NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 A 4.1157 8.2493 123.5839 51.8406 19.8203 177.6210 24 L 3.7144 9.3645 121.8504 56.9108 38.6088 169.1901 25 E 4.6177 7.8171 128.2612 56.1539 37.4300 175.9935 26 S 4.1790 7.7397 121.8570 57.8531 62.5149 175.3567 27 Q 3.8072 8.3711 128.9127 59.3030 29.8317 178.3512 28 T 4.3863 7.6274 115.2450 62.7833 67.7664 172.9569 29 I 3.7848 7.3258 128.3848 59.1433 42.6564 176.6635 30 A 3.5606 8.6933 126.4171 55.1119 18.2793 177.9104 *51 I 4.2054 7.3514 113.1100 61.0866 39.4583 177.9091 52 L 3.7934 8.0092 118.7436 56.9352 40.3892 176.1990 53 A 3.8458 8.3430 124.1369 53.4237 16.7534 178.8860 54 K 4.4574 8.8734 119.4881 57.0811 31.0767 178.2835 55 V 3.7328 7.9274 118.6595 65.9557 31.6842 177.2789 56 I 4.0506 7.3791 118.3463 64.0962 37.5483 178.1944 57 E 4.4726 7.5789 117.6756 55.3955 30.0932 177.3129 58 Y 4.5757 8.1543 122.1402 59.4228 44.8317 174.7757 *101 L 4.2853 8.6096 116.5339 54.5354 44.6434 178.1542 102 I 4.0041 7.6505 118.4300 63.9154 38.1153 176.8210 103 L 3.8599 6.3523 123.6241 55.2774 38.5743 176.8743 104 A 4.8835 8.6036 131.6820 58.5964 19.3713 180.6115 105 A 3.3140 7.1343 122.2130 53.2649 21.5983 180.5204 106 N 4.1076 7.4916 113.8691 56.1697 42.0886 176.6719 107 Y 4.3861 9.6948 117.7836 57.2630 37.9052 180.1608 108 L 3.7299 7.5326 111.5944 56.3406 40.6605 175.3454 109 N 4.9905 8.4064 124.7255 53.1547 40.0408 175.0004 110 I 4.1580 7.8347 116.8055 63.8222 36.2905 178.3016 111 K 4.4442 6.8860 122.6088 58.5479 33.7600 178.4143 112 N 4.3138 8.4424 116.5880 56.5357 36.9292 176.8192 113 L 3.8917 8.3750 122.7463 57.3654 42.0751 178.5246 114 L 3.9495 7.7450 118.7798 58.3139 41.7066 179.4192 115 D 4.4345 8.0581 117.8783 56.9881 40.9355 178.4014 116 L 3.9594 7.7056 120.7419 58.3929 42.1412 179.2392 117 T 4.0099 8.2069 110.0381 64.9737 68.9451 176.4669 118 C 4.1446 8.4779 120.2685 62.5019 27.9235 175.8911 119 Q 4.0187 7.8102 119.8698 59.5670 28.9112 178.1969 120 T 4.8254 7.5716 117.0817 65.7616 68.6104 176.8751 121 V 3.5559 8.3280 120.5208 66.2700 31.5826 177.7935 122 A 4.0315 8.4745 120.7037 55.5634 18.0699 179.4064 123 D 4.3212 8.2662 117.3258 57.9618 40.8199 178.9473 124 M 3.9174 7.4732 117.9319 57.6820 32.0800 177.7670 125 I 4.3031 7.3835 117.7053 61.9676 38.8602 175.7739 126 K 3.9504 7.4702 116.5882 57.8217 32.0961 176.7110 127 G 3.9256 8.9522 110.9983 46.0670 0.0000 172.8198 128 K 4.7429 7.9251 118.5433 53.9037 34.5949 177.1144 129 T 4.1073 9.0522 114.5468 61.1272 70.7226 173.7772 130 P 4.2598 0.0000 0.0000 65.8261 31.2905 178.2343 131 E 3.8784 8.1411 118.6138 59.2728 29.8296 178.1292 132 E 4.0032 8.0658 118.3011 59.8326 29.3290 179.9334 133 I 3.7551 7.4695 118.3541 64.4922 37.3875 178.5300 134 R 4.1042 7.6159 114.9531 60.0008 29.7319 177.6246 135 T 3.6886 8.7339 115.2918 68.0401 68.1252 174.9155 136 T 4.1642 7.9757 113.5727 64.1986 69.6492 175.2632 137 F 4.7490 8.4901 120.5630 57.8245 38.9637 176.2586 138 N 5.0484 8.7397 121.7638 54.0243 39.1424 174.2316 139 I 4.1853 8.1172 118.5383 59.7236 37.8254 175.8565 140 K 4.3447 8.4362 125.2828 55.2011 33.8528 176.0208 141 N 4.2590 8.7013 119.7098 54.6110 39.2372 173.9597 142 D 4.8595 8.3068 123.8282 53.2352 39.8775 175.5173 143 F 4.7801 10.6352 118.8721 56.9591 40.7382 175.7322 144 T 4.3867 9.9100 117.6976 61.4732 69.6071 175.2675 145 P 3.8746 0.0000 0.0000 64.5436 31.7481 177.5891 146 E 3.8738 8.1983 117.5746 59.5826 29.3269 179.1896 147 E 4.1025 8.9011 118.4791 58.8314 29.9817 178.1049 148 E 3.2661 8.2298 119.0645 59.3618 29.4536 178.7318 149 E 3.8491 8.5492 117.7822 59.3732 29.6222 178.7460 150 E 3.8327 7.5965 119.5860 58.4118 29.5280 179.0544 151 V 3.4474 7.8905 118.9895 66.0273 31.7644 177.9092 152 R 3.7781 7.4715 118.5164 59.3253 29.7214 178.4449 153 R 3.2989 7.8035 118.4772 59.1625 30.0165 177.5265 154 E 3.7730 7.7094 118.8289 59.7948 29.5520 178.3418 155 N 4.4873 8.5667 116.0997 57.2057 38.5272 177.3396 156 Q 4.1546 7.9606 117.8261 58.5674 29.0607 178.2602 157 W 4.4181 8.8012 119.3386 58.3881 29.3453 177.0391 158 A 4.3289 8.0536 119.9475 52.0608 20.1934 176.9872 159 F 5.0598 7.9832 111.6262 57.1779 39.8870 175.3967 160 E 4.3434 8.0898 126.0266 56.5681 30.0667 175.6226 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 23 A 8.25 4.12 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 9.36 3.71 0.00 1.91 2.12 0.92 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.82 4.62 0.00 1.92 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 2.18 2.18 0.00 26 S 7.74 4.18 0.00 4.04 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 27 Q 8.37 3.81 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.74 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 28 T 7.63 4.39 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 0.96 0.00 0.00 29 I 7.33 3.78 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 1.27 0.09 0.88 0.00 0.00 30 A 8.69 3.56 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 *51 I 7.35 4.21 1.88 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 1.48 0.90 0.94 0.00 0.00 52 L 8.01 3.79 0.00 1.87 1.95 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.34 3.85 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 54 K 8.87 4.46 0.00 1.96 1.97 0.00 1.99 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 3.45 0.00 0.00 0.00 0.00 1.43 1.31 7.81 55 V 7.93 3.73 2.17 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 0.75 0.00 0.00 0.99 0.00 0.00 56 I 7.38 4.05 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 1.50 0.93 0.93 0.00 0.00 57 E 7.58 4.47 0.00 2.16 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 2.42 2.31 0.00 58 Y 8.15 4.58 0.00 3.07 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 *101 L 8.61 4.29 0.00 1.66 1.65 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.65 4.00 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.90 0.00 0.00 103 L 6.35 3.86 0.00 1.72 1.62 0.89 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.60 4.88 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.13 3.31 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 0.00 106 N 7.49 4.11 0.00 2.70 2.83 0.00 0.00 6.89 7.54 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 0.00 107 Y 9.69 4.39 0.00 2.94 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 0.00 108 L 7.53 3.73 0.00 1.50 1.06 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.41 4.99 0.00 2.73 2.78 0.00 0.00 7.22 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 0.00 110 I 7.83 4.16 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 1.30 0.55 0.95 0.00 0.00 111 K 6.89 4.44 0.00 1.90 1.76 0.00 1.73 0.00 0.00 1.98 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.56 7.81 112 N 8.44 4.31 0.00 3.06 3.16 0.00 0.00 5.68 6.67 0.00 0.00 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 L 8.38 3.89 0.00 1.54 1.60 0.28 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.74 3.95 0.00 2.05 1.74 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.06 4.43 0.00 2.92 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.71 3.96 0.00 1.73 1.79 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.21 4.01 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 1.15 0.00 0.00 118 C 8.48 4.14 0.00 3.03 3.04 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 0.00 119 Q 7.81 4.02 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 120 T 7.57 4.83 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 121 V 8.33 3.56 2.29 0.00 0.00 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 1.02 0.00 0.00 122 A 8.47 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.32 0.00 2.95 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 M 7.47 3.92 0.00 2.19 2.46 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.95 0.00 125 I 7.38 4.30 2.02 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.77 0.88 0.00 0.00 126 K 7.47 3.95 0.00 1.76 1.80 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.24 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.63 7.81 127 G 8.95 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 0.00 0.00 0.00 128 K 7.93 4.74 0.00 1.80 1.72 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.28 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.59 7.81 129 T 9.05 4.11 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 0.00 130 P 0.00 4.26 0.00 2.28 2.33 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 131 E 8.14 3.88 0.00 2.11 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 2.39 2.47 0.00 132 E 8.07 4.00 0.00 2.36 2.05 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 2.36 2.41 0.00 133 I 7.47 3.76 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.46 0.66 0.00 0.00 134 R 7.62 4.10 0.00 2.38 2.06 0.00 3.18 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.69 0.00 135 T 8.73 3.69 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 136 T 7.98 4.16 4.31 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 1.34 0.00 0.00 137 F 8.49 4.75 0.00 3.03 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 0.00 138 N 8.74 5.05 0.00 2.62 2.74 0.00 0.00 6.81 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 0.00 139 I 8.12 4.19 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.76 0.89 0.00 0.00 140 K 8.44 4.34 0.00 1.87 1.81 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.42 7.81 141 N 8.70 4.26 0.00 2.75 2.85 0.00 0.00 6.82 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.31 4.86 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 10.64 4.78 0.00 3.31 2.87 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 0.00 144 T 9.91 4.39 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 1.23 0.00 0.00 145 P 0.00 3.87 0.00 2.20 2.06 0.00 3.67 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 146 E 8.20 3.87 0.00 2.05 2.04 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 2.42 2.40 0.00 147 E 8.90 4.10 0.00 2.20 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 0.00 2.36 2.36 0.00 148 E 8.23 3.27 0.00 1.89 1.89 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 2.27 2.14 0.00 149 E 8.55 3.85 0.00 2.09 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 0.00 2.55 2.27 0.00 150 E 7.60 3.83 0.00 2.29 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 2.20 2.22 0.00 151 V 7.89 3.45 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 0.90 0.00 0.00 0.84 0.00 0.00 152 R 7.47 3.78 0.00 1.87 1.91 0.00 3.10 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 153 R 7.80 3.30 0.00 1.55 1.58 0.00 2.21 0.00 0.00 2.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 154 E 7.71 3.77 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 155 N 8.57 4.49 0.00 3.11 2.96 0.00 0.00 7.17 7.89 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 0.00 156 Q 7.96 4.15 0.00 2.35 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.99 0.00 0.00 0.00 0.00 0.00 2.60 2.45 0.00 157 W 8.80 4.42 0.00 3.22 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 0.00 158 A 8.05 4.33 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 F 7.98 5.06 0.00 3.20 3.04 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 0.00 160 E 8.09 4.34 0.00 1.97 1.83 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 2.24 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.