NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 96 G 3.7828 8.4545 108.0100 46.2448 0.0000 172.8374 97 S 5.0674 8.5606 118.3183 54.7212 66.4588 172.3889 98 L 4.6192 8.4375 117.6891 55.4805 42.2960 175.5035 99 C 3.5990 9.0248 124.7649 60.7740 31.7951 175.4396 100 G 3.8679 8.0178 107.5141 44.9275 0.0000 173.3912 101 R 3.8774 7.2419 120.3892 57.0330 31.0316 175.3985 102 V 4.3990 8.2548 126.0735 62.1648 32.6241 175.4327 103 F 4.6442 8.4235 126.0881 57.5173 40.2037 174.7521 104 K 4.7005 9.6735 122.7818 54.5935 34.2836 176.4201 105 V 3.6169 8.4079 122.6332 65.2373 31.4252 176.4650 106 G 3.9543 9.0660 116.5675 44.8684 0.0000 172.9030 107 E 4.1916 8.4272 122.5293 55.4687 30.7846 174.3417 108 P 4.6741 0.0000 0.0000 62.7643 32.2679 175.7169 109 T 4.7777 8.6595 114.1479 59.9628 71.9115 172.3724 110 Y 4.9912 9.1431 120.8656 56.2230 41.5569 174.4522 111 S 5.0056 9.0613 118.1880 56.6390 66.0947 171.9890 112 C 5.2195 9.0589 127.1146 58.0211 32.2264 174.5381 113 R 4.1429 8.8081 126.5094 59.0923 30.1007 178.2089 114 D 4.5995 8.4137 117.1971 56.8024 41.2253 176.8612 115 C 4.7455 8.1794 114.2583 59.7575 29.9768 173.6458 116 A 4.0707 8.0156 123.6705 51.7974 18.3733 177.9015 117 V 3.7146 7.9957 123.5763 65.2114 32.0773 175.5749 118 D 4.7787 7.3251 117.1729 50.6926 42.2489 174.0038 119 P 4.3689 0.0000 0.0000 64.8848 31.3102 177.2482 120 T 4.0753 8.0461 108.6486 62.9195 69.2783 174.5564 121 C 4.4353 7.7650 121.7065 59.8648 28.4007 173.6047 122 V 5.0139 9.4231 123.3549 60.0981 34.9194 174.2696 123 L 5.5007 10.0252 123.6662 53.0322 45.1522 176.3440 124 C 5.1473 8.8493 117.0585 57.8028 31.1983 174.3867 125 M 3.9521 9.0001 118.6646 59.1269 31.5797 177.9646 126 E 4.0885 8.1423 116.2172 58.9080 30.1113 178.7637 127 C 4.2660 8.0050 116.8410 62.6622 27.9755 175.2552 128 F 4.0751 8.2992 122.3889 61.3652 38.6573 176.9074 129 L 3.6075 7.6648 116.2299 56.1318 41.9140 177.7020 130 G 3.9569 7.7040 107.6342 44.8905 0.0000 172.9743 131 S 4.8472 7.0048 113.0928 55.4046 65.7658 174.0795 132 I 3.7181 7.7140 112.4318 63.4141 37.6870 177.4429 133 H 4.0962 7.3372 117.3519 57.3170 28.7277 177.4686 134 R 3.3893 7.4963 117.8631 58.8920 29.4336 177.4956 135 D 4.8585 7.5968 115.9758 53.1316 39.7401 180.0054 136 H 5.0707 7.8526 116.7252 54.4467 31.6936 174.2922 137 R 4.3016 8.8551 120.3490 56.9621 30.5470 175.9149 138 Y 5.5806 8.4283 121.2480 55.4273 42.1674 174.4200 139 R 4.4735 9.3504 119.0419 55.0152 33.9029 172.9514 140 M 4.7208 8.5862 126.1644 54.1556 33.6339 174.9313 141 T 4.6651 8.2574 115.3157 59.9834 72.8995 173.0714 142 T 4.4913 8.2473 119.7025 63.2073 69.4948 174.6104 143 S 4.0828 9.0684 121.8994 58.0662 63.4711 174.8146 144 G 3.7181 8.6542 114.0285 45.7627 0.0000 174.5880 145 G 3.8317 7.9716 106.6797 46.7723 0.0000 174.8224 146 G 3.5243 8.4240 109.5117 44.9831 0.0000 173.7021 147 G 3.6468 7.9944 107.8482 44.5780 0.0000 172.2394 148 F 5.0919 8.0899 115.4659 55.3269 43.0785 174.4270 149 C 4.6863 8.4697 123.3076 59.9278 31.9779 173.6180 150 D 4.8248 9.5801 126.7420 54.4136 40.6944 175.5136 151 C 4.3343 8.0182 121.7719 60.9305 31.7408 173.7316 152 G 3.2124 8.8042 116.6101 45.3314 0.0000 172.7974 153 D 4.4231 7.8773 118.7491 53.9055 40.2828 176.5310 154 T 3.9839 8.3561 122.3777 64.5298 67.6163 174.8063 155 E 4.2943 8.1068 118.0052 56.6144 30.1381 176.4154 156 A 4.1301 7.7317 121.7867 52.0634 19.6442 177.0542 157 W 5.6058 7.5758 114.6937 54.6836 32.6056 175.7589 158 K 4.2806 9.5804 123.0672 58.9004 31.8368 177.2518 159 E 4.7152 7.9026 115.2801 55.0615 33.8278 174.8523 160 G 3.9688 8.7605 107.5528 46.2359 0.0000 172.9263 161 P 3.9568 0.0000 0.0000 64.4807 32.2017 176.1774 162 Y 4.9066 7.2567 116.0447 56.1983 41.1255 174.5660 163 C 4.7087 8.2725 116.9099 56.1003 32.1309 174.5499 164 Q 3.9521 8.7316 118.3442 59.1694 28.1636 178.2962 165 K 3.9890 8.0907 118.6389 59.2829 32.6496 177.1183 166 H 4.7493 8.0261 114.2580 56.2830 29.7194 174.9985 167 E 3.5934 8.1713 122.2763 56.2726 29.3808 176.5672 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 96 G 8.45 3.78 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 0.00 0.00 0.00 97 S 8.56 5.07 0.00 3.36 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.44 4.62 0.00 1.57 1.65 0.87 0.58 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 99 C 9.02 3.60 0.00 2.71 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 0.00 100 G 8.02 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 0.00 101 R 7.24 3.88 0.00 1.98 1.66 0.00 2.97 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.51 0.00 102 V 8.25 4.40 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 0.80 0.00 0.00 1.08 0.00 0.00 103 F 8.42 4.64 0.00 3.32 2.89 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 0.00 104 K 9.67 4.70 0.00 1.87 1.75 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.40 7.81 105 V 8.41 3.62 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 0.76 0.00 0.00 0.93 0.00 0.00 106 G 9.07 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 0.00 0.00 0.00 107 E 8.43 4.19 0.00 2.34 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 2.52 2.41 0.00 108 P 0.00 4.67 0.00 2.07 1.87 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 109 T 8.66 4.78 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 110 Y 9.14 4.99 0.00 2.82 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 0.00 0.00 0.00 0.00 111 S 9.06 5.01 0.00 4.02 3.69 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 0.00 112 C 9.06 5.22 0.00 3.20 3.07 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 0.00 113 R 8.81 4.14 0.00 1.95 2.03 0.00 3.42 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.79 0.00 114 D 8.41 4.60 0.00 2.89 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.18 4.75 0.00 3.34 3.32 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 0.00 0.00 0.00 0.00 116 A 8.02 4.07 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 V 8.00 3.71 1.91 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 0.75 0.00 0.00 0.95 0.00 0.00 118 D 7.33 4.78 0.00 2.74 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 0.00 119 P 0.00 4.37 0.00 2.16 2.19 0.00 3.71 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 1.94 1.92 0.00 120 T 8.05 4.08 4.20 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 1.19 0.00 0.00 121 C 7.76 4.44 0.00 2.44 1.68 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 0.00 122 V 9.42 5.01 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 1.15 0.00 0.00 0.88 0.00 0.00 123 L 10.03 5.50 0.00 1.64 1.75 0.72 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 124 C 8.85 5.15 0.00 3.22 3.08 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 0.00 125 M 9.00 3.95 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.68 0.00 126 E 8.14 4.09 0.00 1.98 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 2.32 2.46 0.00 127 C 8.00 4.27 0.00 3.17 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 0.00 128 F 8.30 4.08 0.00 2.92 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 0.00 129 L 7.66 3.61 0.00 1.55 1.51 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 130 G 7.70 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 0.00 0.00 0.00 131 S 7.00 4.85 0.00 3.73 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.71 3.72 1.75 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.20 0.82 0.00 0.00 133 H 7.34 4.10 0.00 3.21 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 R 7.50 3.39 0.00 1.48 0.90 0.00 2.74 0.00 0.00 3.02 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.37 0.00 135 D 7.60 4.86 0.00 2.72 2.57 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 0.00 136 H 7.85 5.07 0.00 3.52 3.57 0.00 5.65 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.86 4.30 0.00 1.88 1.94 0.00 3.09 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 138 Y 8.43 5.58 0.00 3.17 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 0.00 139 R 9.35 4.47 0.00 1.78 1.72 0.00 3.02 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 140 M 8.59 4.72 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.61 0.00 141 T 8.26 4.67 4.12 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 1.11 0.00 0.00 142 T 8.25 4.49 4.17 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 1.18 0.00 0.00 143 S 9.07 4.08 0.00 3.46 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 0.00 144 G 8.65 3.72 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 0.00 0.00 0.00 145 G 7.97 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.42 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 7.99 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 F 8.09 5.09 0.00 3.06 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 0.00 149 C 8.47 4.69 0.00 2.81 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 D 9.58 4.82 0.00 3.28 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 0.00 151 C 8.02 4.33 0.00 2.98 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 0.00 152 G 8.80 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 0.00 0.00 0.00 153 D 7.88 4.42 0.00 2.83 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 0.00 154 T 8.36 3.98 4.27 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 0.00 0.00 0.00 1.25 0.00 0.00 155 E 8.11 4.29 0.00 1.97 1.94 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 2.28 2.24 0.00 156 A 7.73 4.13 0.91 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 0.00 0.00 157 W 7.58 5.61 0.00 3.25 3.27 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 0.00 0.00 0.00 0.00 158 K 9.58 4.28 0.00 1.83 1.95 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.66 7.81 159 E 7.90 4.72 0.00 2.02 1.86 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 2.27 2.37 0.00 160 G 8.76 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 0.00 0.00 0.00 161 P 0.00 3.96 0.00 1.93 2.41 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.09 0.00 162 Y 7.26 4.91 0.00 2.71 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 0.00 163 C 8.27 4.71 0.00 3.08 3.09 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 0.00 164 Q 8.73 3.95 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 165 K 8.09 3.99 0.00 1.64 1.70 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.10 1.34 7.81 166 H 8.03 4.75 0.00 3.45 3.66 0.00 5.87 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 E 8.17 3.59 0.00 1.85 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 2.34 2.16 0.00