NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4195 8.3049 120.3506 54.9781 33.4134 175.0467 2 I 3.6045 8.3503 127.1409 60.4097 37.8415 174.3886 3 N 4.8289 9.2920 124.2260 51.3574 41.3091 174.2042 4 E 3.9897 8.5926 128.3813 59.3557 29.7409 179.1006 5 I 3.6815 7.7526 119.2937 64.4528 37.1443 177.8894 6 E 3.9675 8.5536 119.9419 59.2495 29.4781 178.8798 7 I 3.7530 7.9030 119.7667 64.4209 37.1987 178.6219 8 K 4.0411 8.2822 119.3754 59.6855 31.9433 179.7766 9 R 3.9694 8.5504 118.7289 58.9416 29.8969 179.1132 10 K 3.9445 8.4372 119.9426 59.2849 32.1445 178.5154 11 F 4.0944 8.4711 121.1406 61.3898 39.2896 177.3258 12 G 3.8864 8.3984 106.5922 47.4568 0.0000 175.8259 13 R 3.9142 8.5653 120.9087 59.2812 29.9553 179.3776 14 T 3.5933 7.9033 115.6014 66.1227 68.2460 176.5348 15 L 3.9562 7.9701 122.6776 58.0698 42.0787 178.9590 16 K 3.9900 8.1053 119.5358 59.2568 32.1317 178.4000 17 K 3.7810 8.0093 119.8762 59.7423 32.1091 178.8105 18 I 3.6226 7.7695 120.0235 64.2229 37.0457 178.4080 19 R 3.8991 8.2872 120.1990 59.7004 29.9267 178.6929 20 T 3.8793 8.1031 109.7735 64.8363 68.5310 176.1592 21 Q 3.9475 7.9389 121.5116 58.7281 29.1527 177.7518 22 K 4.3228 7.9675 116.4445 55.9949 32.2691 177.2003 23 G 3.7992 7.9693 107.3954 46.3926 0.0000 173.5713 24 V 4.2383 7.6181 119.8215 60.3699 32.8020 176.4223 25 S 4.4139 8.4000 122.2747 58.1698 64.9804 175.0437 26 Q 3.9871 8.5577 121.2542 59.0261 28.3223 178.8167 27 E 3.9166 8.0998 119.8734 59.2703 29.7895 178.3113 28 E 3.9110 8.4612 119.6642 59.1121 29.6099 178.4258 29 L 3.9368 8.2161 120.3204 58.0606 42.1170 178.5703 30 A 4.0370 8.2290 120.8532 55.4491 17.7818 179.2617 31 D 4.3072 8.3244 117.2803 57.7766 40.7592 179.2833 32 L 4.0769 8.2267 118.0205 57.1707 41.7143 178.5577 33 A 4.4116 8.2782 118.7108 51.1742 19.4137 176.9378 34 G 3.8067 7.7937 104.0805 46.6843 0.0000 173.4395 35 L 4.7367 7.8968 116.9811 52.0208 46.0992 176.9285 36 H 4.7102 8.2573 116.7202 55.1597 30.8628 176.6331 37 R 3.9892 8.7132 124.2920 59.9897 29.9031 179.0103 38 T 3.8840 7.9820 109.0359 64.9744 68.6232 175.7144 39 Y 4.2866 7.8773 123.1651 59.9200 38.8778 177.4806 40 I 3.6634 8.0105 120.8247 64.5419 37.2571 178.2490 41 S 4.0576 8.3539 113.9954 61.4109 62.2713 175.9431 42 E 3.8897 8.1936 121.2272 59.4263 29.2119 179.5573 43 V 3.5391 7.7113 118.4099 66.1345 31.4742 177.9818 44 E 4.2414 8.4877 118.7098 58.8733 29.0636 178.5347 45 R 4.4293 7.8635 113.7033 56.1410 29.9897 177.1637 46 G 3.8996 7.9451 107.8660 46.2258 0.0000 173.9316 47 D 4.7048 8.0613 117.3213 53.9861 41.2958 176.6983 48 R 4.5844 7.4255 118.0500 54.2949 33.3143 175.7132 49 N 4.5250 8.5020 121.7781 51.8877 37.4016 172.9707 50 I 3.7633 7.4855 121.7609 60.1418 39.0470 176.5114 51 S 4.3340 8.5064 122.4040 57.8353 64.9910 174.7595 52 L 3.9044 8.5177 124.7470 58.7448 41.6542 179.4325 53 I 3.6707 7.7156 118.8182 64.7156 37.0434 178.0375 54 N 4.4452 8.3428 116.9717 55.8761 38.2788 177.6084 55 I 3.7241 8.1100 121.9843 64.6307 37.1550 177.7770 56 H 4.0954 8.5403 119.1750 59.2853 29.7206 177.4132 57 K 4.0158 8.2801 120.2787 59.5769 31.8973 179.5001 58 I 3.7817 8.0727 120.1971 64.5487 37.0665 178.3277 59 C 4.1726 8.3697 117.5781 62.7776 28.0010 176.0174 60 A 3.9706 8.2430 122.2980 55.1072 17.7301 179.4119 61 A 4.0143 7.9581 118.2617 55.1277 18.5244 178.9382 62 L 4.2767 7.7262 114.2727 53.6909 42.5936 176.2332 63 D 4.3816 8.0528 117.5743 55.0992 40.0347 173.3718 64 I 4.6786 7.8390 116.3021 57.6468 41.7155 173.3166 65 P 4.4704 0.0000 0.0000 62.2107 33.1848 177.4988 66 A 4.2517 8.7334 123.1241 55.4716 18.2701 180.2670 67 S 4.1923 8.2254 112.2841 62.2054 62.9124 176.9152 68 T 3.9201 7.8824 118.8215 66.0208 68.3070 176.1716 69 F 3.8517 8.3431 122.6950 61.5927 39.3288 177.3461 70 F 4.1056 8.9458 117.4357 60.3129 38.6786 177.6436 71 R 4.1943 8.3199 119.9444 58.9184 29.6770 178.6887 72 K 4.0323 7.8724 116.9701 59.6697 32.4078 178.6711 73 M 3.9815 7.7856 118.3726 58.6769 32.1622 178.2078 74 E 4.0866 8.5058 118.9669 59.1279 29.4077 178.6355 75 E 4.2471 8.0214 117.0221 57.7274 29.6439 178.2912 76 E 3.9399 7.7914 121.7591 59.6909 29.8778 176.7028 *77 N 4.5390 7.9897 118.4049 52.4666 38.4595 175.6456 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 1 M 8.30 4.42 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 2 I 8.35 3.60 1.88 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 1.31 0.28 0.93 0.00 0.00 3 N 9.29 4.83 0.00 2.72 2.75 0.00 0.00 7.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.59 3.99 0.00 2.06 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 2.41 2.41 0.00 5 I 7.75 3.68 2.02 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 1.53 0.53 0.92 0.00 0.00 6 E 8.55 3.97 0.00 2.15 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 2.33 2.37 0.00 7 I 7.90 3.75 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.86 0.99 0.00 0.00 8 K 8.28 4.04 0.00 1.80 1.93 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.64 7.81 9 R 8.55 3.97 0.00 1.89 1.99 0.00 3.13 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 10 K 8.44 3.94 0.00 1.95 2.00 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.59 7.81 11 F 8.47 4.09 0.00 3.27 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 12 G 8.40 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.57 3.91 0.00 1.90 1.93 0.00 3.10 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 14 T 7.90 3.59 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 0.20 0.00 0.00 15 L 7.97 3.96 0.00 1.73 1.85 1.05 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.11 3.99 0.00 1.84 1.88 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 17 K 8.01 3.78 0.00 1.83 1.83 0.00 1.53 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.41 7.81 18 I 7.77 3.62 1.75 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.46 0.89 0.00 0.00 19 R 8.29 3.90 0.00 1.89 2.03 0.00 3.35 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 1.74 1.64 0.00 20 T 8.10 3.88 4.22 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 1.27 0.00 0.00 21 Q 7.94 3.95 0.00 2.07 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.04 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 22 K 7.97 4.32 0.00 1.98 1.83 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.54 7.81 23 G 7.97 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 0.00 0.00 0.00 24 V 7.62 4.24 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 0.86 0.00 0.00 1.00 0.00 0.00 25 S 8.40 4.41 0.00 4.10 3.99 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 26 Q 8.56 3.99 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 27 E 8.10 3.92 0.00 2.09 1.95 0.00 0.00 0.00 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 2.44 0.00 28 E 8.46 3.91 0.00 2.07 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 2.32 2.33 0.00 29 L 8.22 3.94 0.00 1.82 1.84 0.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.23 4.04 1.48 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 0.00 0.00 0.00 31 D 8.32 4.31 0.00 2.87 2.74 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 32 L 8.23 4.08 0.00 1.60 1.75 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.28 4.41 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 34 G 7.79 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.90 4.74 0.00 1.65 1.57 1.05 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.26 4.71 0.00 3.27 3.24 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.71 3.99 0.00 1.92 1.98 0.00 3.20 0.00 0.00 3.57 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 38 T 7.98 3.88 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 1.23 0.00 0.00 39 Y 7.88 4.29 0.00 3.14 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 40 I 8.01 3.66 2.06 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 1.73 0.86 0.95 0.00 0.00 41 S 8.35 4.06 0.00 3.88 4.04 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 0.00 0.00 0.00 42 E 8.19 3.89 0.00 2.05 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 2.31 2.40 0.00 43 V 7.71 3.54 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 1.15 0.00 0.00 0.27 0.00 0.00 44 E 8.49 4.24 0.00 2.16 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 2.35 2.50 0.00 45 R 7.86 4.43 0.00 1.97 2.03 0.00 3.07 0.00 0.00 3.22 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.73 0.00 46 G 7.95 3.90 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 0.00 0.00 0.00 47 D 8.06 4.70 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.43 4.58 0.00 1.55 1.72 0.00 3.35 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.06 0.00 49 N 8.50 4.53 0.00 2.64 2.73 0.00 0.00 7.06 7.94 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 50 I 7.49 3.76 1.60 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.02 0.04 0.00 0.00 51 S 8.51 4.33 0.00 4.07 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.52 3.90 0.00 1.75 1.71 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.72 3.67 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.66 0.88 0.00 0.00 54 N 8.34 4.45 0.00 2.83 3.01 0.00 0.00 7.08 6.66 0.00 0.00 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 I 8.11 3.72 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.73 1.08 0.00 0.00 56 H 8.54 4.10 0.00 3.33 3.51 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 57 K 8.28 4.02 0.00 1.88 2.00 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.67 7.81 58 I 8.07 3.78 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.97 0.96 0.00 0.00 59 C 8.37 4.17 0.00 3.01 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 60 A 8.24 3.97 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 61 A 7.96 4.01 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 62 L 7.73 4.28 0.00 1.70 1.75 1.00 0.99 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 63 D 8.05 4.38 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.84 4.68 1.92 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 1.38 1.10 1.07 0.00 0.00 65 P 0.00 4.47 0.00 2.25 1.99 0.00 3.71 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 2.14 2.17 0.00 66 A 8.73 4.25 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.23 4.19 0.00 4.12 4.19 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 68 T 7.88 3.92 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 69 F 8.34 3.85 0.00 3.18 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 70 F 8.95 4.11 0.00 3.31 3.39 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 71 R 8.32 4.19 0.00 2.04 2.10 0.00 3.16 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.56 0.00 72 K 7.87 4.03 0.00 1.65 1.63 0.00 1.61 0.00 0.00 1.46 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.53 7.81 73 M 7.79 3.98 0.00 2.14 1.72 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 74 E 8.51 4.09 0.00 2.24 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 2.41 2.54 0.00 75 E 8.02 4.25 0.00 2.07 1.97 0.00 0.00 0.00 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 2.47 0.00 76 E 7.79 3.94 0.00 2.00 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 2.29 2.27 0.00 *77 N 7.99 4.54 0.00 2.53 2.62 0.00 0.00 6.50 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.