NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2147 8.4449 121.4670 56.2464 30.8199 176.6333 2 T 4.0857 7.9495 121.1198 60.2318 67.6609 170.3003 3 V 3.5152 8.3992 127.2193 64.7031 31.5432 177.6591 4 E 3.8889 8.0414 119.4687 59.2589 29.5832 178.8065 5 S 4.0793 7.7858 114.5988 61.8543 62.9689 176.9563 6 C 3.9615 8.0035 117.8834 59.7780 39.9135 175.5957 7 L 3.9674 7.4384 118.1243 56.1473 41.9294 178.3132 8 A 4.1697 7.8419 119.4710 53.2864 18.3347 177.2835 9 K 3.9297 7.6690 117.4954 55.6733 32.4111 175.3582 10 P 4.5478 0.0000 0.0000 63.8475 31.3294 174.5424 11 H 3.7844 8.3189 117.6896 56.3117 25.6594 173.4933 12 T 4.6989 8.8064 121.5376 63.2196 66.6110 169.9333 13 E 4.3567 7.9222 128.2403 57.2483 29.8562 176.3896 14 N 4.1496 7.8213 126.5978 55.1926 44.8074 172.2330 15 S 3.5643 7.2096 109.7227 59.3039 66.0164 175.3113 16 F 3.8213 6.4038 119.2766 58.1927 42.3317 172.6421 17 T 4.6789 6.3397 118.1228 60.9843 69.7859 173.1328 18 N 4.4085 8.6898 119.3743 53.8804 37.3526 173.9633 19 V 4.1409 7.8224 116.3602 63.4238 32.6213 174.8879 20 W 5.3057 8.8656 120.5848 54.9530 32.1219 173.5547 21 K 4.3358 8.7832 120.6964 55.4609 34.2202 175.2298 22 D 5.0085 8.5129 127.1866 53.5706 42.0762 176.6934 23 D 4.5104 8.7929 125.2298 56.5201 41.4125 178.3001 24 K 4.1728 7.7542 117.7233 59.7799 32.3860 179.0489 25 T 4.0946 7.7604 109.5456 61.9471 69.7858 173.2870 26 L 3.4893 8.0269 119.1606 53.6910 38.8105 171.8396 27 D 4.2307 7.1014 118.6518 54.1350 44.4259 174.4296 28 R 4.2312 6.7606 121.2507 55.9440 31.7216 174.6995 29 Y 5.6246 7.9751 119.7271 56.6512 43.2846 173.5811 30 A 4.8362 8.8485 124.0116 50.0909 21.7672 175.1145 31 N 4.4520 8.9017 122.2629 52.8806 38.5551 174.7743 32 Y 4.0880 8.6880 134.1681 59.4901 38.4317 177.0154 33 E 3.7512 9.3767 112.7316 59.8232 26.8737 174.2821 34 G 4.1440 8.8900 113.1309 44.5338 0.0000 171.6825 35 C 4.9707 7.8409 117.8267 54.4279 43.8699 173.0749 36 L 5.3396 8.5310 123.9233 53.5803 44.9561 175.9666 37 W 5.1315 9.2882 126.7443 55.8457 31.9649 175.0029 38 N 5.0620 9.3533 118.7436 52.2472 41.5394 172.9599 39 A 4.2964 8.0542 127.9410 51.5068 20.6817 175.5833 40 T 3.8260 8.3990 114.9181 61.7008 66.6979 174.5440 41 G 3.7798 5.3800 107.1448 46.0903 0.0000 172.7843 42 V 3.5404 7.4023 129.1978 62.2634 30.6625 174.6825 43 V 4.2075 7.5646 122.7143 60.3406 34.2221 174.2612 44 V 3.7160 8.5214 128.9470 64.0383 32.2548 174.1110 45 C 5.6808 8.8409 124.7331 55.6171 38.5919 173.3368 46 T 4.5547 8.7042 115.7492 60.8602 71.1809 172.6024 47 G 3.7640 8.7103 112.0158 46.7248 0.0000 174.1862 48 D 4.3524 8.6236 112.2983 54.8242 39.0128 174.5919 49 E 3.9058 8.1779 116.1561 57.6947 26.2950 175.6375 50 T 4.1852 8.0517 116.5088 63.9959 67.9789 174.0969 51 Q 4.9845 7.9048 120.1391 54.3896 32.0311 174.4845 52 C 5.9427 8.8828 118.7209 57.1322 40.3205 171.6336 53 Y 5.3983 8.9800 119.8447 55.8348 42.4275 172.8952 54 G 3.4936 5.8818 111.1264 44.2790 0.0000 175.0451 55 T 4.6226 7.9688 117.9442 59.4012 70.7386 173.5656 56 W 5.4672 8.6371 126.3574 52.9068 29.2689 174.4106 57 V 4.0825 8.0021 114.4279 61.3216 32.5422 174.3449 58 P 4.6209 0.0000 0.0000 62.8630 31.4943 175.4215 59 I 4.5568 8.3637 113.1331 61.3380 43.9967 174.6692 60 G 4.2720 7.6946 107.9727 43.0822 0.0000 173.1828 61 L 4.0678 8.8008 118.1112 55.7975 42.0000 177.4600 62 A 5.2518 7.2405 125.6168 51.2451 20.9727 177.6450 63 I 5.0549 7.7136 135.0000 63.2943 37.3535 173.6500 64 P 4.4181 0.0000 0.0000 62.1192 31.9745 177.6633 65 E 4.0851 8.2417 119.1526 56.3333 30.4693 176.5243 66 N 4.4362 8.9283 113.7418 56.2461 39.5318 177.7737 67 A 4.0081 7.9577 119.2224 53.0477 18.8558 176.1593 68 A 3.3462 7.4964 115.8922 54.5592 16.2515 178.2768 69 A 3.9554 7.8024 119.1025 53.1215 16.3125 177.1813 70 H 4.5495 7.8352 123.0194 55.7073 30.0632 173.7062 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 E 8.44 4.21 0.00 1.95 1.89 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 2.32 2.36 0.00 2 T 7.95 4.09 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 3 V 8.40 3.52 2.04 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 0.84 0.00 0.00 0.88 0.00 0.00 4 E 8.04 3.89 0.00 2.03 1.96 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 2.36 2.38 0.00 5 S 7.79 4.08 0.00 3.86 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 6 C 8.00 3.96 0.00 2.94 2.97 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 7 L 7.44 3.97 0.00 1.76 1.68 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.84 4.17 1.36 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 0.00 0.00 9 K 7.67 3.93 0.00 1.65 1.80 0.00 1.05 0.00 0.00 0.61 0.00 0.00 2.82 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.43 7.81 10 P 0.00 4.55 0.00 2.34 2.29 0.00 4.31 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 11 H 8.32 3.78 0.00 3.44 3.52 0.00 5.70 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.81 4.70 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 13 E 7.92 4.36 0.00 2.05 2.05 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 2.41 2.42 0.00 14 N 7.82 4.15 0.00 2.43 1.80 0.00 0.00 6.62 8.54 0.00 0.00 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 S 7.21 3.56 0.00 4.22 4.11 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 0.00 0.00 0.00 16 F 6.40 3.82 0.00 2.33 2.22 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 17 T 6.34 4.68 4.07 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 0.00 0.00 0.68 0.00 0.00 18 N 8.69 4.41 0.00 2.95 3.14 0.00 0.00 7.37 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 19 V 7.82 4.14 2.33 0.00 0.00 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 1.06 0.00 0.00 20 W 8.87 5.31 0.00 3.52 3.41 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 21 K 8.78 4.34 0.00 1.69 1.74 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.35 7.81 22 D 8.51 5.01 0.00 3.30 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 23 D 8.79 4.51 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.75 4.17 0.00 2.04 1.87 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.19 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.51 7.81 25 T 7.76 4.09 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 1.16 0.00 0.00 26 L 8.03 3.49 0.00 1.91 1.87 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.10 4.23 0.00 2.86 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 0.00 0.00 0.00 28 R 6.76 4.23 0.00 1.62 1.39 0.00 3.08 0.00 0.00 2.97 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.66 0.00 29 Y 7.98 5.62 0.00 1.43 2.30 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 30 A 8.85 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.90 4.45 0.00 2.67 2.65 0.00 0.00 6.92 7.45 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 32 Y 8.69 4.09 0.00 3.48 3.13 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 33 E 9.38 3.75 0.00 2.32 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 0.00 2.40 2.44 0.00 34 G 8.89 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 35 C 7.84 4.97 0.00 2.96 3.05 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 36 L 8.53 5.34 0.00 1.76 1.64 1.32 1.52 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 37 W 9.29 5.13 0.00 3.55 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 9.35 5.06 0.00 2.85 2.77 0.00 0.00 7.27 8.22 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 39 A 8.05 4.30 -0.20 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 0.00 0.00 0.00 40 T 8.40 3.83 4.08 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 0.00 0.00 0.00 1.01 0.00 0.00 41 G 5.38 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 0.00 0.00 0.00 0.00 42 V 7.40 3.54 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 0.70 0.00 0.00 0.88 0.00 0.00 43 V 7.56 4.21 1.84 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 0.59 0.00 0.00 0.35 0.00 0.00 44 V 8.52 3.72 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 1.03 0.00 0.00 1.06 0.00 0.00 45 C 8.84 5.68 0.00 2.87 2.98 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 0.00 0.00 0.00 46 T 8.70 4.55 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 1.29 0.00 0.00 47 G 8.71 3.76 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 0.00 0.00 0.00 48 D 8.62 4.35 0.00 2.88 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 49 E 8.18 3.91 0.00 2.18 2.16 0.00 0.00 0.00 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 2.30 0.00 50 T 8.05 4.19 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 1.32 0.00 0.00 51 Q 7.90 4.98 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.25 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 52 C 8.88 5.94 0.00 3.48 3.27 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 53 Y 8.98 5.40 0.00 3.09 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 54 G 5.88 3.49 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 0.00 0.00 0.00 0.00 55 T 7.97 4.62 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 1.15 0.00 0.00 56 W 8.64 5.47 0.00 3.46 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.00 4.08 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 0.86 0.00 0.00 0.96 0.00 0.00 58 P 0.00 4.62 0.00 1.76 1.07 0.00 3.54 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 59 I 8.36 4.56 2.10 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.95 0.99 0.00 0.00 60 G 7.69 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 0.00 0.00 0.00 0.00 61 L 8.80 4.07 0.00 1.63 1.81 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.24 5.25 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 63 I 7.71 5.05 1.76 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.36 0.84 0.00 0.00 64 P 0.00 4.42 0.00 2.14 2.01 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 65 E 8.24 4.09 0.00 2.29 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 2.39 2.31 0.00 66 N 8.93 4.44 0.00 2.82 2.90 0.00 0.00 6.85 8.17 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 67 A 7.96 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.50 3.35 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 69 A 7.80 3.96 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 70 H 7.84 4.55 0.00 3.30 3.13 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00