NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 78 P 4.3925 0.0000 0.0000 62.4263 33.0639 176.7401 79 S 4.2311 7.6400 112.6823 57.5006 66.4130 176.7238 80 D 3.3700 8.6121 117.4929 54.0937 43.2593 178.7029 81 F 4.4682 8.3023 121.4487 57.8389 40.1159 174.5180 82 E 4.2690 8.7113 126.9431 56.0840 30.2418 175.0984 83 H 4.9476 8.4464 121.4878 54.7739 33.0833 172.4567 84 T 4.6487 8.3449 110.6707 59.7724 70.8188 173.4022 85 I 4.4978 8.1527 123.6253 59.3313 40.7110 173.7097 86 H 4.7673 8.5645 126.5555 54.0447 31.3417 174.4919 87 V 4.0503 8.1427 126.2898 63.5595 32.1379 174.9103 88 G 4.5493 9.4593 113.0806 43.7026 0.0000 170.8730 89 F 5.1671 8.6533 121.2689 56.2897 42.2155 173.6561 90 D 4.3666 8.4165 127.1230 52.5786 40.8207 176.5678 91 A 3.8997 8.3804 130.1113 55.0733 18.8361 178.9385 92 V 3.6812 7.7826 114.8741 65.9524 31.6916 176.9403 93 T 4.0642 8.1440 107.4880 61.1323 69.3983 174.3978 94 G 3.8595 7.7083 110.5244 46.3567 0.0000 173.4612 95 E 4.7394 6.6763 116.0602 54.2728 34.3807 176.0850 96 F 5.0299 8.9849 121.8895 57.6785 39.8876 174.8259 97 T 4.5738 9.5710 112.5018 60.2315 72.1351 174.0993 98 G 3.8514 8.7978 109.3089 46.6832 0.0000 173.1411 99 M 4.1991 8.1305 119.4443 53.7447 33.0181 174.8517 100 P 4.3152 0.0000 0.0000 62.2962 33.4024 176.7014 101 E 3.9201 8.7515 119.4699 60.3013 29.1403 179.3273 102 Q 4.0292 8.2112 118.8469 58.4141 28.8789 178.7836 103 W 4.3202 8.6257 118.7752 60.2038 28.8666 178.3619 104 A 4.1275 8.2984 120.3505 55.1344 17.5998 180.0287 105 R 3.9335 8.0380 116.7040 59.5007 30.2192 179.2736 106 L 3.9464 8.2053 118.9778 57.3708 41.2816 179.3409 107 L 3.8303 7.7364 119.5902 58.4868 42.4864 178.9739 108 Q 4.1768 7.8758 117.8435 58.8267 28.3889 178.6557 109 T 4.1329 7.5339 110.6580 64.2986 69.1386 176.4852 110 S 4.2091 7.8999 115.0929 58.6662 63.1361 174.1932 111 N 4.2090 7.5616 117.3460 54.2122 36.1873 174.2135 112 I 3.9149 7.2664 118.6571 61.1542 36.7889 176.9782 113 T 4.1381 9.1579 117.5655 61.2590 70.5791 175.3337 114 K 3.9868 8.5377 121.1536 59.7304 32.0374 179.5031 115 S 4.1114 8.0426 112.8080 61.4421 62.5013 175.8394 116 E 3.9463 8.1957 121.2229 59.4577 28.9822 179.2809 117 Q 3.9575 8.0756 116.9963 59.0415 28.9483 178.6270 118 K 4.0735 8.2798 119.3824 59.3650 32.2148 178.3219 119 K 4.1517 7.9963 119.6071 58.6466 33.8918 177.1427 120 N 4.9604 7.9319 116.4802 50.3246 40.3059 172.2735 121 P 4.1647 0.0000 0.0000 65.7926 31.3413 178.2734 122 Q 3.9645 8.0257 118.3272 58.9889 28.9656 177.9495 123 A 3.8646 7.9961 121.2467 55.2459 18.4644 179.7953 124 V 3.4378 7.6122 116.3361 66.0682 31.6080 178.3530 125 L 3.7558 8.0528 118.8134 57.6814 41.5042 179.0922 126 D 4.3673 8.8076 119.5172 57.4201 40.7381 179.0552 127 V 3.6653 8.0083 118.9340 65.6444 31.4733 178.1887 128 L 3.5883 7.3772 118.8470 57.3316 41.0929 178.7065 129 E 3.8024 7.7710 119.2540 59.1168 29.7639 178.2535 130 F 4.0065 8.3200 120.4902 61.7218 39.1664 176.5877 131 Y 3.9807 7.8435 117.3090 60.9150 38.8006 177.4141 132 N 4.5903 8.1038 114.0671 54.2746 38.9182 176.3517 133 S 4.5181 7.5775 116.7187 59.3715 64.2341 174.8755 134 K 4.2631 7.2684 122.1893 55.7762 31.6292 177.6076 135 K 4.4990 7.5769 115.0786 56.3792 36.3744 177.4167 136 T 4.2492 7.6787 108.8510 62.9185 69.9230 175.3003 137 S 4.1802 7.7184 117.8740 57.8849 63.7317 173.2779 138 N 4.9763 8.3169 118.3189 51.2068 40.6987 175.8269 139 S 4.0187 8.7920 115.8980 61.6053 62.3612 173.3436 140 Q 3.9972 7.3853 117.9677 56.1462 27.7954 175.7148 141 K 4.5263 8.1125 123.3448 55.2346 33.5235 175.1352 142 Y 4.7243 8.2098 121.1624 55.7377 41.9598 175.0116 143 M 4.0447 8.7426 120.4890 55.8718 32.4504 176.3188 144 S 4.8577 8.1874 118.4994 56.7250 65.3179 173.5194 145 F 4.8205 8.7318 122.4716 55.5420 41.8952 174.9765 146 T 4.3946 8.2973 112.9051 60.8489 70.3500 174.5681 147 D 4.5259 8.4769 119.9020 53.6722 39.7724 176.2003 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 78 P 0.00 4.39 0.00 2.04 2.13 0.00 3.59 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 79 S 7.64 4.23 0.00 3.82 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.61 3.37 0.00 2.02 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.30 4.47 0.00 3.15 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 82 E 8.71 4.27 0.00 1.93 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 2.26 2.32 0.00 83 H 8.45 4.95 0.00 3.17 3.15 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.34 4.65 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 1.22 0.00 0.00 85 I 8.15 4.50 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.24 0.88 0.00 0.00 86 H 8.56 4.77 0.00 3.14 3.18 0.00 5.99 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.14 4.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.88 0.00 0.00 88 G 9.46 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.65 5.17 0.00 2.91 2.91 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 90 D 8.42 4.37 0.00 2.50 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 0.00 0.00 0.00 91 A 8.38 3.90 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 3.68 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.89 0.00 0.00 93 T 8.14 4.06 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 1.17 0.00 0.00 94 G 7.71 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 95 E 6.68 4.74 0.00 1.74 1.76 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 2.28 2.44 0.00 96 F 8.98 5.03 0.00 3.12 3.17 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 97 T 9.57 4.57 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 98 G 8.80 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 99 M 8.13 4.20 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.78 0.00 100 P 0.00 4.32 0.00 1.98 1.81 0.00 3.50 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 0.00 101 E 8.75 3.92 0.00 2.23 2.30 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 2.36 2.46 0.00 102 Q 8.21 4.03 0.00 2.44 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.86 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 103 W 8.63 4.32 0.00 3.45 3.19 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 0.00 104 A 8.30 4.13 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.04 3.93 0.00 2.24 2.02 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 106 L 8.21 3.95 0.00 1.55 1.48 0.85 0.69 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 0.00 107 L 7.74 3.83 0.00 1.71 1.86 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 7.88 4.18 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 109 T 7.53 4.13 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 1.26 0.00 0.00 110 S 7.90 4.21 0.00 3.96 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.56 4.21 0.00 2.95 2.98 0.00 0.00 6.98 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 0.00 112 I 7.27 3.91 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.67 0.92 0.00 0.00 113 T 9.16 4.14 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 1.28 0.00 0.00 114 K 8.54 3.99 0.00 1.90 1.95 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.60 7.81 115 S 8.04 4.11 0.00 3.90 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 0.00 116 E 8.20 3.95 0.00 2.23 1.98 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 2.32 2.36 0.00 117 Q 8.08 3.96 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.96 0.00 0.00 0.00 0.00 0.00 2.62 2.70 0.00 118 K 8.28 4.07 0.00 1.97 1.90 0.00 1.85 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.67 7.81 119 K 8.00 4.15 0.00 1.95 1.90 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.47 7.81 120 N 7.93 4.96 0.00 2.71 2.57 0.00 0.00 6.97 7.30 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 0.00 121 P 0.00 4.16 0.00 1.94 0.60 0.00 3.60 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.68 0.00 122 Q 8.03 3.96 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.71 0.00 123 A 8.00 3.86 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.61 3.44 2.33 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 0.90 0.00 0.00 0.99 0.00 0.00 125 L 8.05 3.76 0.00 1.94 1.75 1.14 0.75 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 0.00 126 D 8.81 4.37 0.00 2.81 2.69 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 0.00 127 V 8.01 3.67 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 0.94 0.00 0.00 0.84 0.00 0.00 128 L 7.38 3.59 0.00 0.93 0.13 0.53 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 129 E 7.77 3.80 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 130 F 8.32 4.01 0.00 3.27 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 0.00 131 Y 7.84 3.98 0.00 3.08 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 0.00 132 N 8.10 4.59 0.00 3.04 3.03 0.00 0.00 7.10 7.42 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 0.00 133 S 7.58 4.52 0.00 3.92 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 0.00 134 K 7.27 4.26 0.00 1.60 1.57 0.00 1.39 0.00 0.00 1.18 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.73 0.89 7.81 135 K 7.58 4.50 0.00 1.60 1.70 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.07 1.22 7.81 136 T 7.68 4.25 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 1.19 0.00 0.00 137 S 7.72 4.18 0.00 3.97 3.90 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 0.00 138 N 8.32 4.98 0.00 2.77 2.75 0.00 0.00 6.54 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 0.00 139 S 8.79 4.02 0.00 3.81 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 0.00 140 Q 7.39 4.00 0.00 2.42 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.51 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 141 K 8.11 4.53 0.00 1.71 1.63 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.47 7.81 142 Y 8.21 4.72 0.00 2.95 2.91 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 0.00 143 M 8.74 4.04 0.00 1.45 2.16 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.46 0.00 144 S 8.19 4.86 0.00 3.76 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 0.00 145 F 8.73 4.82 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 0.00 146 T 8.30 4.39 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 147 D 8.48 4.53 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00