NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4249 0.0000 0.0000 62.3499 32.0158 174.2193 3 E 4.6563 7.7762 125.5057 53.7962 33.5418 171.9725 4 T 5.0477 8.6665 115.8125 60.0440 72.5149 172.5296 5 L 4.5707 8.4901 124.3543 54.2268 45.5676 173.9825 6 C 4.7389 8.3903 124.4085 55.3630 42.3591 173.6216 7 G 3.5253 8.4977 108.5027 46.1680 0.0000 175.7328 8 A 4.0269 8.6177 120.2626 55.3457 18.3202 179.4583 9 E 3.8606 8.0613 116.5434 59.2768 29.5416 178.9526 10 L 3.8360 7.6314 120.0419 58.1987 42.2626 179.0948 11 V 3.5539 7.5826 117.4994 66.3865 31.4666 177.7995 12 D 4.4221 8.3479 118.2710 57.1319 40.5840 178.6681 13 A 4.0523 8.4338 121.9743 54.9479 18.3688 179.5989 14 L 3.6460 7.9507 117.8548 57.8188 41.4596 179.5056 15 Q 4.0994 7.7582 118.9116 59.1479 28.7998 178.0797 16 F 4.1171 8.1222 120.3115 61.3018 39.5505 176.8363 17 V 3.4678 8.0276 116.7114 66.2868 31.4248 176.9394 18 C 4.4264 8.0614 114.6712 59.3897 39.2743 175.4457 19 G 3.6770 8.7709 109.2323 45.1970 0.0000 174.2023 20 D 4.3915 8.7945 118.4679 57.4198 41.1875 177.7821 21 R 3.8006 8.1091 117.3179 57.8131 30.2733 177.5255 22 G 3.7359 8.8775 105.9310 44.6724 0.0000 171.5739 23 F 5.2818 7.2387 111.9280 55.6991 40.8654 172.8023 24 Y 4.7761 8.8353 118.7027 56.1797 40.4233 176.7396 25 F 4.7490 8.7964 120.9562 59.7472 39.6155 175.0525 26 N 6.1112 8.3455 116.1208 51.3140 42.4669 173.9938 27 K 4.6105 8.9088 119.5976 54.2979 36.2574 174.1298 28 P 4.8339 0.0000 0.0000 63.2271 32.2953 175.5731 29 T 4.3711 8.5250 119.2859 63.0077 70.2784 176.2221 30 G 3.7446 8.7688 115.4782 46.5671 0.0000 172.0824 31 Y 3.3598 9.1262 111.3218 59.3309 35.3737 170.3480 32 G 3.9168 8.0796 100.5464 46.7532 0.0000 173.8861 33 S 4.7153 7.4112 113.1787 56.0647 65.1376 174.3072 34 S 4.0756 8.3258 115.2340 60.2325 62.7576 174.5092 *38 A 4.0186 7.6858 122.9550 50.8184 19.4991 174.5162 39 P 4.4328 0.0000 0.0000 63.6057 32.3899 175.4278 40 Q 5.1552 8.5894 121.5262 54.8276 33.0585 173.8712 41 T 4.8312 8.9850 112.3599 59.8494 72.8178 172.8181 42 G 4.4944 8.4756 109.2874 44.2116 0.0000 173.9552 43 I 3.3298 8.0906 124.8454 63.6189 37.8010 178.6128 44 V 3.4221 7.5828 118.7831 65.8337 31.6386 176.9974 45 D 4.5795 8.1618 117.3285 57.6943 40.9804 178.0616 46 E 3.9728 7.9818 118.0643 59.8839 29.4841 178.8858 47 C 4.4165 8.3687 116.7070 60.0724 39.9697 175.7298 48 C 3.9067 7.8123 117.3875 59.0282 39.8470 175.1311 49 F 4.9075 7.5429 114.6668 57.4385 40.0162 175.3893 50 R 4.5292 8.3004 114.8300 55.6274 33.0385 175.2987 51 S 4.8574 7.7621 113.6027 57.9113 66.3317 175.1419 52 C 5.2088 9.2794 121.8922 55.1030 45.5407 172.4926 53 D 4.7058 8.3486 122.9207 51.1829 42.4453 176.0242 54 L 4.0522 8.7537 118.9536 57.9183 41.2748 179.9980 55 R 4.0440 8.0580 117.2984 59.8745 29.8628 179.4494 56 R 4.1893 8.4848 121.3419 61.1756 29.5006 180.8186 57 L 4.2425 7.9656 120.2236 57.8662 41.2829 179.5267 58 E 4.0711 8.3926 118.2058 59.7426 29.1255 179.2648 59 M 4.1842 7.9472 117.2106 57.3921 32.2933 176.5519 60 Y 4.6083 8.0619 115.5253 57.7687 38.8968 174.8076 61 C 5.0318 7.8730 117.7939 57.0246 40.8247 173.6173 62 A 4.7780 8.5192 124.9987 50.4555 19.3738 175.6235 63 P 4.3725 0.0000 0.0000 62.3413 32.2841 176.5950 64 L 4.1135 8.6011 120.7720 55.5401 41.5567 177.1746 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 2 P 0.00 4.42 0.00 2.19 2.17 0.00 3.70 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 1.88 1.96 0.00 3 E 7.78 4.66 0.00 2.08 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 2.24 2.35 0.00 4 T 8.67 5.05 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 1.19 0.00 0.00 5 L 8.49 4.57 0.00 1.54 1.45 0.86 0.87 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 6 C 8.39 4.74 0.00 2.75 2.76 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 7 G 8.50 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.62 4.03 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 9 E 8.06 3.86 0.00 1.98 1.96 0.00 0.00 0.00 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 2.33 0.00 10 L 7.63 3.84 0.00 1.73 1.80 0.81 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.58 3.55 2.27 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 1.13 0.00 0.00 1.15 0.00 0.00 12 D 8.35 4.42 0.00 2.71 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 13 A 8.43 4.05 1.35 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 0.00 0.00 14 L 7.95 3.65 0.00 0.85 0.13 0.45 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.76 4.10 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 16 F 8.12 4.12 0.00 3.04 3.28 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 17 V 8.03 3.47 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 0.87 0.00 0.00 1.10 0.00 0.00 18 C 8.06 4.43 0.00 3.12 3.24 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 0.00 19 G 8.77 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 4.39 0.00 2.65 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 21 R 8.11 3.80 0.00 1.77 2.18 0.00 3.24 0.00 0.00 3.43 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 22 G 8.88 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 23 F 7.24 5.28 0.00 3.15 2.91 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 24 Y 8.84 4.78 0.00 3.04 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 25 F 8.80 4.75 0.00 3.28 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 26 N 8.35 6.11 0.00 2.66 3.01 0.00 0.00 6.67 7.61 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 27 K 8.91 4.61 0.00 1.53 1.45 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.89 1.18 7.81 28 P 0.00 4.83 0.00 1.94 1.99 0.00 3.51 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 29 T 8.53 4.37 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 1.24 0.00 0.00 30 G 8.77 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 31 Y 9.13 3.36 0.00 3.05 2.99 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 0.00 0.00 0.00 32 G 8.08 3.92 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 0.00 0.00 0.00 33 S 7.41 4.72 0.00 3.93 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.33 4.08 0.00 3.84 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 *38 A 7.69 4.02 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.43 0.00 2.36 2.07 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 40 Q 8.59 5.16 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 41 T 8.98 4.83 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 42 G 8.48 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.09 3.33 0.56 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.19 0.81 0.00 0.00 44 V 7.58 3.42 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 0.86 0.00 0.00 0.89 0.00 0.00 45 D 8.16 4.58 0.00 2.98 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 46 E 7.98 3.97 0.00 2.19 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 2.39 2.61 0.00 47 C 8.37 4.42 0.00 2.93 3.22 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 0.00 48 C 7.81 3.91 0.00 1.45 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 0.00 0.00 0.00 0.00 49 F 7.54 4.91 0.00 3.14 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.30 4.53 0.00 2.25 1.76 0.00 3.32 0.00 0.00 3.27 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.39 0.00 51 S 7.76 4.86 0.00 3.83 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 C 9.28 5.21 0.00 3.00 2.91 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 53 D 8.35 4.71 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.75 4.05 0.00 1.73 1.79 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.06 4.04 0.00 1.98 2.09 0.00 3.05 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.72 0.00 56 R 8.48 4.19 0.00 1.85 1.97 0.00 3.28 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 57 L 7.97 4.24 0.00 1.86 1.74 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.39 4.07 0.00 2.22 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 2.34 2.54 0.00 59 M 7.95 4.18 0.00 1.88 2.36 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.57 0.00 60 Y 8.06 4.61 0.00 3.24 3.34 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 0.00 0.00 0.00 0.00 61 C 7.87 5.03 0.00 2.92 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.52 4.78 0.94 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 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.37 0.00 2.11 2.10 0.00 3.93 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 64 L 8.60 4.11 0.00 1.63 1.64 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.