NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *20 M 4.3631 8.3044 118.7933 53.9241 33.3908 175.5325 21 K 3.8246 8.2239 122.1507 54.4614 32.1341 174.7464 22 T 4.3436 8.7771 116.0447 60.9610 70.8044 172.6477 23 E 5.0319 6.8952 119.8819 55.0939 34.2079 175.0587 24 W 5.2130 9.2710 119.0927 53.4873 29.5310 174.9451 25 P 4.3370 0.0000 0.0000 65.4307 31.6777 178.9408 26 E 4.1783 8.2476 116.1546 58.0569 30.0224 177.9302 27 L 4.3929 8.1288 119.5766 55.4757 42.2816 176.8951 28 V 3.8429 7.2995 119.8515 64.1530 31.7045 176.3157 29 G 3.9672 9.2385 115.9058 45.3392 0.0000 173.7075 30 K 4.3542 7.8484 119.7098 55.0913 33.4149 176.5995 31 S 4.7620 8.5377 117.0276 57.8674 64.8762 175.6540 32 V 3.6111 8.3333 123.9928 65.0828 30.9587 178.6626 33 E 3.9002 8.0458 118.6204 59.2700 29.3426 178.7603 34 E 3.8892 8.3831 119.2052 59.0524 29.6101 178.5594 35 A 3.8756 8.0288 120.8466 55.1475 18.4111 179.7481 36 K 3.7334 8.0248 116.8998 59.3193 32.1538 179.5048 37 K 3.8558 7.9133 119.8561 59.4505 32.1895 179.0829 38 V 3.5590 7.9321 118.7008 66.1361 31.4074 178.0600 39 I 3.1506 7.5818 119.6753 64.1623 36.9171 178.4207 40 L 4.1598 8.0180 119.5027 57.3184 41.1457 179.5409 41 Q 4.0340 7.7003 117.8021 59.0540 28.7351 177.9395 42 D 4.7783 8.0429 118.7321 55.7977 42.4650 177.0339 43 K 4.6940 8.3897 120.3791 54.0258 32.5371 174.4510 44 P 4.6258 0.0000 0.0000 64.1122 31.8499 177.2626 45 A 4.3668 7.9018 118.6116 51.8105 18.8834 176.8867 46 A 4.2544 7.9288 119.5184 52.8940 19.3763 178.1055 47 Q 4.3473 9.4043 121.5530 54.7072 30.0006 174.6262 48 I 5.1926 8.0839 125.2705 59.0395 38.8897 175.2447 49 I 4.4559 8.2235 126.6935 59.0906 40.8798 173.8037 50 V 4.6892 8.3911 129.1531 61.6313 32.6913 174.7764 51 L 4.9636 8.9888 126.9417 52.0893 46.2380 174.2562 52 P 4.8754 0.0000 0.0000 62.2805 31.9653 176.9204 53 V 3.5700 8.6916 123.8561 62.5842 32.1195 175.9833 54 G 3.8339 8.8038 109.5121 46.8282 0.0000 173.3367 55 T 4.6056 7.7611 108.0346 59.4836 71.3433 173.2012 56 I 4.4498 7.9648 122.3909 59.9504 38.8892 175.6580 57 V 4.5997 7.8573 115.8922 59.2083 35.6617 175.4850 58 T 4.0678 8.3731 111.3487 62.5325 69.0035 174.1941 59 M 4.6652 8.3406 122.7176 55.1051 32.8017 176.1890 60 E 4.3673 8.0942 115.6479 55.7282 31.1973 174.7186 61 Y 4.6816 8.4474 120.8961 55.9129 40.3917 175.2097 62 R 4.3461 8.1072 126.9004 53.9945 31.6806 176.2673 63 I 3.4543 8.2246 124.5059 63.3986 38.2475 176.2844 64 D 4.5639 7.9266 117.9697 53.7710 40.2700 175.3459 65 R 4.8876 7.5499 121.7170 55.0049 32.6470 175.3163 66 V 4.6969 8.4562 124.4410 61.1531 34.2295 174.6526 67 R 4.6320 8.6708 127.2911 55.9256 31.3048 176.0443 68 L 4.7178 9.1953 122.6987 52.9014 44.6275 175.2350 69 A 5.0872 8.6024 125.7666 50.7540 20.7262 175.8637 70 V 4.9123 8.5994 116.5225 60.1283 34.8388 176.6560 71 D 4.8219 8.6894 124.0217 52.2635 40.9530 177.0863 72 R 4.0794 8.3803 114.3452 58.3611 29.5569 177.0811 73 L 4.2375 7.9782 117.0210 54.5169 42.3140 175.9478 74 D 4.4973 8.0511 117.9346 55.2366 40.1912 172.8376 75 N 5.2989 8.0721 113.6893 50.7425 40.7939 174.6814 76 I 3.8969 8.9141 122.3974 61.5539 37.4926 176.8576 77 A 4.8185 8.8380 127.7531 52.2133 20.5344 176.2464 78 Q 4.5682 7.6128 112.6783 53.5185 32.8831 174.7386 79 V 3.7718 8.3571 120.2958 62.7114 32.0263 174.1121 80 P 4.7315 0.0000 0.0000 62.9110 32.4306 175.5843 81 R 5.3918 8.3987 118.2767 54.6101 32.7256 174.7317 82 V 3.9835 8.7050 121.0936 62.4923 32.5406 176.3647 83 G 3.0225 8.3953 115.0635 45.2772 0.0000 172.7098 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 *20 M 8.30 4.36 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 21 K 8.22 3.82 0.00 1.62 1.65 0.00 1.10 0.00 0.00 1.46 0.00 0.00 2.96 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.32 0.50 7.81 22 T 8.78 4.34 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 1.25 0.00 0.00 23 E 6.90 5.03 0.00 1.81 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 2.16 2.19 0.00 24 W 9.27 5.21 0.00 3.35 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 25 P 0.00 4.34 0.00 2.24 2.34 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 26 E 8.25 4.18 0.00 2.18 2.29 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 2.47 2.36 0.00 27 L 8.13 4.39 0.00 1.95 1.75 0.76 0.64 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 28 V 7.30 3.84 2.11 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 0.81 0.00 0.00 1.03 0.00 0.00 29 G 9.24 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 0.00 0.00 0.00 30 K 7.85 4.35 0.00 1.90 1.73 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.53 7.81 31 S 8.54 4.76 0.00 4.21 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 32 V 8.33 3.61 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 0.86 0.00 0.00 0.89 0.00 0.00 33 E 8.05 3.90 0.00 2.05 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 2.38 2.40 0.00 34 E 8.38 3.89 0.00 2.01 1.92 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 2.29 2.31 0.00 35 A 8.03 3.88 1.28 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 0.00 0.00 36 K 8.02 3.73 0.00 1.90 1.79 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.55 7.81 37 K 7.91 3.86 0.00 1.81 1.92 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 38 V 7.93 3.56 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 1.06 0.00 0.00 0.96 0.00 0.00 39 I 7.58 3.15 1.50 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.37 0.00 0.00 40 L 8.02 4.16 0.00 1.69 1.68 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.70 4.03 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 42 D 8.04 4.78 0.00 3.25 3.04 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 43 K 8.39 4.69 0.00 1.96 1.85 0.00 1.89 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.49 7.81 44 P 0.00 4.63 0.00 2.09 2.11 0.00 3.80 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 45 A 7.90 4.37 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 46 A 7.93 4.25 1.25 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 0.00 0.00 0.00 47 Q 9.40 4.35 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 48 I 8.08 5.19 1.80 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.44 0.82 0.00 0.00 49 I 8.22 4.46 1.85 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 1.21 1.48 0.89 0.00 0.00 50 V 8.39 4.69 2.06 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 0.83 0.00 0.00 0.89 0.00 0.00 51 L 8.99 4.96 0.00 1.54 1.47 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.88 0.00 1.93 1.98 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 53 V 8.69 3.57 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 0.69 0.00 0.00 0.94 0.00 0.00 54 G 8.80 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 0.00 0.00 0.00 55 T 7.76 4.61 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 1.26 0.00 0.00 56 I 7.96 4.45 1.88 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 1.42 0.62 0.92 0.00 0.00 57 V 7.86 4.60 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.95 0.00 0.00 58 T 8.37 4.07 4.30 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 1.22 0.00 0.00 59 M 8.34 4.67 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 60 E 8.09 4.37 0.00 2.11 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 2.27 2.25 0.00 61 Y 8.45 4.68 0.00 2.90 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 62 R 8.11 4.35 0.00 1.68 1.86 0.00 3.33 0.00 0.00 3.08 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 63 I 8.22 3.45 1.90 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.77 0.91 0.00 0.00 64 D 7.93 4.56 0.00 2.84 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 65 R 7.55 4.89 0.00 1.87 1.87 0.00 3.00 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 66 V 8.46 4.70 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 0.81 0.00 0.00 0.94 0.00 0.00 67 R 8.67 4.63 0.00 1.74 1.83 0.00 3.22 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 68 L 9.20 4.72 0.00 1.47 1.51 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.60 5.09 1.25 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 0.00 0.00 0.00 70 V 8.60 4.91 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 0.69 0.00 0.00 1.02 0.00 0.00 71 D 8.69 4.82 0.00 2.89 2.83 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 72 R 8.38 4.08 0.00 1.94 2.10 0.00 3.02 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 73 L 7.98 4.24 0.00 1.81 1.74 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.05 4.50 0.00 2.95 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 75 N 8.07 5.30 0.00 3.08 2.78 0.00 0.00 7.07 6.98 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 76 I 8.91 3.90 2.05 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.94 0.94 0.00 0.00 77 A 8.84 4.82 1.26 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 0.00 0.00 78 Q 7.61 4.57 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 79 V 8.36 3.77 2.13 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 0.88 0.00 0.00 0.97 0.00 0.00 80 P 0.00 4.73 0.00 2.28 1.93 0.00 3.98 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 81 R 8.40 5.39 0.00 1.93 1.95 0.00 3.10 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 82 V 8.70 3.98 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.18 0.00 0.00 83 G 8.40 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.