NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 Q 4.3324 8.3449 118.8290 54.9059 30.6146 174.3818 22 P 4.8239 0.0000 0.0000 60.7986 33.1487 173.2242 23 T 4.9148 8.2946 116.7164 60.4664 71.6075 172.1081 24 S 5.2866 8.6700 120.6865 56.8766 66.6971 172.7642 25 F 5.1545 8.3053 114.0622 55.1174 41.0833 172.0435 26 P 4.9744 0.0000 0.0000 62.9808 32.6131 174.6201 27 L 5.0287 8.6090 120.0179 53.0039 46.4910 176.0867 28 E 4.0462 8.7415 118.4828 57.8183 30.1386 176.5319 29 H 4.5249 9.2632 115.2523 57.7305 26.2654 174.7591 30 N 4.3903 8.1626 109.9338 54.7546 36.6431 174.3396 31 H 5.3748 7.9946 114.8619 55.4162 31.2167 174.0812 32 F 5.1753 8.6371 113.4112 56.0631 41.4404 173.2048 33 G 3.7784 8.9710 108.3420 44.3847 0.0000 172.4463 34 V 5.2650 8.4195 122.0617 59.6082 35.9286 173.5784 *36 E 4.2110 8.4928 120.5212 56.7657 30.1161 174.9655 37 D 4.2806 9.5733 127.8218 55.4542 39.2755 174.4077 38 G 3.7614 7.8169 106.1984 46.0409 0.0000 171.1566 39 Y 5.2214 7.6232 117.6169 56.3730 39.8693 175.2860 40 I 4.7026 8.8533 125.8696 60.0319 38.9256 174.9578 41 K 5.0373 9.0292 126.8261 54.6067 35.5142 175.5123 42 I 4.8000 8.1264 122.9761 59.7934 40.9176 174.2639 43 Y 4.9113 8.6212 123.4179 55.9160 42.4470 173.9727 44 E 4.8324 8.7223 120.4873 54.6905 33.3675 173.3212 45 Y 5.2074 8.9051 128.1348 56.0928 40.6530 174.6426 46 N 4.3922 8.9038 127.5190 52.0861 38.9344 175.1439 47 E 3.2859 8.3392 128.3448 58.8773 30.2664 178.2462 48 S 4.1414 8.0548 112.4317 61.4345 62.4685 174.8828 49 R 4.0849 8.3467 115.8527 55.7420 30.4847 176.0693 50 N 4.0355 7.6166 116.2326 53.4301 37.7605 172.6954 51 E 4.9673 7.0849 116.2006 55.5076 33.5147 176.1057 52 V 5.2379 8.5089 113.7108 59.9004 35.1927 175.3078 53 K 4.7215 8.8805 121.5200 54.4258 36.4480 175.8011 54 L 3.7276 8.8263 126.7028 55.4775 42.1598 176.4666 55 K 4.4737 8.7688 123.1547 57.1035 35.1323 176.4460 56 K 4.5429 7.4333 118.5563 55.0559 35.7652 174.6488 57 E 5.1955 8.2480 123.7032 55.0060 33.4445 174.5587 58 Y 4.9712 9.1176 119.2231 56.4756 43.1763 173.9245 59 A 4.6501 8.7335 123.7603 50.9283 20.5153 177.8404 60 D 4.2701 9.2034 121.6057 57.8442 41.0048 178.9936 61 D 4.3815 7.9227 117.7739 57.1036 41.0461 178.0176 62 E 4.1652 8.1277 119.3804 59.5355 29.2879 179.4348 63 L 3.9524 7.7988 117.1865 57.7369 41.8832 178.9425 64 E 3.9205 8.6776 117.5707 58.9539 29.3935 177.6319 65 L 4.1588 7.3504 123.8837 55.0585 41.5314 175.5701 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 21 Q 8.34 4.33 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 22 P 0.00 4.82 0.00 2.06 2.16 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.30 0.00 23 T 8.29 4.91 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 1.33 0.00 0.00 24 S 8.67 5.29 0.00 3.89 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 25 F 8.31 5.15 0.00 3.21 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 26 P 0.00 4.97 0.00 2.19 2.15 0.00 3.93 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 27 L 8.61 5.03 0.00 1.64 1.66 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.74 4.05 0.00 1.87 1.54 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 2.35 2.31 0.00 29 H 9.26 4.52 0.00 3.34 3.40 0.00 5.85 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 30 N 8.16 4.39 0.00 3.06 3.19 0.00 0.00 6.94 8.16 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 31 H 7.99 5.37 0.00 3.28 3.29 0.00 5.85 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.64 5.18 0.00 3.09 3.08 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 33 G 8.97 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 34 V 8.42 5.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.06 0.00 0.00 *36 E 8.49 4.21 0.00 2.17 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 2.38 0.00 37 D 9.57 4.28 0.00 2.93 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 38 G 7.82 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 0.00 0.00 0.00 39 Y 7.62 5.22 0.00 3.13 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 40 I 8.85 4.70 2.06 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 1.39 0.76 1.14 0.00 0.00 41 K 9.03 5.04 0.00 1.85 1.34 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.41 7.81 42 I 8.13 4.80 1.81 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 0.86 0.00 0.00 43 Y 8.62 4.91 0.00 1.43 2.30 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 44 E 8.72 4.83 0.00 1.62 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.96 0.00 45 Y 8.91 5.21 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.90 4.39 0.00 2.67 2.55 0.00 0.00 6.39 7.27 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 47 E 8.34 3.29 0.00 1.92 1.87 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 2.27 2.34 0.00 48 S 8.05 4.14 0.00 3.82 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 49 R 8.35 4.08 0.00 1.76 1.91 0.00 3.33 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 50 N 7.62 4.04 0.00 2.81 2.79 0.00 0.00 6.90 7.57 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 51 E 7.08 4.97 0.00 2.08 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 2.34 2.34 0.00 52 V 8.51 5.24 2.39 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 0.92 0.00 0.00 1.09 0.00 0.00 53 K 8.88 4.72 0.00 1.70 1.63 0.00 1.55 0.00 0.00 1.57 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.45 7.81 54 L 8.83 3.73 0.00 1.60 1.48 0.27 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.77 4.47 0.00 1.57 1.72 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.33 7.81 56 K 7.43 4.54 0.00 1.82 1.62 0.00 1.35 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.64 1.16 7.81 57 E 8.25 5.20 0.00 1.68 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 58 Y 9.12 4.97 0.00 2.88 2.78 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 59 A 8.73 4.65 1.19 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 0.00 0.00 60 D 9.20 4.27 0.00 2.82 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 61 D 7.92 4.38 0.00 2.66 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 62 E 8.13 4.17 0.00 2.35 2.15 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 2.40 2.44 0.00 63 L 7.80 3.95 0.00 1.70 1.60 0.79 0.28 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 64 E 8.68 3.92 0.00 2.15 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 2.32 2.45 0.00 65 L 7.35 4.16 0.00 1.81 1.91 0.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.