NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4676 8.1627 118.3362 55.1707 33.5680 173.0032 2 Q 4.1520 8.5433 120.3191 56.5486 29.2409 175.0257 3 Y 4.8640 9.5847 124.0729 56.2051 42.4871 173.9460 4 K 4.7351 8.3369 117.8009 54.7676 36.1961 174.4808 5 L 4.4147 9.2455 130.1331 53.6505 43.7960 174.8107 6 I 4.5674 8.1429 127.8736 59.5786 39.6020 174.3433 7 L 4.6767 8.6598 129.5550 53.2521 44.2906 174.6160 8 N 4.7975 8.5361 123.5818 51.6728 41.8274 174.5685 9 G 4.1350 7.8642 110.3964 46.2089 0.0000 171.1645 10 K 4.3972 8.1133 115.7612 58.5681 33.6885 178.9799 11 T 4.0754 7.8155 112.7925 65.5079 68.7528 174.4765 12 L 4.7485 7.2335 121.4142 53.5411 45.3606 174.9318 13 K 4.5830 8.3555 123.0045 54.0545 36.2424 176.2583 14 G 4.0183 6.8333 108.4233 45.6882 0.0000 170.4889 15 E 5.1400 8.1572 118.1159 54.9076 33.0399 175.5439 16 T 4.8200 8.7923 114.0596 60.4117 72.5533 173.2207 17 T 5.1201 8.2859 117.4136 62.6282 72.5033 173.3423 18 T 4.8589 9.1824 118.9945 60.4953 71.8247 171.6638 19 E 5.3145 8.9538 125.5669 54.5534 31.7981 174.7946 20 A 4.9302 8.4109 128.4593 49.8404 21.7267 176.5443 21 V 3.7036 8.6021 117.3209 64.8743 31.7777 175.3589 22 D 4.5931 7.7375 116.6097 52.4598 44.6177 174.8132 23 A 4.3755 9.1922 120.9895 55.0300 18.1814 179.8056 24 A 4.0104 7.9803 118.3725 55.3200 18.3755 179.7262 25 T 3.8339 7.7751 113.5942 66.4779 68.8609 176.6517 26 A 3.8442 7.8211 122.4692 55.4673 18.1810 179.4550 27 E 4.3058 7.6155 115.3093 59.5777 29.3308 179.4487 28 K 3.8084 7.5061 117.8588 59.7253 32.5567 178.5574 29 V 3.6412 8.5473 119.5657 66.0505 31.4892 177.8070 30 F 4.1048 8.2324 117.6847 60.5910 38.4903 178.0791 31 K 3.4565 7.9900 117.3460 59.1633 31.8152 178.3854 32 Q 4.0469 7.7718 118.8332 59.8010 28.8888 178.5147 33 Y 3.8886 8.2247 115.5330 60.4007 38.9231 177.8949 34 F 5.2958 8.7585 119.4041 57.1202 38.8906 176.0166 35 N 5.0419 7.8211 113.0214 52.7859 38.6757 173.3916 36 D 4.7520 8.5115 118.6363 56.9440 47.3800 176.5144 37 N 3.9018 7.6961 118.3689 55.1877 35.8592 174.3557 38 G 4.1287 9.1300 103.6770 47.2364 0.0000 172.9544 39 V 4.1611 8.2930 118.8031 64.6794 32.6723 177.3879 40 D 4.4063 8.3914 116.1801 53.4351 38.3461 173.8990 41 G 3.9625 8.2869 108.6188 46.0431 0.0000 173.2053 42 E 4.2310 9.9704 120.9873 56.2721 30.6585 175.6374 43 W 4.8849 8.8905 125.6554 55.8676 31.3205 175.7668 44 T 4.9124 8.0890 117.7452 62.3098 72.9042 172.2264 45 Y 5.0296 8.6295 124.9201 55.8522 42.8476 173.2479 46 D 4.1369 8.7767 125.5151 52.7101 44.0475 175.2792 47 D 4.5637 8.3682 124.9093 56.3752 41.7209 177.5935 48 A 4.3131 7.7077 118.9492 53.5477 18.5533 177.5527 49 T 4.3990 9.6677 104.9957 60.2369 68.8417 175.3458 50 K 3.8743 7.8248 115.1051 58.3484 31.1873 172.9849 51 T 4.8335 7.9758 123.5757 63.3672 73.9351 172.1024 52 F 5.1207 8.6801 121.1081 56.1932 44.1535 174.4407 53 T 4.5010 8.2484 116.8936 62.0585 72.1950 172.9418 54 V 4.0833 8.1198 127.2763 61.5941 33.2350 175.2038 55 T 4.8955 8.5218 123.3713 62.4711 71.5908 173.5971 56 E 4.6114 8.7946 127.2246 57.0382 29.6731 176.7492 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 8.16 4.47 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.02 0.00 2 Q 8.54 4.15 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 3 Y 9.58 4.86 0.00 3.54 3.23 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 0.00 4 K 8.34 4.74 0.00 1.80 1.70 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.48 7.81 5 L 9.25 4.41 0.00 1.12 1.59 0.43 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.14 4.57 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.77 0.86 0.00 0.00 7 L 8.66 4.68 0.00 1.53 1.57 0.44 0.76 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 8 N 8.54 4.80 0.00 2.66 2.61 0.00 0.00 6.39 7.07 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 9 G 7.86 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.11 4.40 0.00 1.78 1.83 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.37 7.81 11 T 7.82 4.08 4.28 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 1.24 0.00 0.00 12 L 7.23 4.75 0.00 1.66 1.54 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.36 4.58 0.00 1.73 1.62 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.43 7.81 14 G 6.83 4.02 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 15 E 8.16 5.14 0.00 1.79 1.79 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 2.15 2.25 0.00 16 T 8.79 4.82 4.36 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 1.33 0.00 0.00 17 T 8.29 5.12 4.32 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 1.33 0.00 0.00 18 T 9.18 4.86 4.28 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 1.08 0.00 0.00 19 E 8.95 5.31 0.00 2.28 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 20 A 8.41 4.93 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 21 V 8.60 3.70 2.12 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 0.75 0.00 0.00 0.97 0.00 0.00 22 D 7.74 4.59 0.00 2.81 2.61 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 0.00 0.00 0.00 0.00 23 A 9.19 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.98 4.01 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 25 T 7.78 3.83 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 26 A 7.82 3.84 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.62 4.31 0.00 2.06 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 1.47 1.47 0.00 28 K 7.51 3.81 0.00 1.92 1.93 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.40 7.81 29 V 8.55 3.64 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.89 0.00 0.00 30 F 8.23 4.10 0.00 2.63 2.94 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 31 K 7.99 3.46 0.00 1.72 1.38 0.00 1.45 0.00 0.00 1.10 0.00 0.00 2.43 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.30 0.96 7.81 32 Q 7.77 4.05 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 33 Y 8.22 3.89 0.00 2.70 2.23 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 0.00 34 F 8.76 5.30 0.00 3.62 3.31 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 35 N 7.82 5.04 0.00 2.65 3.05 0.00 0.00 5.94 8.00 0.00 0.00 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 D 8.51 4.75 0.00 2.66 2.61 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 0.00 0.00 0.00 0.00 37 N 7.70 3.90 0.00 3.08 2.93 0.00 0.00 5.86 7.24 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 38 G 9.13 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.29 4.16 2.44 0.00 0.00 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 1.09 0.00 0.00 40 D 8.39 4.41 0.00 3.07 2.94 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 41 G 8.29 3.96 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 0.00 0.00 0.00 42 E 9.97 4.23 0.00 2.15 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 43 W 8.89 4.88 0.00 3.33 3.43 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 0.00 44 T 8.09 4.91 4.18 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 0.00 0.00 0.00 1.20 0.00 0.00 45 Y 8.63 5.03 0.00 3.22 2.88 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 46 D 8.78 4.14 0.00 2.53 2.32 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 47 D 8.37 4.56 0.00 2.49 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.71 4.31 1.23 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 0.00 0.00 0.00 49 T 9.67 4.40 4.17 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 1.16 0.00 0.00 50 K 7.82 3.87 0.00 1.94 2.02 0.00 1.21 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.28 1.45 7.81 51 T 7.98 4.83 4.12 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 1.12 0.00 0.00 52 F 8.68 5.12 0.00 2.60 2.28 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 53 T 8.25 4.50 4.12 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 1.10 0.00 0.00 54 V 8.12 4.08 1.69 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 0.84 0.00 0.00 0.01 0.00 0.00 55 T 8.52 4.90 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 56 E 8.79 4.61 0.00 2.07 1.77 0.00 0.00 0.00 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 2.34 0.00