NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 M 4.3196 8.3044 120.3426 54.9107 33.0002 174.6544 21 K 3.7036 8.5553 128.5353 54.6731 32.5726 174.7151 22 T 4.3407 8.8529 115.5463 61.0860 70.8061 172.6103 23 E 5.0685 6.8591 119.9627 55.0816 34.1786 175.1089 24 W 5.2362 9.3627 119.3325 53.3759 29.6591 174.8214 25 P 4.3695 0.0000 0.0000 65.3256 31.3829 179.0850 26 E 4.1838 8.2746 116.3687 58.1558 29.9788 177.9599 27 L 4.3891 8.1186 119.4719 55.4102 42.3219 176.8852 28 V 3.8746 7.3469 119.4277 64.1440 31.7262 176.3411 29 G 3.9622 9.1755 115.7537 45.3865 0.0000 173.6580 30 K 4.3760 7.8302 119.8062 55.0044 33.5340 176.4904 31 S 4.7673 8.4864 116.7242 57.7565 64.9104 175.5457 32 V 3.6040 8.3907 123.8685 65.0759 30.9270 178.6532 33 E 3.8777 8.0312 118.6019 59.2721 29.3854 178.7484 34 E 3.8863 8.3655 119.1881 59.0227 29.5916 178.4887 35 A 3.8762 8.0112 120.8493 55.1913 18.4341 179.7164 36 K 3.7196 8.0472 116.8717 59.3634 32.2358 179.4779 37 K 3.8580 7.9160 119.8161 59.4643 32.2705 179.0649 38 V 3.5747 7.8520 118.5360 66.0789 31.4596 178.0257 39 I 3.1627 7.6647 119.8429 64.2370 36.7068 178.4975 40 L 4.3077 7.9446 119.4636 57.5025 41.1053 179.6042 41 Q 4.0275 7.7482 117.4661 58.9241 28.7218 177.8085 42 D 4.7999 7.9062 118.5165 55.5472 42.5712 176.9987 43 K 4.6796 8.5009 120.5006 53.7882 32.4876 174.3674 44 P 4.4880 0.0000 0.0000 64.1482 31.8095 177.2530 45 A 4.3581 7.8871 118.2231 51.7848 18.9137 176.8349 46 A 4.2288 7.7566 119.3695 52.9720 19.3395 178.0186 47 Q 4.3289 9.3725 121.7031 54.7540 29.9953 174.6675 48 I 4.7967 8.1243 125.4682 59.6799 38.9270 175.2928 49 I 4.4459 8.2089 126.4926 59.0366 41.0690 173.9102 50 V 4.6276 8.2518 128.5152 61.3189 32.9884 174.6656 51 L 4.8828 8.4685 126.6349 52.1406 46.3412 174.1207 52 P 4.9588 0.0000 0.0000 62.2748 31.9810 176.9743 53 V 3.7843 8.8039 124.2206 62.5952 32.1885 176.1137 54 G 3.8078 8.7406 109.7147 46.6080 0.0000 173.2684 55 T 4.5863 7.7542 108.4385 59.5846 71.2829 173.1860 56 I 4.4551 7.9937 122.0713 59.8509 38.8678 175.7347 57 V 4.6586 7.9091 116.0992 59.1826 35.6573 175.4935 58 T 4.0738 8.4458 111.3143 62.6544 68.9215 174.0262 59 M 4.6821 8.3600 122.2558 55.1377 32.7920 176.2249 60 E 4.3772 8.1202 115.6894 55.7304 31.1847 174.7363 61 Y 4.7402 8.4630 120.8356 55.9191 40.4015 175.1705 62 R 4.3933 8.2482 126.9509 54.0512 31.9211 176.4879 63 I 3.4984 8.2330 124.2972 63.2088 38.3751 176.2610 64 D 4.5415 7.9375 118.3546 54.0477 40.2365 175.4181 65 R 4.8842 7.6924 121.6654 55.0164 32.6277 175.2818 66 V 4.7190 8.4101 124.3896 61.2057 34.3326 174.5524 67 R 4.5167 8.6777 127.3590 55.6658 31.3160 176.0310 68 L 4.5888 8.6938 123.2287 52.9741 44.5308 175.3925 69 F 5.0533 8.8043 123.1322 56.2846 40.6541 175.2726 70 V 5.0199 8.6225 117.9717 59.5211 34.7875 176.3369 71 D 4.7870 8.7082 123.7703 52.3399 40.9541 176.9833 72 R 4.1465 8.4122 114.1367 57.9881 29.5928 176.9134 73 L 4.3147 7.9883 117.8834 54.5327 42.2438 176.3129 74 D 4.5332 8.0719 118.3119 55.3869 38.3992 173.2477 75 N 5.3046 7.9845 115.1900 51.3601 40.9823 174.5458 76 I 4.1469 8.7150 122.3792 61.4998 37.5831 176.7586 77 A 4.7634 8.9130 126.7496 51.8994 20.2606 175.7436 78 Q 4.5439 7.7001 115.1416 53.7253 32.2488 174.0811 79 V 3.8222 8.3853 123.5657 62.6171 32.0656 173.9742 80 P 4.8081 0.0000 0.0000 62.8790 32.4236 175.5626 81 R 5.4417 8.5020 118.5161 54.5584 32.7636 174.7801 82 V 3.9809 8.7263 120.9431 62.8903 32.5964 176.3580 83 G 2.9564 8.4683 114.8419 45.0853 0.0000 173.0457 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 4.32 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 21 K 8.56 3.70 0.00 1.67 1.46 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.40 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.31 1.01 7.81 22 T 8.85 4.34 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 1.24 0.00 0.00 23 E 6.86 5.07 0.00 1.78 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 0.00 2.21 2.23 0.00 24 W 9.36 5.24 0.00 3.36 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 25 P 0.00 4.37 0.00 2.25 2.35 0.00 3.76 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 2.09 1.96 0.00 26 E 8.27 4.18 0.00 2.19 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 2.48 2.36 0.00 27 L 8.12 4.39 0.00 1.98 1.76 0.76 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.35 3.87 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 0.82 0.00 0.00 1.06 0.00 0.00 29 G 9.18 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 30 K 7.83 4.38 0.00 1.91 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.53 7.81 31 S 8.49 4.77 0.00 4.24 3.98 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 32 V 8.39 3.60 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 0.81 0.00 0.00 0.87 0.00 0.00 33 E 8.03 3.88 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 8.37 3.89 0.00 2.02 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 8.01 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 8.05 3.72 0.00 1.88 1.78 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.54 7.81 37 K 7.92 3.86 0.00 1.80 1.91 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 38 V 7.85 3.57 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 7.66 3.16 1.52 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 -0.30 -0.36 0.39 0.00 0.00 40 L 7.94 4.31 0.00 1.70 1.68 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.75 4.03 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 42 D 7.91 4.80 0.00 3.25 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 43 K 8.50 4.68 0.00 1.93 1.85 0.00 1.90 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.38 1.49 7.81 44 P 0.00 4.49 0.00 2.09 2.11 0.00 3.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 45 A 7.89 4.36 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 7.76 4.23 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 47 Q 9.37 4.33 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.55 0.00 48 I 8.12 4.80 1.77 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.42 0.78 0.00 0.00 49 I 8.21 4.45 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.01 0.78 0.00 0.00 50 V 8.25 4.63 1.99 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 0.78 0.00 0.00 0.83 0.00 0.00 51 L 8.47 4.88 0.00 1.12 1.47 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.96 0.00 1.99 2.01 0.00 3.74 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 2.06 2.10 0.00 53 V 8.80 3.78 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.94 0.00 0.00 54 G 8.74 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.59 4.31 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 1.31 0.00 0.00 56 I 7.99 4.46 1.89 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 1.41 0.62 0.92 0.00 0.00 57 V 7.91 4.66 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 1.02 0.00 0.00 1.05 0.00 0.00 58 T 8.45 4.07 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 1.24 0.00 0.00 59 M 8.36 4.68 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 60 E 8.12 4.38 0.00 2.12 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 0.00 2.28 2.26 0.00 61 Y 8.46 4.74 0.00 2.88 2.93 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 0.00 0.00 0.00 0.00 62 R 8.25 4.39 0.00 1.72 1.92 0.00 3.15 0.00 0.00 3.06 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 63 I 8.23 3.50 1.88 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 1.49 0.76 0.90 0.00 0.00 64 D 7.94 4.54 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 7.69 4.88 0.00 1.87 1.87 0.00 2.99 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 66 V 8.41 4.72 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 0.81 0.00 0.00 0.93 0.00 0.00 67 R 8.68 4.52 0.00 1.76 1.26 0.00 3.43 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 68 L 8.69 4.59 0.00 1.35 1.45 0.78 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.80 5.05 0.00 3.03 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 70 V 8.62 5.02 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 0.70 0.00 0.00 1.02 0.00 0.00 71 D 8.71 4.79 0.00 2.91 2.86 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 0.00 0.00 0.00 72 R 8.41 4.15 0.00 1.95 2.11 0.00 3.03 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 73 L 7.99 4.31 0.00 1.82 1.74 0.93 1.12 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 74 D 8.07 4.53 0.00 2.98 2.79 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 0.00 0.00 0.00 75 N 7.98 5.30 0.00 3.04 2.79 0.00 0.00 7.03 7.32 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 76 I 8.71 4.15 2.08 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.78 0.98 0.00 0.00 77 A 8.91 4.76 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 78 Q 7.70 4.54 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 79 V 8.39 3.82 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 0.96 0.00 0.00 0.98 0.00 0.00 80 P 0.00 4.81 0.00 2.30 1.95 0.00 4.02 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 81 R 8.50 5.44 0.00 1.99 1.98 0.00 3.19 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 82 V 8.73 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 0.75 0.00 0.00 1.18 0.00 0.00 83 G 8.47 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 0.00 0.00 0.00