NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 90 I 4.1884 7.8833 121.4509 61.5745 39.0564 178.5971 91 C 4.2826 8.1754 117.7785 57.9172 40.2033 170.9810 92 V 3.3835 7.9338 118.3251 63.3900 32.5110 175.0745 93 N 4.6269 8.0635 120.4294 52.8160 39.3305 174.4464 94 E 3.8124 9.5572 126.5337 57.6931 27.5799 174.9324 95 N 4.4124 8.4257 110.6950 53.3418 37.6367 174.4809 96 G 3.7782 9.0699 101.8191 45.6615 0.0000 175.6926 97 G 3.9692 8.3789 108.0928 45.1413 0.0000 174.0810 98 C 4.4835 7.6642 117.1907 56.5851 40.8765 173.6323 99 E 4.0560 8.8629 124.8083 58.5647 31.1212 177.5913 100 Q 4.0575 8.0993 111.8876 56.1635 30.7937 178.1057 101 Y 4.9635 5.3700 123.4699 57.8954 40.7927 174.0948 102 C 5.4279 8.7136 120.7364 55.1320 45.5015 173.1267 103 S 4.8685 9.3119 121.7901 56.7558 65.7157 173.2664 104 D 4.8127 8.6616 124.1046 54.7104 41.3465 174.9815 105 H 4.5673 8.7464 117.1575 57.1768 31.5365 174.0968 *109 K 4.2280 7.6477 117.4943 56.3903 33.7471 174.5964 110 R 5.0876 8.4509 122.6957 55.0998 33.5313 173.9811 111 S 4.8316 9.3512 122.3893 57.0006 65.7840 172.9117 112 C 5.1442 8.8763 122.0683 56.5463 37.7749 172.9281 113 R 4.9174 9.0904 119.7299 54.9374 34.6847 173.3632 114 C 5.2166 8.5603 116.5439 54.9865 38.5487 173.9148 115 H 4.5274 9.7648 122.1822 55.7804 30.1873 174.3639 116 E 3.9879 8.5394 123.6674 58.2758 29.8637 177.3598 117 G 3.9475 9.5026 112.3355 45.2762 0.0000 171.9060 118 Y 5.3307 7.7117 115.5568 56.0993 42.2127 174.7001 119 S 4.8687 9.1591 115.1240 56.4257 66.9750 172.7281 120 L 4.7178 8.4577 123.3157 54.7880 42.8724 176.5017 121 L 4.5086 9.0977 126.1984 53.7832 42.9531 177.9395 122 A 4.2053 8.6695 123.0102 54.7680 18.2713 178.6602 123 D 4.3575 8.0785 115.0908 54.3267 39.6742 178.1070 124 G 4.0360 8.5175 108.2890 45.7693 0.0000 174.2910 125 V 4.3362 7.6569 111.7023 61.8843 35.3158 176.2034 126 S 4.8929 8.8125 116.2561 57.9959 64.4913 172.8734 127 C 5.5049 9.1249 120.3772 55.4268 42.0111 173.3901 128 T 4.8860 8.8904 117.9835 59.3234 70.1064 171.4011 129 P 4.3947 0.0000 0.0000 63.2980 31.8248 176.1620 130 T 4.4752 8.9159 112.4254 61.5506 70.6223 173.9982 131 V 4.4625 7.2693 114.0447 59.0447 35.4523 175.1401 132 E 3.7772 8.6096 121.3653 58.7992 29.8546 176.5381 133 Y 4.8331 7.2472 114.4646 55.3537 38.1051 173.2398 134 P 4.3759 0.0000 0.0000 61.9943 32.5642 177.2080 135 C 4.2319 8.5389 114.7541 59.6458 30.1097 174.5203 136 G 4.0772 8.9136 108.7787 45.8060 0.0000 173.3218 137 K 4.5857 7.5355 117.7228 54.2623 34.8258 176.8128 138 I 4.3132 8.0118 123.2673 58.9870 38.0866 174.6048 139 P 4.3093 0.0000 0.0000 65.8426 31.2375 178.6067 140 I 3.7748 7.8178 110.7559 63.6254 36.9805 177.8743 141 L 4.1446 7.8515 120.3863 57.2084 41.5771 178.6118 142 E 4.0739 8.4813 120.7124 59.9793 29.4562 179.8595 143 K 4.1389 8.2600 125.5901 60.9636 31.8763 179.7280 144 R 4.7919 7.2721 121.1360 56.6056 31.3292 176.3436 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 90 I 7.88 4.19 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.23 0.91 0.00 0.00 91 C 8.18 4.28 0.00 3.09 3.14 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 0.00 0.00 0.00 0.00 92 V 7.93 3.38 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 0.68 0.00 0.00 0.93 0.00 0.00 93 N 8.06 4.63 0.00 2.69 2.74 0.00 0.00 7.18 8.35 0.00 0.00 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 E 9.56 3.81 0.00 2.17 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 2.31 2.27 0.00 95 N 8.43 4.41 0.00 2.95 2.91 0.00 0.00 7.58 7.90 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 96 G 9.07 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 G 8.38 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 98 C 7.66 4.48 0.00 3.05 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 99 E 8.86 4.06 0.00 1.89 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 0.00 2.17 2.20 0.00 100 Q 8.10 4.06 0.00 1.58 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.65 0.00 0.00 0.00 0.00 0.00 1.78 1.94 0.00 101 Y 5.37 4.96 0.00 2.96 2.77 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 0.00 102 C 8.71 5.43 0.00 3.03 2.92 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 0.00 0.00 0.00 0.00 103 S 9.31 4.87 0.00 3.71 3.54 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 0.00 104 D 8.66 4.81 0.00 2.52 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 0.00 105 H 8.75 4.57 0.00 3.14 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *109 K 7.65 4.23 0.00 1.78 1.80 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.46 7.81 110 R 8.45 5.09 0.00 1.78 1.76 0.00 3.36 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 111 S 9.35 4.83 0.00 3.92 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 0.00 112 C 8.88 5.14 0.00 2.98 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 0.00 113 R 9.09 4.92 0.00 1.82 1.88 0.00 3.12 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 114 C 8.56 5.22 0.00 2.86 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 0.00 115 H 9.76 4.53 0.00 3.16 3.40 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.54 3.99 0.00 2.00 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 2.35 2.38 0.00 117 G 9.50 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 0.00 118 Y 7.71 5.33 0.00 2.90 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 0.00 119 S 9.16 4.87 0.00 3.85 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 0.00 120 L 8.46 4.72 0.00 1.68 1.62 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 121 L 9.10 4.51 0.00 1.77 1.58 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.67 4.21 1.28 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 0.00 0.00 0.00 123 D 8.08 4.36 0.00 2.91 2.93 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 0.00 124 G 8.52 4.04 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 0.00 0.00 0.00 125 V 7.66 4.34 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 0.74 0.00 0.00 0.94 0.00 0.00 126 S 8.81 4.89 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 0.00 127 C 9.12 5.50 0.00 2.59 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 0.00 128 T 8.89 4.89 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 0.00 129 P 0.00 4.39 0.00 1.82 1.63 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 130 T 8.92 4.48 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 1.26 0.00 0.00 131 V 7.27 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 0.69 0.00 0.00 0.82 0.00 0.00 132 E 8.61 3.78 0.00 1.68 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.82 0.00 133 Y 7.25 4.83 0.00 3.00 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 0.00 134 P 0.00 4.38 0.00 1.71 1.46 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.73 0.00 135 C 8.54 4.23 0.00 3.16 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 0.00 136 G 8.91 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 0.00 137 K 7.54 4.59 0.00 1.81 1.74 0.00 1.91 0.00 0.00 1.79 0.00 0.00 3.16 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.68 1.59 7.81 138 I 8.01 4.31 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.85 0.93 0.00 0.00 139 P 0.00 4.31 0.00 2.28 2.33 0.00 3.66 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 140 I 7.82 3.77 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.78 0.94 0.00 0.00 141 L 7.85 4.14 0.00 1.84 1.76 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.48 4.07 0.00 2.08 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 2.57 2.49 0.00 143 K 8.26 4.14 0.00 1.83 1.73 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.33 7.81 144 R 7.27 4.79 0.00 1.87 1.99 0.00 3.23 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.