NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 V 3.7515 8.0549 114.0565 61.3790 32.9370 176.4105 10 P 3.3809 0.0000 0.0000 63.7731 27.8788 172.7048 11 P 3.6129 0.0000 0.0000 59.7794 34.1187 174.6714 12 A 4.2965 8.0829 122.8854 51.7035 19.5708 176.9386 13 L 4.4149 8.1546 120.5983 54.0946 43.5886 175.3764 14 H 5.1618 8.5507 121.5689 53.9087 31.5119 173.1936 15 L 4.3680 9.6097 128.2672 54.1975 42.6432 176.2053 16 V 4.1217 9.2496 128.9168 62.7084 32.1303 174.9131 17 D 4.6149 8.4174 128.4927 51.5885 42.7238 176.7792 18 P 4.2786 0.0000 0.0000 66.2647 31.4897 178.7881 19 Q 3.9205 7.5996 114.7464 58.3804 28.9983 177.7719 20 I 4.5903 7.5288 118.3393 59.2639 40.0108 174.4883 21 Q 4.7088 8.2918 122.5228 54.3365 33.1865 174.1433 22 L 4.5003 8.9145 123.4188 55.3317 43.7719 175.6358 23 T 5.3848 8.3280 117.9648 62.0698 72.4695 173.1499 24 I 4.7082 8.1538 124.6452 59.0867 41.2524 174.2808 25 T 3.7654 8.6647 115.5822 61.6500 67.9237 171.8145 *39 D 4.3514 8.1181 127.6897 53.6539 42.6391 170.9090 40 P 4.0436 0.0000 0.0000 62.1064 31.1159 174.5994 41 K 4.2712 9.2891 121.1827 56.0669 35.5492 176.1031 42 V 5.2568 7.9355 124.9877 60.4725 33.5695 174.1894 43 Y 4.9298 8.4763 124.7285 55.2183 41.1931 173.6381 44 P 4.8692 0.0000 0.0000 63.1745 33.2904 174.7197 45 I 4.8909 7.9703 120.1969 59.6542 40.1667 174.9694 46 I 5.0117 8.6472 125.9163 59.4600 40.5867 174.3809 47 L 5.1443 8.4949 125.9012 53.3417 44.1300 177.6518 48 R 3.7404 8.6799 123.6303 58.8768 30.6428 175.3427 49 L 3.5035 8.1087 126.3472 55.2801 39.9199 173.1650 50 G 3.9033 8.5701 114.1559 45.5661 0.0000 172.1144 51 S 4.7319 7.7722 112.3635 56.5358 66.1556 173.6461 52 N 4.8354 7.9845 118.6387 54.8938 37.7618 173.8650 53 L 3.6937 6.4410 118.0339 52.7483 43.5261 176.9923 54 S 4.7712 8.4228 116.6776 56.2161 64.8322 172.7810 55 L 5.0049 8.2459 127.9421 53.3099 45.1748 175.0107 56 S 5.0080 8.4637 118.8762 56.9811 66.4805 172.6718 57 M 4.4509 8.7632 122.3268 54.6621 33.3224 174.6579 58 A 5.5708 8.4208 127.0236 49.8060 22.0502 175.6426 59 R 4.8528 8.3083 117.2406 54.5714 35.0223 174.8743 60 R 4.0437 8.8161 121.8223 56.4670 30.8834 176.9944 61 N 4.5395 9.1767 124.6718 52.3843 37.2913 173.9964 62 L 4.5137 7.9329 120.1953 54.1091 42.0433 176.9017 63 D 4.7868 7.8549 114.8381 52.7195 40.5019 174.2442 64 S 4.6347 7.6200 113.1852 57.7229 65.4046 173.0306 65 L 4.7030 9.6223 119.1811 55.1590 42.1068 176.3432 66 E 4.4106 8.1532 115.8013 56.2646 31.0144 175.8627 67 A 4.4334 7.7340 122.7977 50.6835 19.8914 177.2574 68 R 3.8613 8.5461 118.7614 56.8197 30.7974 176.3465 69 A 3.9986 8.7020 124.4670 54.8462 18.6256 176.8631 70 F 5.3242 8.0527 111.8289 55.8480 42.2867 174.9287 71 Q 4.3442 9.5553 125.2825 54.9647 29.8380 174.6035 72 S 4.7469 8.6654 122.9403 58.0224 63.1724 173.9159 73 T 4.4712 9.1988 126.6317 60.6504 68.7020 171.6135 74 P 4.5401 0.0000 0.0000 62.6250 32.2631 175.2374 75 I 4.5438 8.7878 124.7968 59.3838 39.3132 176.1836 76 V 3.7826 8.3787 126.4077 60.8244 31.0657 175.7387 77 V 4.0322 8.1532 125.8087 61.7320 31.7236 175.1276 78 Q 4.4851 8.6837 130.6692 55.9441 29.3559 175.3940 79 M 4.4528 8.0499 113.0169 56.1230 31.5612 175.3955 80 T 4.6808 9.3718 118.4503 61.7054 71.7009 173.2685 81 K 4.6553 8.6129 126.5572 55.8120 33.2180 175.7178 82 L 4.6232 9.0455 127.5590 53.6923 42.9902 175.9337 83 A 4.4181 8.8461 124.4777 53.5906 20.5991 177.0186 84 T 4.5693 7.5079 110.0372 60.3777 69.6391 174.8035 85 T 4.1102 8.3012 120.8528 63.4030 67.6681 175.3131 86 E 4.2281 7.9953 120.9033 58.8357 29.9170 177.3306 87 E 4.0545 7.6919 117.4879 58.6357 29.6145 177.1369 88 L 4.2438 7.1593 117.9610 53.4232 42.5595 173.5052 89 P 5.0183 0.0000 0.0000 60.9750 33.7594 174.8288 90 D 4.4778 8.7436 117.2776 56.4545 40.8429 176.7375 91 E 4.4979 8.0580 118.1640 54.4276 31.5995 174.7482 92 F 5.1853 7.6180 117.3048 56.0203 41.1480 173.6496 93 V 4.2783 8.5125 113.5468 59.9895 33.6456 175.3869 94 V 4.7194 8.3287 124.6740 61.2981 33.2248 175.7501 95 V 3.8983 8.9293 130.5018 62.1639 31.1255 174.0559 96 T 4.2831 8.3255 121.8638 62.5014 67.9829 175.1555 97 A 4.4673 8.0266 135.0000 51.0564 16.6413 177.4870 98 K 4.0961 7.6705 124.6379 57.0053 33.0488 177.3314 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 9 V 8.05 3.75 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 0.90 0.00 0.00 0.93 0.00 0.00 10 P 0.00 3.38 0.00 2.20 2.39 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.17 0.00 11 P 0.00 3.61 0.00 2.07 2.42 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 12 A 8.08 4.30 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 13 L 8.15 4.41 0.00 1.52 1.51 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.55 5.16 0.00 2.99 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 9.61 4.37 0.00 1.44 1.51 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 16 V 9.25 4.12 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 0.94 0.00 0.00 0.93 0.00 0.00 17 D 8.42 4.61 0.00 2.90 2.57 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 0.00 0.00 0.00 0.00 18 P 0.00 4.28 0.00 2.03 2.11 0.00 3.71 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 2.07 0.00 19 Q 7.60 3.92 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 20 I 7.53 4.59 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 1.30 0.68 0.92 0.00 0.00 21 Q 8.29 4.71 0.00 1.90 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.03 0.00 0.00 0.00 0.00 0.00 2.30 2.60 0.00 22 L 8.91 4.50 0.00 1.85 1.65 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.33 5.38 4.27 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 1.23 0.00 0.00 24 I 8.15 4.71 1.97 0.00 0.00 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 1.79 1.05 0.94 0.00 0.00 25 T 8.66 3.77 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 1.22 0.00 0.00 *39 D 8.12 4.35 0.00 2.94 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.04 0.00 2.19 2.12 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 41 K 9.29 4.27 0.00 1.66 1.94 0.00 1.41 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.77 1.64 7.81 42 V 7.94 5.26 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 0.92 0.00 0.00 0.89 0.00 0.00 43 Y 8.48 4.93 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 44 P 0.00 4.87 0.00 2.14 2.23 0.00 3.86 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 45 I 7.97 4.89 1.90 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 1.29 0.66 0.94 0.00 0.00 46 I 8.65 5.01 1.90 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.34 0.84 0.00 0.00 47 L 8.49 5.14 0.00 1.61 1.54 0.92 0.92 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 48 R 8.68 3.74 0.00 1.74 1.99 0.00 3.34 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 49 L 8.11 3.50 0.00 1.79 1.70 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.57 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 51 S 7.77 4.73 0.00 3.95 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.98 4.84 0.00 2.66 2.75 0.00 0.00 7.02 7.78 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 53 L 6.44 3.69 0.00 1.66 1.53 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.42 4.77 0.00 3.78 3.70 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 55 L 8.25 5.00 0.00 1.75 1.43 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.46 5.01 0.00 3.84 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 M 8.76 4.45 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 58 A 8.42 5.57 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.31 4.85 0.00 1.80 1.83 0.00 3.33 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 60 R 8.82 4.04 0.00 1.72 1.76 0.00 3.25 0.00 0.00 2.71 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.70 0.00 61 N 9.18 4.54 0.00 2.67 2.75 0.00 0.00 7.19 7.66 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 62 L 7.93 4.51 0.00 1.66 1.64 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.85 4.79 0.00 2.69 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 64 S 7.62 4.63 0.00 3.78 3.94 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 65 L 9.62 4.70 0.00 1.56 1.65 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.15 4.41 0.00 2.06 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 0.00 2.17 2.21 0.00 67 A 7.73 4.43 1.29 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 0.00 0.00 0.00 68 R 8.55 3.86 0.00 1.83 2.07 0.00 3.27 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 69 A 8.70 4.00 1.12 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 0.00 0.00 70 F 8.05 5.32 0.00 2.90 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 71 Q 9.56 4.34 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 72 S 8.67 4.75 0.00 3.94 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 73 T 9.20 4.47 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 1.22 0.00 0.00 74 P 0.00 4.54 0.00 1.93 2.03 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 75 I 8.79 4.54 1.87 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 1.28 0.71 0.91 0.00 0.00 76 V 8.38 3.78 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 0.69 0.00 0.00 0.93 0.00 0.00 77 V 8.15 4.03 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 0.82 0.00 0.00 0.98 0.00 0.00 78 Q 8.68 4.49 0.00 2.07 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 79 M 8.05 4.45 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 80 T 9.37 4.68 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 1.20 0.00 0.00 81 K 8.61 4.66 0.00 1.84 1.71 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.19 1.42 7.81 82 L 9.05 4.62 0.00 1.55 1.51 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.85 4.42 1.24 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 0.00 0.00 84 T 7.51 4.57 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 85 T 8.30 4.11 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 1.24 0.00 0.00 86 E 8.00 4.23 0.00 1.99 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 2.31 2.29 0.00 87 E 7.69 4.05 0.00 1.93 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 2.26 0.00 88 L 7.16 4.24 0.00 1.78 1.49 0.76 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 5.02 0.00 2.27 2.12 0.00 3.73 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 2.26 2.07 0.00 90 D 8.74 4.48 0.00 2.71 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 91 E 8.06 4.50 0.00 2.01 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 0.00 2.20 2.26 0.00 92 F 7.62 5.19 0.00 3.17 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.51 4.28 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 0.54 0.00 0.00 1.07 0.00 0.00 94 V 8.33 4.72 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 0.88 0.00 0.00 1.22 0.00 0.00 95 V 8.93 3.90 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.95 0.00 0.00 96 T 8.33 4.28 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 1.22 0.00 0.00 97 A 8.03 4.47 1.31 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 0.00 0.00 0.00 98 K 7.67 4.10 0.00 1.88 1.80 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.