NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 52 N 4.6362 8.3829 119.2014 53.0934 40.4338 175.4472 53 K 3.8498 8.7416 130.8872 59.6251 31.8291 175.1770 54 K 3.9416 8.3943 119.9348 59.5048 32.2337 179.0006 55 V 3.5249 7.6728 117.5047 66.1651 31.7038 177.9882 56 V 3.3796 7.4738 117.8192 66.0270 31.0851 177.6050 57 D 4.2417 8.8494 118.1212 57.3541 41.1296 178.0114 58 A 3.9744 8.3255 121.7155 55.0646 18.2241 179.4939 59 Q 3.9243 9.0445 121.1729 59.9964 29.2062 178.8772 60 K 3.9034 8.0661 124.5327 60.0421 31.6396 180.6581 61 A 4.2201 8.2766 122.0572 55.0467 18.3685 180.0133 62 V 3.8428 8.2802 119.3502 66.4962 31.0639 178.8482 63 E 4.0801 8.8025 121.3144 61.8006 29.6175 183.3387 64 L 4.3116 7.8469 123.4151 59.0503 40.9278 180.9393 65 F 4.7055 8.2531 120.7903 61.4804 39.1339 177.5140 66 K 3.8076 8.2312 119.6125 59.8385 31.7885 179.3624 67 R 4.2130 7.3730 119.9776 60.7715 29.6802 182.0044 68 T 4.1443 8.6968 116.8852 65.3525 69.8482 175.0385 69 R 3.7681 8.1306 118.1188 57.4925 28.0792 173.8432 70 T 5.0148 8.5225 108.2700 59.2412 72.9572 175.6793 71 V 3.6352 8.4349 118.9452 65.9691 31.5536 177.7144 72 A 3.9715 7.9631 120.3106 55.4977 18.3768 179.5373 73 T 3.8270 7.9730 108.2786 65.0734 68.7624 175.7918 74 H 2.6111 8.0147 120.9579 58.9150 29.8898 177.3621 75 R 3.7997 7.8391 119.4689 59.2072 29.5160 179.3095 76 K 3.9869 7.9354 117.6543 58.9110 31.9672 179.1579 77 A 4.0564 7.6837 121.2090 54.7284 18.7338 179.3887 78 Q 3.8608 8.3013 118.5223 59.1333 29.0636 178.3839 79 R 3.8948 7.8454 119.2538 58.8256 29.8729 178.2199 80 A 3.9356 7.4121 119.6273 55.1206 18.7492 179.3263 81 V 3.6784 7.6803 116.5935 66.4686 31.3936 177.7896 82 N 4.3103 7.7803 114.3926 56.5062 38.4845 176.9668 83 L 4.4282 7.8137 118.3804 55.7327 42.0667 177.4197 84 I 3.7891 7.6351 121.9165 61.9594 35.2367 176.0707 *85 H 3.8358 8.3643 120.3394 57.4131 28.2272 172.7677 86 F 3.9535 8.1735 120.1877 59.0241 39.5379 175.7531 87 Q 4.1927 8.2134 126.4845 58.0968 29.1503 176.3165 88 H 4.5976 7.5138 112.3351 55.7455 28.8364 175.2940 89 S 4.4259 8.2306 116.0838 58.8687 63.0001 174.2714 90 Y 3.9870 8.7913 127.6222 60.3543 38.6256 177.3196 91 E 4.0040 8.3273 119.4051 58.9211 29.4643 178.8709 92 K 3.9308 7.9514 122.3909 60.1402 32.2612 179.5745 93 K 3.8925 7.3419 123.4720 59.5762 31.5729 180.9182 94 K 4.0396 7.6314 122.0067 59.9646 31.9334 180.0222 95 L 4.0182 8.1517 122.8074 59.6464 40.8053 181.0641 96 Q 4.1907 8.4586 120.8838 58.9128 28.9431 178.4559 97 R 3.8615 8.0825 120.0021 59.2879 30.1276 178.2790 98 Q 3.9742 7.9719 117.8294 59.1732 28.7562 178.9332 99 I 4.0244 7.5727 120.1750 64.8848 37.1308 178.0056 100 D 4.4239 8.0723 119.3362 57.6791 40.8137 179.1856 101 L 3.9073 8.4046 119.5992 57.5838 41.4345 179.8491 102 V 3.5761 7.8675 118.2905 65.9792 31.2640 177.9100 103 L 4.0404 8.2677 120.3735 58.4890 41.4517 180.3266 104 K 3.9706 7.4239 122.4889 59.7241 31.8613 180.3403 105 Y 4.9337 6.8028 113.7526 57.8534 38.2097 175.4121 106 N 4.9173 7.7821 117.7036 51.6715 41.9937 174.4434 107 T 4.2501 8.4367 119.9418 62.0655 67.9305 174.6311 108 L 4.1465 8.1897 128.9898 55.7908 42.5766 178.5325 109 K 4.2942 8.0286 120.1978 55.0525 32.3868 175.4266 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 52 N 8.38 4.64 0.00 2.78 2.73 0.00 0.00 7.19 5.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.74 3.85 0.00 1.88 1.80 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.16 7.81 54 K 8.39 3.94 0.00 1.79 1.93 0.00 1.65 0.00 0.00 1.89 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.54 7.81 55 V 7.67 3.52 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 1.04 0.00 0.00 0.95 0.00 0.00 56 V 7.47 3.38 2.21 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 0.94 0.00 0.00 1.01 0.00 0.00 57 D 8.85 4.24 0.00 2.84 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 58 A 8.33 3.97 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 59 Q 9.04 3.92 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 60 K 8.07 3.90 0.00 1.82 1.83 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.35 7.81 61 A 8.28 4.22 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 62 V 8.28 3.84 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 1.07 0.00 0.00 1.06 0.00 0.00 63 E 8.80 4.08 0.00 1.98 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 2.24 2.19 0.00 64 L 7.85 4.31 0.00 1.63 1.71 0.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.25 4.71 0.00 3.15 3.31 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 66 K 8.23 3.81 0.00 1.85 1.78 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.67 7.81 67 R 7.37 4.21 0.00 1.92 1.77 0.00 3.29 0.00 0.00 3.22 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 68 T 8.70 4.14 4.37 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 1.26 0.00 0.00 69 R 8.13 3.77 0.00 1.97 1.89 0.00 2.99 0.00 0.00 3.09 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.60 0.00 70 T 8.52 5.01 4.29 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 1.26 0.00 0.00 71 V 8.43 3.64 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.96 0.00 0.00 72 A 7.96 3.97 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.97 3.83 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 74 H 8.01 2.61 0.00 3.02 3.34 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.84 3.80 0.00 1.81 1.86 0.00 3.14 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 76 K 7.94 3.99 0.00 1.90 1.82 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.58 7.81 77 A 7.68 4.06 1.30 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 0.00 0.00 0.00 0.00 0.00 78 Q 8.30 3.86 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 79 R 7.85 3.89 0.00 1.88 1.94 0.00 3.12 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 80 A 7.41 3.94 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 81 V 7.68 3.68 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 1.06 0.00 0.00 1.00 0.00 0.00 82 N 7.78 4.31 0.00 2.88 2.86 0.00 0.00 7.16 7.78 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 83 L 7.81 4.43 0.00 1.76 1.73 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.64 3.79 2.03 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 1.18 0.62 0.98 0.00 0.00 *85 H 8.36 3.84 0.00 2.92 2.93 0.00 7.24 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 F 8.17 3.95 0.00 2.92 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 87 Q 8.21 4.19 0.00 1.74 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.20 0.00 88 H 7.51 4.60 0.00 3.12 3.37 0.00 5.71 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.23 4.43 0.00 4.10 4.02 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 0.00 0.00 0.00 90 Y 8.79 3.99 0.00 3.14 3.01 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 0.00 0.00 0.00 91 E 8.33 4.00 0.00 2.05 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 2.47 2.34 0.00 92 K 7.95 3.93 0.00 1.82 1.93 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.47 7.81 93 K 7.34 3.89 0.00 1.63 1.81 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.36 7.81 94 K 7.63 4.04 0.00 1.87 1.82 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 0.98 7.81 95 L 8.15 4.02 0.00 1.62 1.68 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 8.46 4.19 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 97 R 8.08 3.86 0.00 1.97 2.06 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 98 Q 7.97 3.97 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.54 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 99 I 7.57 4.02 2.10 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 1.76 0.85 1.12 0.00 0.00 100 D 8.07 4.42 0.00 3.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 3.91 0.00 1.91 1.75 0.98 0.90 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 0.00 102 V 7.87 3.58 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 0.52 0.00 0.00 0.62 0.00 0.00 103 L 8.27 4.04 0.00 1.78 1.71 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.42 3.97 0.00 1.81 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.35 7.81 105 Y 6.80 4.93 0.00 3.10 2.90 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 0.00 106 N 7.78 4.92 0.00 2.72 2.66 0.00 0.00 6.91 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 0.00 107 T 8.44 4.25 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 1.23 0.00 0.00 108 L 8.19 4.15 0.00 1.70 1.63 1.18 1.08 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 0.00 109 K 8.03 4.29 0.00 1.87 1.85 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.25 1.22 7.81 * Residues marked with a * may have inaccurate shift predictions.