NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8464 8.3549 109.7361 45.2254 0.0000 173.2905 2 K 4.2538 8.3930 120.2465 52.3546 33.2875 174.7441 3 K 4.3377 8.3036 123.9418 55.9632 35.0316 176.7538 4 S 4.6451 8.0803 115.7388 56.6869 66.3717 175.0386 5 K 3.8408 8.4375 121.4475 59.5809 31.7550 178.2342 6 A 3.9451 7.9153 120.3027 55.5656 18.3563 179.3912 7 T 3.7945 7.5334 113.8353 66.7916 68.5743 176.6055 8 K 3.8980 8.3635 121.6754 59.5157 32.1838 178.9130 9 K 3.9994 8.0048 118.7092 59.4157 31.9028 179.5835 10 R 3.8850 8.0997 118.3223 59.3537 30.0866 178.9431 11 L 3.9600 8.2427 118.8457 57.8217 41.5768 179.4771 12 A 3.9938 8.0906 120.5321 54.9734 18.3085 179.5433 13 K 3.8286 7.8973 117.9403 59.8339 32.1270 178.8084 14 L 4.0128 7.8290 117.8060 58.1152 41.8125 178.8843 15 D 4.4683 8.1820 117.8407 57.1295 40.9842 177.8634 16 N 4.3495 8.1317 117.8289 56.6965 38.8425 176.7937 17 Q 4.1677 8.5691 118.0471 57.8552 28.7125 176.8662 18 N 4.8060 7.5164 117.5268 52.8349 39.2407 174.4589 19 S 4.5780 7.1790 114.0043 56.6486 64.8727 173.2637 20 R 4.3251 7.9829 120.7074 54.4922 31.1450 175.7369 21 V 3.5984 8.0550 121.7262 61.6958 31.9415 174.0203 22 P 4.2258 0.0000 0.0000 63.1204 31.7113 176.5742 23 A 3.9337 8.9975 123.4985 55.4467 18.2023 180.0789 24 W 4.2870 8.4005 114.3545 59.8727 27.9276 178.3125 25 V 2.9150 6.6075 118.5195 65.1484 30.7447 178.0356 26 M 3.9707 7.9946 119.3356 58.3659 31.6979 178.6089 27 L 4.0302 7.7852 118.6943 57.6593 41.7318 179.2933 28 K 4.1622 8.2917 118.6814 58.4569 32.2083 177.8583 29 T 4.4217 7.3242 106.9888 60.2637 69.3678 173.5745 30 D 4.2939 8.5415 119.8373 55.3598 39.2618 170.2422 31 E 3.7351 7.9215 123.1851 55.7409 30.2574 174.7021 *35 R 3.8216 8.3268 120.2549 56.0390 31.0823 174.5690 36 N 4.6390 8.4133 121.7527 52.1192 39.0158 173.9042 37 H 4.5085 8.5341 122.3821 56.9815 29.0855 176.3347 38 K 4.5861 8.0144 118.8072 55.9373 32.3365 176.4954 39 R 3.9964 7.9636 118.6183 56.1828 30.3965 176.2062 40 R 4.4585 8.3665 122.1158 54.6108 32.4323 173.8815 41 H 4.6792 8.6096 125.6326 54.7167 30.9414 175.8880 42 W 4.2133 8.4762 123.1485 59.4733 28.2835 177.4913 43 R 3.6994 6.1148 117.7918 58.6540 29.6447 177.6932 44 R 3.9110 7.7091 114.7763 58.1162 30.2481 176.0238 45 N 4.9710 7.7886 114.0323 51.2475 41.2044 173.1716 46 D 4.7186 8.1814 117.5276 52.8949 44.0249 175.0030 47 T 4.3584 8.3157 116.2808 60.4550 70.5976 173.3689 48 D 4.6044 8.1653 121.8964 53.9809 42.3970 176.8127 49 E 4.1448 8.6595 118.4248 57.0767 28.9038 174.8793 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 G 8.35 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.39 4.25 0.00 1.80 1.74 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.43 7.81 3 K 8.30 4.34 0.00 1.86 1.80 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.41 7.81 4 S 8.08 4.65 0.00 4.06 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 5 K 8.44 3.84 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.92 3.95 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 7 T 7.53 3.79 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 1.26 0.00 0.00 8 K 8.36 3.90 0.00 1.88 2.00 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 9 K 8.00 4.00 0.00 2.05 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.71 7.81 10 R 8.10 3.89 0.00 2.02 1.98 0.00 3.36 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 1.65 1.81 0.00 11 L 8.24 3.96 0.00 1.80 1.73 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.09 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.90 3.83 0.00 1.87 1.99 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 14 L 7.83 4.01 0.00 1.86 1.76 0.94 0.99 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 15 D 8.18 4.47 0.00 2.81 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.13 4.35 0.00 2.86 2.95 0.00 0.00 7.17 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 17 Q 8.57 4.17 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.20 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 18 N 7.52 4.81 0.00 2.98 2.90 0.00 0.00 7.12 8.40 0.00 0.00 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 S 7.18 4.58 0.00 4.00 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 20 R 7.98 4.33 0.00 1.78 1.85 0.00 3.23 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 21 V 8.05 3.60 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 0.69 0.00 0.00 0.89 0.00 0.00 22 P 0.00 4.23 0.00 2.04 2.32 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.99 0.00 23 A 9.00 3.93 1.39 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 0.00 0.00 24 W 8.40 4.29 0.00 3.63 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.61 2.92 1.66 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 0.66 0.00 0.00 -0.68 0.00 0.00 26 M 7.99 3.97 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.83 0.00 27 L 7.79 4.03 0.00 1.90 1.76 0.99 0.64 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 28 K 8.29 4.16 0.00 2.06 1.87 0.00 2.20 0.00 0.00 2.10 0.00 0.00 3.21 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.56 7.81 29 T 7.32 4.42 4.20 0.00 0.00 0.00 0.00 0.00 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 30 D 8.54 4.29 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 31 E 7.92 3.74 0.00 2.13 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 2.21 2.25 0.00 *35 R 8.33 3.82 0.00 1.74 1.65 0.00 3.22 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 36 N 8.41 4.64 0.00 2.60 2.68 0.00 0.00 7.25 7.89 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 37 H 8.53 4.51 0.00 3.16 3.34 0.00 5.91 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.01 4.59 0.00 1.86 1.80 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.39 7.81 39 R 7.96 4.00 0.00 1.79 1.88 0.00 3.19 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 40 R 8.37 4.46 0.00 1.73 1.81 0.00 3.26 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 41 H 8.61 4.68 0.00 3.18 3.03 0.00 5.93 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.48 4.21 0.00 3.52 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.11 3.70 0.00 0.67 1.26 0.00 2.47 0.00 0.00 2.89 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.19 0.00 44 R 7.71 3.91 0.00 1.76 1.91 0.00 3.31 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 45 N 7.79 4.97 0.00 2.92 2.74 0.00 0.00 6.68 7.37 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 46 D 8.18 4.72 0.00 2.57 2.48 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 47 T 8.32 4.36 4.26 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 1.24 0.00 0.00 48 D 8.17 4.60 0.00 2.70 2.68 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 49 E 8.66 4.14 0.00 2.12 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 0.00 2.18 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.