NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 L 4.2310 8.1429 122.4914 54.6465 43.9011 178.3272 14 E 4.2064 8.2158 112.5207 56.6886 30.0072 177.4120 15 V 4.0988 8.0705 117.4544 65.8868 33.8492 176.3262 16 E 4.1296 7.8823 117.5372 56.7032 27.3354 177.1277 *19 A 4.2679 7.6188 121.0345 51.7800 21.1180 177.1516 20 D 4.6560 7.8650 115.2434 54.7257 41.4195 177.1087 *22 Y 4.4146 7.9566 118.9593 57.2423 40.4000 176.1029 23 N 4.4222 7.8238 115.5021 56.4031 38.8793 177.5340 24 R 4.2654 8.2996 114.4594 57.5076 29.7453 178.4306 *26 T 3.9362 7.9585 115.7692 63.6418 70.3078 176.0282 27 S 3.9916 8.0146 115.0956 61.4847 62.0749 176.3951 28 A 3.9546 8.1294 123.3617 55.4672 18.4864 179.0132 29 C 4.2642 8.0564 114.2949 60.1206 41.1246 175.8545 30 H 3.9999 8.3686 120.1873 59.2476 29.3108 177.1618 31 R 3.9947 7.5399 118.2627 59.6027 30.1559 179.0332 32 K 4.2429 7.9690 115.4113 58.1253 32.2281 177.0187 33 C 4.8636 7.9593 113.7471 56.1314 41.7319 173.9496 34 V 4.1948 7.8525 119.3808 60.2851 33.1533 173.0127 35 P 4.4189 0.0000 0.0000 61.3883 31.9492 175.8078 36 P 4.3397 0.0000 0.0000 64.2225 31.1106 177.1107 37 H 4.2305 7.9502 117.4096 57.6270 29.3035 175.5740 38 Y 3.6717 7.0755 116.3660 58.8831 35.1076 172.4786 39 K 4.2039 7.9572 122.6325 58.9417 33.7124 177.7233 40 E 4.6705 7.8346 115.4905 53.8801 31.8429 175.3612 41 A 4.3788 8.6487 122.8708 52.6442 18.5394 176.6507 42 E 4.7107 7.6622 116.6351 53.9598 32.7691 175.2873 43 L 3.9088 8.6555 124.1309 55.5427 42.2151 177.8370 44 S 4.3378 9.1353 120.3940 58.1794 64.3632 175.3510 45 K 4.2700 8.8209 134.0034 60.1780 31.2899 178.2450 46 G 3.7409 8.0165 106.2787 47.7604 0.0000 175.0938 47 E 3.9258 8.2839 121.4310 59.3074 28.9700 179.7199 48 S 4.1150 9.0151 115.9453 61.5335 62.9101 176.9887 49 V 3.5552 7.6165 120.4536 66.1031 31.3385 176.8243 50 C 3.9908 8.3334 118.6591 59.9887 41.6042 175.4004 51 L 3.9036 7.8659 119.9874 58.3132 41.2706 178.8774 52 D 4.4924 7.7188 117.5016 57.9338 40.8303 179.3770 53 R 3.9079 8.1446 117.7401 59.5892 30.1168 178.0774 54 C 4.1674 8.5436 118.3342 59.9280 38.7984 175.4750 55 V 3.4599 8.5222 120.1538 66.5635 30.9188 178.1448 56 S 4.1867 8.3268 116.8798 62.2248 62.7146 177.1936 57 K 3.9500 8.5695 126.6976 60.1048 31.3506 180.4521 58 Y 3.9810 8.8937 121.0819 60.7238 38.5441 178.2882 59 L 4.1252 7.7318 118.2758 57.9520 41.9853 178.5956 60 D 4.4201 8.5549 118.3127 57.6228 40.9683 178.2159 61 I 3.5949 7.8666 120.1234 64.9040 37.1786 177.6083 62 H 4.1238 7.8988 118.2046 58.8699 29.8361 177.0483 63 E 4.2403 8.4428 120.8291 58.8943 29.6402 181.1690 64 R 4.1712 7.9943 116.9878 55.7916 29.3131 178.5783 *66 G 3.7359 8.2047 109.0271 46.5948 0.0000 175.0181 67 K 4.0630 7.8315 121.7096 58.0418 31.9906 178.3679 68 K 3.7596 8.6562 119.6784 59.8202 32.0342 178.8382 69 L 3.9222 7.7314 118.6951 58.5167 42.3966 178.4538 70 T 3.9972 7.7404 115.1998 66.5905 68.1072 176.1643 71 E 4.0053 8.1802 119.8400 59.5421 29.5918 178.9131 72 L 4.4943 7.2860 115.1432 55.0255 41.6197 177.4138 73 S 4.6162 7.7298 113.5972 58.8738 63.3755 175.1609 *75 Q 4.3554 8.2993 122.7261 56.8643 30.3305 176.7761 76 D 4.5755 8.4080 114.5710 56.3312 39.8158 178.1976 77 E 4.2058 8.1919 122.1705 56.5582 29.4082 176.8980 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 13 L 8.14 4.23 0.00 1.74 1.73 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.22 4.21 0.00 2.11 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 2.23 1.93 0.00 15 V 8.07 4.10 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 0.92 0.00 0.00 0.92 0.00 0.00 16 E 7.88 4.13 0.00 2.00 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 2.32 2.32 0.00 *19 A 7.62 4.27 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 20 D 7.87 4.66 0.00 2.80 2.67 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 0.00 0.00 0.00 0.00 *22 Y 7.96 4.41 0.00 2.97 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 23 N 7.82 4.42 0.00 3.01 2.86 0.00 0.00 7.12 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 24 R 8.30 4.27 0.00 1.86 2.01 0.00 3.38 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 *26 T 7.96 3.94 4.15 0.00 0.00 0.00 0.00 0.00 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 27 S 8.01 3.99 0.00 3.87 4.01 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 28 A 8.13 3.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.06 4.26 0.00 2.88 3.11 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 0.00 0.00 0.00 30 H 8.37 4.00 0.00 3.27 3.45 0.00 5.61 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 31 R 7.54 3.99 0.00 1.95 2.02 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 32 K 7.97 4.24 0.00 1.76 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.50 7.81 33 C 7.96 4.86 0.00 3.11 3.02 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 34 V 7.85 4.19 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 0.60 0.00 0.00 0.78 0.00 0.00 35 P 0.00 4.42 0.00 2.17 1.92 0.00 3.51 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 36 P 0.00 4.34 0.00 1.98 2.19 0.00 3.53 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 37 H 7.95 4.23 0.00 3.06 3.34 0.00 5.94 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.08 3.67 0.00 3.07 3.13 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 0.00 0.00 0.00 39 K 7.96 4.20 0.00 1.87 1.95 0.00 1.50 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.42 7.81 40 E 7.83 4.67 0.00 2.06 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 2.15 2.26 0.00 41 A 8.65 4.38 1.32 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 0.00 0.00 42 E 7.66 4.71 0.00 1.87 1.78 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 2.18 2.36 0.00 43 L 8.66 3.91 0.00 1.67 1.63 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 44 S 9.14 4.34 0.00 3.88 3.80 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 45 K 8.82 4.27 0.00 1.80 1.84 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.12 7.81 46 G 8.02 3.74 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 0.00 0.00 0.00 47 E 8.28 3.93 0.00 2.24 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 2.36 2.40 0.00 48 S 9.02 4.12 0.00 3.96 3.91 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 49 V 7.62 3.56 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 0.99 0.00 0.00 0.98 0.00 0.00 50 C 8.33 3.99 0.00 2.99 3.26 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 0.00 51 L 7.87 3.90 0.00 1.91 1.70 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.72 4.49 0.00 2.94 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.14 3.91 0.00 2.00 2.00 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 54 C 8.54 4.17 0.00 3.01 3.35 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 0.00 0.00 0.00 0.00 55 V 8.52 3.46 2.22 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 0.98 0.00 0.00 0.93 0.00 0.00 56 S 8.33 4.19 0.00 4.12 3.91 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 57 K 8.57 3.95 0.00 1.72 1.84 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.34 7.81 58 Y 8.89 3.98 0.00 3.15 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 59 L 7.73 4.13 0.00 1.90 1.78 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.55 4.42 0.00 2.68 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 61 I 7.87 3.59 1.73 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 1.54 0.81 0.77 0.00 0.00 62 H 7.90 4.12 0.00 3.15 3.53 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.44 4.24 0.00 2.18 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 2.55 0.00 64 R 7.99 4.17 0.00 1.97 2.16 0.00 3.14 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.61 0.00 *66 G 8.20 3.74 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 0.00 0.00 0.00 67 K 7.83 4.06 0.00 1.78 1.86 0.00 1.68 0.00 0.00 1.57 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.58 7.81 68 K 8.66 3.76 0.00 1.92 1.88 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.52 7.81 69 L 7.73 3.92 0.00 1.66 1.66 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.74 4.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 71 E 8.18 4.01 0.00 2.10 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 2.35 2.47 0.00 72 L 7.29 4.49 0.00 1.68 1.67 0.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 73 S 7.73 4.62 0.00 3.98 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 *75 Q 8.30 4.36 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 76 D 8.41 4.58 0.00 2.69 2.61 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 0.00 0.00 0.00 77 E 8.19 4.21 0.00 1.95 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 2.32 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.