NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 84 M 4.4626 8.3044 118.7935 57.0717 32.8524 173.5104 85 D 4.6833 7.8792 122.5752 55.8938 41.8545 173.1127 86 V 4.2209 7.7328 126.5473 62.1423 33.9570 174.3517 87 T 4.9126 7.9479 117.9970 58.8339 72.8065 173.2256 88 C 4.5861 9.5388 119.0833 59.9969 40.2549 175.3261 89 N 4.3427 8.0671 116.7696 54.0804 39.1226 174.1684 90 I 4.3489 7.6720 111.8387 60.2900 39.0462 175.4466 91 K 3.6446 9.2690 124.7866 57.1467 29.8336 174.8628 92 N 4.7846 8.3716 112.3242 53.7783 37.2756 174.6543 93 G 3.8940 8.8549 100.7123 45.9631 0.0000 175.4104 94 R 3.9779 8.3784 115.7100 56.2753 28.3376 175.7942 95 C 4.5939 8.2677 117.1296 56.4388 40.7367 173.4768 96 E 3.9129 9.1223 126.6376 58.5578 29.5099 176.4133 97 Q 4.0580 7.5036 113.2664 54.7772 30.8963 175.8141 98 F 5.2460 6.5943 119.1018 56.4674 42.4861 174.6651 99 C 5.5017 8.8207 120.9433 54.9805 44.8712 173.2515 100 K 4.7631 8.6097 122.5036 54.7098 36.3513 175.3005 101 N 4.7474 9.0790 125.3790 54.2718 39.0844 175.9364 102 S 4.7561 8.6983 123.1967 57.2964 64.7857 169.7689 103 A 4.2981 8.5490 121.7490 54.6112 20.1945 177.1185 104 D 4.2124 8.7892 117.4734 54.6213 36.5059 173.5604 105 N 4.2584 7.9537 117.0441 54.1822 37.8971 173.1691 106 K 4.8109 7.3563 115.0565 55.2793 37.3478 177.0345 107 V 4.8840 8.2927 114.3163 59.6600 36.2526 175.2581 108 V 4.3197 8.7844 122.9633 61.4805 33.3500 174.5326 109 C 5.3007 8.8413 125.6470 57.0417 42.7210 172.8278 110 S 4.7774 8.8599 114.2327 58.0248 66.4598 172.2000 111 C 5.1663 8.6174 117.0113 55.1635 38.6594 173.5993 112 T 4.6485 9.1023 115.2872 60.8274 67.9818 173.4510 113 E 4.1394 8.7068 123.3454 58.5180 29.8887 178.1764 114 G 3.8463 9.2906 110.7404 45.0531 0.0000 172.0382 115 Y 5.2093 7.6174 117.8641 56.7720 41.6874 175.9609 116 R 4.7714 8.8888 120.2800 54.6382 34.1209 175.2905 117 L 4.4864 8.7385 125.1019 54.6509 42.8023 176.6275 118 A 4.2418 9.3738 131.4798 52.3157 19.4230 178.4763 119 E 3.9434 8.9099 114.5178 59.3201 29.3247 175.5936 120 N 4.4968 8.1653 114.1482 53.2067 37.4168 175.5793 121 Q 3.6836 8.2122 116.4125 56.8215 27.4276 173.8999 122 K 4.4651 7.9559 116.2877 57.7192 35.7555 177.0499 123 S 4.8752 8.5314 115.1514 58.0170 64.8415 172.7101 124 C 5.4284 8.8356 120.9896 55.9350 43.7198 174.3606 125 E 5.0599 9.0286 120.6102 53.6815 33.8321 170.8219 126 P 4.1955 0.0000 0.0000 63.2934 31.5687 176.0296 127 A 4.6725 8.8555 124.5916 51.7706 20.1876 176.1501 128 V 4.4565 7.2062 107.0676 58.4439 35.9880 173.7388 129 P 4.0710 0.0000 0.0000 65.3035 31.2581 177.4139 130 F 4.7061 7.5143 115.3899 54.3104 39.3743 172.3853 131 P 4.2566 0.0000 0.0000 61.9201 32.0591 177.1881 132 C 4.1985 8.5985 114.9078 59.4000 29.9701 174.0155 133 G 4.1824 8.8961 107.2482 46.2255 0.0000 173.4591 134 R 4.6925 7.4876 116.7635 53.8670 33.1729 175.4237 135 V 4.0656 8.3318 121.7743 62.4369 32.2969 175.6805 136 S 4.6854 8.4905 118.4796 57.6171 64.3178 174.0151 137 V 3.8050 7.8528 125.9223 63.4849 31.3025 175.4558 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 84 M 8.30 4.46 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 85 D 7.88 4.68 0.00 2.70 2.86 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 86 V 7.73 4.22 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 0.85 0.00 0.00 0.93 0.00 0.00 87 T 7.95 4.91 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 1.21 0.00 0.00 88 C 9.54 4.59 0.00 2.94 3.18 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 89 N 8.07 4.34 0.00 2.67 2.83 0.00 0.00 6.79 7.94 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 90 I 7.67 4.35 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 1.45 0.67 0.91 0.00 0.00 91 K 9.27 3.64 0.00 1.97 1.89 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.40 7.81 92 N 8.37 4.78 0.00 2.93 2.80 0.00 0.00 7.56 7.92 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 93 G 8.85 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.38 3.98 0.00 1.94 2.09 0.00 3.16 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 1.54 1.58 0.00 95 C 8.27 4.59 0.00 3.00 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 96 E 9.12 3.91 0.00 1.80 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 2.16 2.19 0.00 97 Q 7.50 4.06 0.00 1.48 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.53 0.00 0.00 0.00 0.00 0.00 1.73 1.93 0.00 98 F 6.59 5.25 0.00 3.08 2.84 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 99 C 8.82 5.50 0.00 3.04 2.94 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 0.00 100 K 8.61 4.76 0.00 1.83 1.64 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.35 1.28 7.81 101 N 9.08 4.75 0.00 2.61 2.77 0.00 0.00 6.92 7.57 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 0.00 102 S 8.70 4.76 0.00 3.38 3.68 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 0.00 103 A 8.55 4.30 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 0.00 104 D 8.79 4.21 0.00 2.88 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.95 4.26 0.00 2.81 2.86 0.00 0.00 7.08 6.68 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 0.00 106 K 7.36 4.81 0.00 1.70 1.62 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.65 7.81 107 V 8.29 4.88 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 0.74 0.00 0.00 0.94 0.00 0.00 108 V 8.78 4.32 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 1.00 0.00 0.00 0.94 0.00 0.00 109 C 8.84 5.30 0.00 2.99 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.86 4.78 0.00 3.98 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 0.00 111 C 8.62 5.17 0.00 2.90 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 0.00 112 T 9.10 4.65 4.53 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 1.39 0.00 0.00 113 E 8.71 4.14 0.00 2.08 1.96 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 2.40 2.33 0.00 114 G 9.29 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 0.00 115 Y 7.62 5.21 0.00 3.07 2.82 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 0.00 116 R 8.89 4.77 0.00 1.44 1.71 0.00 3.27 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 117 L 8.74 4.49 0.00 1.67 1.64 0.97 1.10 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 0.00 118 A 9.37 4.24 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 0.00 119 E 8.91 3.94 0.00 2.00 1.90 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 2.23 1.88 0.00 120 N 8.17 4.50 0.00 2.93 3.08 0.00 0.00 6.27 7.33 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 0.00 121 Q 8.21 3.68 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 122 K 7.96 4.47 0.00 1.64 1.95 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.51 7.81 123 S 8.53 4.88 0.00 3.92 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 0.00 124 C 8.84 5.43 0.00 2.78 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 E 9.03 5.06 0.00 1.62 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 126 P 0.00 4.20 0.00 1.83 1.86 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 127 A 8.86 4.67 1.20 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 0.00 0.00 128 V 7.21 4.46 2.03 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 0.72 0.00 0.00 0.87 0.00 0.00 129 P 0.00 4.07 0.00 2.06 1.89 0.00 3.60 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 2.03 2.04 0.00 130 F 7.51 4.71 0.00 2.97 2.95 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 0.00 0.00 0.00 131 P 0.00 4.26 0.00 1.27 1.54 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.68 0.00 132 C 8.60 4.20 0.00 3.22 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 0.00 133 G 8.90 4.18 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 0.00 134 R 7.49 4.69 0.00 1.95 1.88 0.00 3.37 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 135 V 8.33 4.07 2.11 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 0.85 0.00 0.00 0.96 0.00 0.00 136 S 8.49 4.69 0.00 4.03 3.95 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 0.00 0.00 0.00 137 V 7.85 3.80 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 0.79 0.00 0.00 0.96 0.00 0.00