NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 92 E 4.3100 8.4444 121.4720 56.3107 29.9412 174.6905 93 N 4.8152 8.0404 125.6422 49.3745 39.1071 171.8887 94 P 4.2483 0.0000 0.0000 65.3885 32.7269 177.2566 95 S 4.0698 8.0312 111.2496 61.4181 62.3042 176.0712 96 S 4.2576 8.4175 115.8698 61.4940 62.1869 175.8183 97 Q 3.9683 8.3615 122.4506 59.1970 28.7054 177.6497 98 Y 3.8340 8.1434 120.5221 60.6559 38.8902 178.2308 99 W 4.3010 8.1256 119.7617 59.4151 29.0817 178.5026 100 K 4.0179 8.5062 120.2163 59.5581 31.6094 178.7796 101 E 3.9016 8.1031 118.8912 59.3040 29.2821 179.4204 102 V 3.4292 7.6565 118.1188 65.8485 31.4686 177.8900 103 A 4.0086 8.4994 120.9211 55.2735 18.2540 179.2815 104 E 3.8568 8.2438 117.8596 59.0722 29.7153 178.8901 105 K 3.9213 8.2051 119.8855 59.6646 32.2171 179.0838 106 R 3.9808 8.3425 118.6739 59.0609 29.9321 178.9991 107 R 3.9157 8.2392 118.8796 59.4256 30.0994 178.7516 108 K 4.0701 8.2687 118.0708 59.4334 31.9759 179.2421 109 A 4.0202 7.9391 120.6120 54.9792 18.2736 179.3861 110 L 3.8879 8.3456 119.3149 58.4390 42.1496 178.5297 111 Y 4.1114 8.5290 119.8348 60.8501 38.7469 177.9804 112 E 3.7495 8.4532 119.2378 59.3623 29.5098 179.2695 113 A 3.9861 8.2185 120.9207 55.0431 18.4113 179.7432 114 L 3.8998 8.0378 117.7562 57.5590 41.6740 179.5336 115 K 3.7525 7.8426 119.7314 59.3945 32.0398 178.5295 116 E 3.8608 8.1590 119.6181 59.1873 29.5394 178.1007 117 N 4.2257 8.2997 117.2944 56.7598 38.9966 176.4464 118 E 3.9503 8.2481 120.6287 59.0599 29.6525 178.6930 119 K 3.9292 7.9341 119.7495 59.5329 32.2621 178.8388 120 L 3.9539 8.2769 119.6887 58.0798 41.6077 179.2602 121 H 4.1828 8.1936 116.2934 58.6466 28.6476 177.8054 122 K 3.9871 8.0812 121.4989 59.3412 31.9517 178.5610 123 E 4.4159 8.3759 121.2737 58.9532 29.5098 178.9097 124 I 3.7003 7.9538 119.9213 64.1577 37.2091 178.0987 125 E 3.9217 8.0481 120.0684 59.3820 29.5045 178.9226 126 Q 4.0267 8.1780 118.1238 58.9565 28.7741 178.9097 127 K 4.0820 8.3632 119.6660 59.3252 32.0741 179.2472 128 D 4.3871 8.4136 119.6650 57.3103 40.6343 178.5217 129 N 4.3754 8.1191 116.8094 56.1401 38.5057 177.1083 130 E 3.9374 8.1364 120.5836 59.2934 29.6683 178.9225 131 I 3.6985 7.9418 119.6636 64.3371 37.1587 178.3080 132 A 3.9668 8.0671 121.6262 55.0512 18.2099 179.6738 133 R 3.8195 8.3755 117.6582 59.6377 30.1115 178.8220 134 L 4.0366 8.3732 119.2341 57.7176 41.6189 179.6744 135 K 3.9738 8.3380 118.7439 59.0963 31.9175 179.4376 136 K 3.9186 8.0621 120.0829 59.5006 32.1089 178.6196 137 E 3.9528 8.2211 119.6612 59.3577 29.4619 178.5184 138 N 4.3356 8.4798 116.8801 56.0167 38.5728 177.3471 139 K 3.9341 8.0361 121.1219 59.4808 31.7766 178.8215 140 E 3.9816 8.1789 118.9017 59.4536 29.4264 179.3599 141 L 4.0204 8.3195 119.1747 57.6460 41.4228 179.3308 142 A 4.0188 8.0613 120.1715 55.2332 18.4427 179.1768 143 E 4.8786 8.0116 117.9154 59.0982 29.5337 179.7841 144 V 3.5961 7.5502 117.1723 65.9663 31.6884 177.8457 145 A 4.1707 8.1641 119.7038 54.3667 18.1225 179.2068 146 E 3.9315 7.8981 117.6461 59.4807 29.4606 178.6278 147 H 4.2820 8.1771 117.7945 59.0614 29.7491 177.4800 148 V 3.7057 7.8753 114.5128 64.1685 31.0340 178.2031 149 Q 3.9092 7.8642 116.7753 58.5194 28.2195 176.7181 150 Y 4.7901 7.5512 116.4073 57.7616 38.1222 174.7555 151 M 4.7738 7.7372 119.2420 52.8003 35.1675 175.8483 152 A 4.1788 8.4897 121.5677 52.7749 18.5005 177.6354 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 92 E 8.44 4.31 0.00 1.95 1.99 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 2.20 2.31 0.00 93 N 8.04 4.82 0.00 2.81 2.66 0.00 0.00 7.09 6.82 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 94 P 0.00 4.25 0.00 2.18 2.09 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 95 S 8.03 4.07 0.00 3.93 4.09 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 0.00 0.00 0.00 0.00 96 S 8.42 4.26 0.00 4.12 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.36 3.97 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 98 Y 8.14 3.83 0.00 2.99 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 99 W 8.13 4.30 0.00 3.54 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 0.00 100 K 8.51 4.02 0.00 2.02 2.05 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.51 7.81 101 E 8.10 3.90 0.00 2.00 1.85 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 2.28 2.43 0.00 102 V 7.66 3.43 2.32 0.00 0.00 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 0.19 0.00 0.00 103 A 8.50 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 0.00 104 E 8.24 3.86 0.00 2.10 2.07 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 2.29 2.34 0.00 105 K 8.21 3.92 0.00 1.95 1.99 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 106 R 8.34 3.98 0.00 2.02 1.99 0.00 3.38 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.82 0.00 107 R 8.24 3.92 0.00 1.97 2.08 0.00 3.08 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 108 K 8.27 4.07 0.00 1.88 1.89 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.65 7.81 109 A 7.94 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.35 3.89 0.00 1.85 1.98 0.94 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 0.00 111 Y 8.53 4.11 0.00 3.12 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 0.00 112 E 8.45 3.75 0.00 2.19 1.95 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 2.63 2.51 0.00 113 A 8.22 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 3.90 0.00 1.75 1.67 0.96 0.52 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 0.00 115 K 7.84 3.75 0.00 1.35 1.69 0.00 1.50 0.00 0.00 1.51 0.00 0.00 2.75 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.32 1.29 7.81 116 E 8.16 3.86 0.00 2.03 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 2.27 2.28 0.00 117 N 8.30 4.23 0.00 2.88 2.97 0.00 0.00 6.86 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 0.00 118 E 8.25 3.95 0.00 2.07 2.08 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 2.30 2.31 0.00 119 K 7.93 3.93 0.00 1.85 1.91 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.46 7.81 120 L 8.28 3.95 0.00 1.75 1.62 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 121 H 8.19 4.18 0.00 3.33 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.08 3.99 0.00 1.86 1.96 0.00 1.63 0.00 0.00 1.57 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.44 7.81 123 E 8.38 4.42 0.00 2.20 2.06 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 2.30 2.20 0.00 124 I 7.95 3.70 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.64 0.95 0.00 0.00 125 E 8.05 3.92 0.00 2.18 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 2.31 2.35 0.00 126 Q 8.18 4.03 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 127 K 8.36 4.08 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.68 7.81 128 D 8.41 4.39 0.00 2.81 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 0.00 129 N 8.12 4.38 0.00 2.91 2.86 0.00 0.00 6.62 6.94 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 0.00 130 E 8.14 3.94 0.00 2.21 2.06 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 2.30 2.35 0.00 131 I 7.94 3.70 2.03 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 0.61 0.91 0.00 0.00 132 A 8.07 3.97 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 0.00 133 R 8.38 3.82 0.00 1.89 2.17 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 134 L 8.37 4.04 0.00 1.90 1.70 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.34 3.97 0.00 1.94 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 136 K 8.06 3.92 0.00 1.91 1.96 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.44 7.81 137 E 8.22 3.95 0.00 2.09 1.93 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 2.30 2.35 0.00 138 N 8.48 4.34 0.00 2.92 2.85 0.00 0.00 6.65 8.97 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 0.00 139 K 8.04 3.93 0.00 1.96 1.98 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 140 E 8.18 3.98 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 2.33 2.35 0.00 141 L 8.32 4.02 0.00 1.80 1.72 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.06 4.02 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 0.00 143 E 8.01 4.88 0.00 2.22 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 2.46 2.34 0.00 144 V 7.55 3.60 2.24 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 1.03 0.00 0.00 1.01 0.00 0.00 145 A 8.16 4.17 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 0.00 146 E 7.90 3.93 0.00 2.10 1.99 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 2.31 2.56 0.00 147 H 8.18 4.28 0.00 3.36 3.30 0.00 5.61 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 0.00 148 V 7.88 3.71 2.07 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 0.81 0.00 0.00 1.00 0.00 0.00 149 Q 7.86 3.91 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.17 0.00 0.00 0.00 0.00 0.00 1.75 1.16 0.00 150 Y 7.55 4.79 0.00 3.09 2.96 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 0.00 151 M 7.74 4.77 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.46 0.00 152 A 8.49 4.18 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