117.0158 53.3824 42.0987 175.7764 122 P 4.4022 0.0000 0.0000 62.3210 30.8056 176.2061 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 54 D 8.36 4.61 0.00 2.65 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 55 L 8.10 3.97 0.00 1.83 1.69 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.30 3.97 0.00 2.06 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 0.00 2.28 2.32 0.00 57 D 7.60 4.40 0.00 2.92 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.47 0.00 1.66 1.61 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.30 3.87 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 0.00 0.00 0.00 60 N 8.52 3.99 0.00 2.87 2.73 0.00 0.00 6.73 7.22 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 61 T 9.06 5.18 4.15 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 1.65 0.00 0.00 62 T 7.40 3.97 4.23 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 1.23 0.00 0.00 63 G 7.45 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.09 4.03 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.23 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 65 W 8.34 5.25 0.00 3.17 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 66 D 8.16 4.46 0.00 2.76 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.52 3.84 0.00 3.44 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.46 5.60 0.00 2.90 2.81 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 0.00 0.00 0.00 0.00 69 G 8.85 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 9.42 3.95 0.00 3.69 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 7.74 4.40 0.00 2.64 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 72 A 7.39 4.69 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.41 0.00 2.12 2.14 0.00 3.59 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 74 S 7.40 4.62 0.00 3.67 3.66 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 0.00 0.00 0.00 0.00 75 P 0.00 4.37 0.00 2.05 2.00 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 76 Y 8.54 4.24 0.00 2.97 2.90 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 77 N 7.74 5.10 0.00 2.67 2.64 0.00 0.00 6.96 7.69 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 78 P 0.00 4.40 0.00 2.36 2.18 0.00 3.79 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 2.09 1.98 0.00 79 L 8.61 3.84 0.00 1.60 1.71 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 7.27 3.72 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.42 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 81 S 8.62 4.51 0.00 3.83 3.73 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 82 K 8.61 3.85 0.00 1.89 1.85 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.45 7.81 83 L 7.49 4.04 0.00 1.08 1.21 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 84 F 7.60 5.15 0.00 3.14 3.06 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 0.00 85 E 8.61 4.09 0.00 2.12 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 2.36 2.43 0.00 86 T 7.96 4.02 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 1.17 0.00 0.00 87 F 12.00 3.90 0.00 3.15 3.21 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 0.00 88 A 8.20 4.52 1.39 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 0.00 0.00 89 A 8.66 4.19 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 90 P 0.00 4.25 0.00 2.09 2.14 0.00 3.61 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 2.08 2.15 0.00 91 F 8.15 4.45 0.00 3.01 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 7.92 4.12 4.39 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 1.33 0.00 0.00 93 K 9.65 4.13 0.00 1.69 1.81 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.59 7.81 94 R 8.22 3.99 0.00 1.75 1.81 0.00 3.29 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 95 G 7.57 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 0.00 0.00 0.00 0.00 96 L 8.14 4.18 0.00 1.55 1.54 0.88 0.84 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 97 L 7.50 4.58 0.00 1.09 1.24 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.90 4.41 0.00 1.67 1.56 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.09 4.46 0.00 1.99 1.09 0.00 1.72 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.55 7.81 100 F 9.71 3.19 0.00 3.12 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 0.00 101 L 5.97 3.96 0.00 1.87 1.91 0.98 1.28 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 0.00 102 I 8.96 3.72 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.23 0.94 0.00 0.00 103 L 7.98 4.07 0.00 1.74 1.62 0.91 0.99 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 0.00 104 G 8.40 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 0.00 105 G 8.81 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.03 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.43 4.20 0.00 4.09 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 0.00 108 T 8.12 3.86 4.23 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 1.19 0.00 0.00 109 L 8.38 3.90 0.00 1.90 1.75 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.07 4.01 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 8.31 4.11 0.00 3.10 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 0.00 112 L 7.97 4.34 0.00 1.58 1.63 0.66 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.10 4.44 0.00 4.04 3.97 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 0.00 114 A 7.63 4.67 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 0.00 115 T 8.66 4.33 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 1.43 0.00 0.00 116 A 8.25 3.98 1.24 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 0.00 117 S 7.62 3.94 0.00 4.01 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 0.00 118 G 7.83 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 D 9.30 4.21 0.00 2.95 2.23 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 0.00 120 I 9.13 3.01 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 1.41 0.49 0.91 0.00 0.00 121 L 8.22 4.25 0.00 1.65 1.64 0.92 1.15 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 0.00 122 P 0.00 4.40 0.00 2.05 1.93 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 2.03 2.14 0.00