NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.2485 8.4401 121.4701 55.7398 31.2099 176.3658 13 A 4.0515 8.6885 122.6437 53.8032 19.8282 178.6009 14 R 3.5907 7.7888 105.0100 54.5310 33.3557 180.2572 15 K 3.6391 8.7474 113.7861 56.8864 35.1587 175.4691 16 L 3.8084 7.4263 123.5666 58.3961 42.2700 179.2460 17 S 4.2218 8.3064 114.4857 60.2517 63.1396 174.4222 18 P 4.0741 0.0000 0.0000 64.8957 31.4882 178.0871 19 V 3.7102 8.1090 116.9903 66.3162 31.3327 177.8390 20 E 3.8927 8.0566 117.1972 59.5494 29.5175 179.5017 21 L 3.9555 8.5775 119.6017 57.5122 41.6795 179.0537 22 E 3.9860 8.0298 119.8487 58.5969 29.4289 177.9407 23 K 3.6875 7.9751 118.9439 58.7586 32.2201 177.8081 24 L 4.0363 8.2706 121.2171 58.0562 42.0056 178.5525 25 V 3.5740 7.8031 118.5460 65.9258 31.2405 178.1877 26 R 3.7003 8.5919 118.8338 58.8015 29.6174 177.8688 27 E 3.9699 8.0417 118.2103 59.5608 29.5317 180.4020 28 K 3.9945 8.0824 115.5833 56.8646 32.8470 177.1750 29 K 4.3191 10.7800 117.4807 57.2675 34.6131 179.1445 30 R 3.8821 7.6571 115.0749 59.1612 29.3139 178.0078 31 E 4.0080 7.8591 118.4314 58.6090 29.8726 177.0813 32 L 3.0733 7.2684 120.7354 57.1075 42.0644 177.4922 33 M 4.2572 9.6360 119.9178 55.8077 32.3225 176.4427 34 E 4.4631 6.9072 117.6927 54.7809 31.6584 177.4634 35 L 4.3796 8.1743 120.1855 53.2573 39.0855 177.4584 36 R 4.6731 7.3127 114.2480 54.9533 31.8362 172.5108 37 F 4.9655 7.9424 120.7604 57.1724 41.8736 171.7835 38 Q 4.2117 6.6219 120.8602 56.2722 31.8408 176.8644 39 A 3.7172 7.9995 122.8209 55.3240 20.1967 180.4471 40 S 3.9748 7.0579 105.3859 58.7209 65.1701 174.5568 41 I 3.6750 8.2392 135.0000 65.3646 36.8615 177.2911 42 G 3.8628 7.5986 104.3194 46.7848 0.0000 173.9822 43 Q 4.6167 8.4613 117.6812 55.6233 30.8661 175.0909 44 L 4.5859 8.2185 120.0196 56.9944 43.8167 178.3061 45 S 4.6500 7.9038 112.9283 59.0616 62.8749 175.6830 46 Q 4.3176 8.4797 125.1453 57.7504 29.3178 177.5883 47 N 4.8942 8.1638 114.1045 55.1016 36.5946 175.5076 48 H 4.1923 7.5444 119.3753 58.3995 30.2639 175.2449 49 K 4.3558 7.6811 115.8991 56.5119 33.8531 174.6141 50 I 4.0035 5.9226 125.8706 60.1177 36.9118 174.7085 51 R 4.0934 7.2855 123.2412 55.5678 29.4245 174.0590 52 D 4.6294 9.5438 116.3778 55.7520 45.0756 176.2856 53 L 4.2562 7.2579 114.4531 56.5828 40.2999 178.5537 54 K 4.5951 7.7589 113.9237 57.1591 34.4595 176.1828 55 R 4.5020 9.3074 117.9959 56.0069 30.4981 175.8675 56 Q 4.3706 7.9450 116.7495 53.9112 27.7046 174.0786 57 I 4.3446 7.8054 114.4212 58.4598 39.7740 175.5170 58 A 4.0718 8.6040 129.2492 51.0906 18.0715 177.1483 59 R 4.0947 8.3728 123.7315 56.8941 29.2801 177.8924 60 L 4.2234 8.1729 134.1224 54.4401 42.6354 177.8650 61 L 3.4069 8.4382 112.6170 57.5326 39.3205 175.5161 *62 T 4.1354 7.4945 114.7544 61.7977 69.1019 175.6430 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 12 E 8.44 4.25 0.00 1.94 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 2.19 2.26 0.00 13 A 8.69 4.05 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 14 R 7.79 3.59 0.00 2.00 1.22 0.00 3.14 0.00 0.00 3.26 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 15 K 8.75 3.64 0.00 1.89 2.11 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.45 1.43 7.81 16 L 7.43 3.81 0.00 1.80 1.75 0.92 0.67 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 17 S 8.31 4.22 0.00 4.10 4.05 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 0.00 0.00 0.00 18 P 0.00 4.07 0.00 2.04 2.20 0.00 3.91 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 2.04 2.19 0.00 19 V 8.11 3.71 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 1.03 0.00 0.00 0.97 0.00 0.00 20 E 8.06 3.89 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 21 L 8.58 3.96 0.00 1.77 1.91 0.92 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.03 3.99 0.00 2.40 1.90 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 2.28 2.35 0.00 23 K 7.98 3.69 0.00 1.85 1.94 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.52 7.81 24 L 8.27 4.04 0.00 1.89 1.74 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.80 3.57 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 0.89 0.00 0.00 0.92 0.00 0.00 26 R 8.59 3.70 0.00 2.06 1.95 0.00 3.18 0.00 0.00 3.08 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 27 E 8.04 3.97 0.00 2.17 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 2.32 2.41 0.00 28 K 8.08 3.99 0.00 1.87 1.83 0.00 1.64 0.00 0.00 1.88 0.00 0.00 3.22 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.68 7.81 29 K 10.78 4.32 0.00 1.98 1.66 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.47 7.81 30 R 7.66 3.88 0.00 1.92 2.02 0.00 3.50 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 31 E 7.86 4.01 0.00 1.90 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 2.36 2.05 0.00 32 L 7.27 3.07 0.00 1.06 1.17 0.86 0.99 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 33 M 9.64 4.26 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 34 E 6.91 4.46 0.00 1.99 2.14 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 2.43 2.35 0.00 35 L 8.17 4.38 0.00 1.67 1.70 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.31 4.67 0.00 1.74 1.91 0.00 3.42 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 37 F 7.94 4.97 0.00 2.87 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 38 Q 6.62 4.21 0.00 1.89 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 39 A 8.00 3.72 1.13 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 0.00 0.00 40 S 7.06 3.97 0.00 3.99 3.50 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 41 I 8.24 3.68 1.89 0.00 0.00 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 1.37 0.56 0.93 0.00 0.00 42 G 7.60 3.86 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 0.00 0.00 0.00 43 Q 8.46 4.62 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 44 L 8.22 4.59 0.00 1.73 1.61 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.90 4.65 0.00 3.93 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 46 Q 8.48 4.32 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 47 N 8.16 4.89 0.00 2.87 2.95 0.00 0.00 6.29 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 48 H 7.54 4.19 0.00 3.27 3.49 0.00 5.56 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.68 4.36 0.00 1.80 1.57 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.36 7.81 50 I 5.92 4.00 1.95 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 1.33 1.26 0.92 0.00 0.00 51 R 7.29 4.09 0.00 1.86 2.30 0.00 3.37 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.38 0.00 52 D 9.54 4.63 0.00 2.72 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 53 L 7.26 4.26 0.00 1.74 1.72 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.76 4.60 0.00 1.70 1.78 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.41 7.81 55 R 9.31 4.50 0.00 1.72 1.84 0.00 3.25 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 56 Q 7.94 4.37 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.52 0.00 0.00 0.00 0.00 0.00 2.53 2.26 0.00 57 I 7.81 4.34 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 1.35 0.66 0.91 0.00 0.00 58 A 8.60 4.07 1.27 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 0.00 0.00 59 R 8.37 4.09 0.00 1.76 1.90 0.00 3.29 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 60 L 8.17 4.22 0.00 1.76 1.46 0.92 1.13 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 61 L 8.44 3.41 0.00 1.86 1.82 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 *62 T 7.49 4.14 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.