NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4559 8.3049 120.3480 55.8479 32.5867 175.9401 2 Q 4.4523 7.8445 128.9403 53.0388 30.0863 174.1398 3 K 4.8352 8.3824 110.8029 57.1007 36.5202 176.0012 4 D 5.2869 8.2370 120.2876 54.0772 42.0391 176.4531 5 L 4.6244 8.2428 119.7237 56.6154 41.9933 177.2961 6 H 4.6216 8.0859 122.1331 55.3411 27.0892 174.2468 7 P 4.5468 0.0000 0.0000 62.3549 29.5167 176.8085 8 K 4.0665 8.0736 115.6282 57.0256 31.6020 176.2567 9 A 4.8451 7.8859 123.3508 51.6444 20.6439 177.8176 10 V 4.2511 7.8843 115.0111 63.1288 34.3642 171.4200 11 P 4.7744 0.0000 0.0000 63.4899 32.5835 175.8043 12 C 3.7114 8.3747 115.0552 59.6282 26.3369 173.2469 13 K 3.8875 9.0946 118.7090 56.0692 30.6050 174.3506 14 I 3.4732 7.8489 115.3967 62.5276 34.8915 172.2203 15 I 3.9447 7.1866 127.0129 59.4569 36.0212 175.1700 16 Y 4.0938 7.7513 120.1800 57.7670 39.0552 173.7889 17 Q 4.7963 8.3072 123.8601 55.7885 30.7081 173.7015 18 G 4.0585 8.0837 113.1912 44.7162 0.0000 171.5470 19 Q 4.2794 7.8813 118.4668 55.2458 31.6396 177.0303 20 V 4.4185 7.9996 114.9755 61.4925 32.8262 176.4896 21 V 3.9404 7.4985 123.0918 64.4868 31.4640 177.3674 22 M 3.2818 9.1135 107.8237 55.7573 28.5261 175.3487 23 E 5.3351 7.1066 127.4118 56.5539 31.0643 180.6617 24 T 3.5964 8.0102 114.6542 65.8615 70.6585 176.2255 25 M 4.3243 7.5887 121.3140 54.5555 31.2992 176.9428 26 S 4.4153 7.9816 111.2228 59.3311 64.2589 170.0630 27 T 3.0392 7.9624 108.9042 62.8640 69.9755 170.6120 28 R 5.0286 7.8241 119.6547 54.3306 33.6087 173.7814 29 P 4.9094 0.0000 0.0000 61.9847 33.9598 173.4419 30 E 4.8147 8.3348 116.5401 55.6244 33.0115 173.3025 31 I 4.7871 7.9742 119.1965 60.3956 41.8268 175.8331 32 H 4.2483 9.3789 127.4609 57.0825 32.4335 177.5719 33 V 3.2969 6.0169 123.9279 57.8285 34.9623 174.0554 34 D 4.8521 7.9860 118.8347 54.0326 41.3078 174.7171 35 V 4.8444 7.7326 118.5624 61.5456 34.8355 174.5676 36 W 5.6098 8.7138 119.8610 55.9393 32.9443 175.0784 37 S 4.5344 9.2706 117.8012 57.7398 65.2362 171.9627 38 G 4.1621 8.8753 109.5457 46.3094 0.0000 172.2996 39 V 5.0131 7.4570 131.7343 63.6876 34.0209 170.1474 40 H 4.7589 8.0287 127.5171 55.1071 33.0031 170.7070 41 P 5.0758 0.0000 0.0000 63.5517 31.0767 176.4975 42 F 4.3679 9.5540 120.1619 57.2866 43.1296 170.8865 43 W 6.0597 5.8052 117.6666 53.6693 30.6354 174.3326 44 T 4.6342 8.5547 111.9024 59.8537 72.1173 172.3865 45 G 4.2216 8.4998 108.3617 44.0319 0.0000 171.1342 46 E 4.8812 10.7248 124.4873 54.7333 30.5695 178.1813 47 E 5.7378 8.1623 130.3743 57.2045 31.1635 175.3544 48 R 3.8369 7.9638 121.2867 55.8680 33.2809 176.5284 49 F 3.5900 8.0670 113.9326 58.5635 34.6509 176.3616 50 L 3.1607 9.3954 120.7462 56.5885 38.5751 175.6289 51 D 3.9477 8.1298 120.2395 53.9308 40.5211 174.1911 52 T 4.6548 8.5638 123.4040 61.6240 68.1425 172.9785 53 E 4.6974 7.4359 124.2205 56.2151 28.9692 174.2641 54 G 4.5590 7.0538 103.6484 45.7155 0.0000 174.7950 55 R 4.9145 9.1448 128.1720 54.1472 31.1241 175.0739 56 V 3.3764 6.1360 114.9681 63.2148 34.5521 173.4200 57 D 5.8500 7.9172 124.2779 51.6752 44.2865 176.4340 58 K 4.4243 8.8397 115.3583 57.5044 32.3099 176.5249 59 F 3.8911 8.3368 110.5576 58.0411 41.5314 178.5450 60 N 3.5847 8.6415 116.8227 57.0576 39.9184 176.3491 61 K 3.9383 10.7800 120.8796 59.5663 32.3513 179.4749 62 R 4.3059 8.1309 116.0237 58.5831 31.4671 178.1393 63 F 4.9688 9.0526 123.0745 57.5567 37.6447 179.6650 64 G 4.0047 8.7471 117.7044 49.3356 0.0000 175.3148 65 D 4.3728 7.5679 117.7910 56.3294 39.0994 178.7273 66 S 4.0996 9.2094 117.0941 61.6300 64.6990 176.0759 67 Y 4.6649 7.7722 120.4028 56.8389 36.0089 178.3011 68 R 4.9097 8.4721 135.0000 57.2333 31.7454 173.7026 69 R 4.6104 8.2057 122.0821 55.9571 30.9229 176.7867 70 G 4.3435 7.1486 103.5497 45.7051 0.0000 173.7622 71 S 4.6567 7.4751 114.6155 58.2520 66.9175 176.5909 72 K 4.5991 8.3359 131.3226 56.3135 30.7833 176.7628 73 K 4.1044 8.4355 127.6277 57.6093 32.4778 175.6842 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 8.30 4.46 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 Q 7.84 4.45 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.30 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 3 K 8.38 4.84 0.00 1.77 1.89 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.49 7.81 4 D 8.24 5.29 0.00 2.62 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.24 4.62 0.00 2.04 1.88 0.67 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.09 4.62 0.00 3.27 3.70 0.00 5.89 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.55 0.00 2.20 2.16 0.00 4.07 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 2.06 2.05 0.00 8 K 8.07 4.07 0.00 1.82 2.14 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.20 7.81 9 A 7.89 4.85 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 10 V 7.88 4.25 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 0.65 0.00 0.00 0.79 0.00 0.00 11 P 0.00 4.77 0.00 2.32 2.21 0.00 3.85 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 2.00 2.49 0.00 12 C 8.37 3.71 0.00 3.15 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 9.09 3.89 0.00 1.93 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.49 7.81 14 I 7.85 3.47 2.41 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.22 1.54 0.00 0.00 15 I 7.19 3.94 1.54 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.28 0.07 0.00 0.00 16 Y 7.75 4.09 0.00 2.82 2.92 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 0.00 0.00 0.00 17 Q 8.31 4.80 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.81 0.00 0.00 0.00 0.00 0.00 2.25 1.96 0.00 18 G 8.08 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.88 4.28 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.13 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 20 V 8.00 4.42 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 0.76 0.00 0.00 0.86 0.00 0.00 21 V 7.50 3.94 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 0.84 0.00 0.00 0.92 0.00 0.00 22 M 9.11 3.28 0.00 2.17 2.32 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 2.45 2.46 0.00 23 E 7.11 5.34 0.00 1.96 1.38 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 2.27 2.21 0.00 24 T 8.01 3.60 4.24 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 1.20 0.00 0.00 25 M 7.59 4.32 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 26 S 7.98 4.42 0.00 4.05 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 0.00 27 T 7.96 3.04 4.24 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 1.21 0.00 0.00 28 R 7.82 5.03 0.00 1.71 1.85 0.00 3.15 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 29 P 0.00 4.91 0.00 1.93 2.25 0.00 3.73 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 1.79 2.29 0.00 30 E 8.33 4.81 0.00 1.98 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 2.19 2.33 0.00 31 I 7.97 4.79 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.94 0.92 0.00 0.00 32 H 9.38 4.25 0.00 3.30 2.59 0.00 5.92 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 6.02 3.30 2.03 0.00 0.00 0.00 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 1.03 0.00 0.00 34 D 7.99 4.85 0.00 2.62 2.71 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 35 V 7.73 4.84 2.14 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 0.94 0.00 0.00 1.00 0.00 0.00 36 W 8.71 5.61 0.00 3.12 3.16 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 0.00 0.00 0.00 37 S 9.27 4.53 0.00 3.83 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.88 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.46 5.01 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 0.71 0.00 0.00 1.07 0.00 0.00 40 H 8.03 4.76 0.00 3.11 3.17 0.00 5.89 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 5.08 0.00 2.39 1.99 0.00 3.86 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 2.09 0.00 42 F 9.55 4.37 0.00 2.88 2.84 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 43 W 5.81 6.06 0.00 2.99 3.04 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 44 T 8.55 4.63 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 1.28 0.00 0.00 45 G 8.50 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 0.00 0.00 0.00 0.00 46 E 10.72 4.88 0.00 1.94 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 2.17 2.27 0.00 47 E 8.16 5.74 0.00 2.00 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 2.04 1.97 0.00 48 R 7.96 3.84 0.00 1.13 1.28 0.00 2.92 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 49 F 8.07 3.59 0.00 3.19 3.22 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 50 L 9.40 3.16 0.00 1.76 1.80 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.13 3.95 0.00 2.84 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 52 T 8.56 4.65 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 1.31 0.00 0.00 53 E 7.44 4.70 0.00 2.16 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 2.22 2.20 0.00 54 G 7.05 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.14 4.91 0.00 2.07 1.55 0.00 2.95 0.00 0.00 2.90 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.23 0.00 56 V 6.14 3.38 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 1.28 0.00 0.00 -0.58 0.00 0.00 57 D 7.92 5.85 0.00 2.77 2.71 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 58 K 8.84 4.42 0.00 1.62 0.74 0.00 0.83 0.00 0.00 1.46 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.98 1.31 7.81 59 F 8.34 3.89 0.00 3.24 3.19 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 0.00 0.00 0.00 0.00 60 N 8.64 3.58 0.00 2.96 3.29 0.00 0.00 6.86 8.19 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 61 K 10.78 3.94 0.00 1.73 1.81 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.78 0.21 7.81 62 R 8.13 4.31 0.00 1.96 2.09 0.00 3.33 0.00 0.00 3.14 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 63 F 9.05 4.97 0.00 3.33 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 0.00 0.00 0.00 0.00 64 G 8.75 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.57 4.37 0.00 2.86 2.89 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 0.00 0.00 0.00 66 S 9.21 4.10 0.00 3.77 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.77 4.66 0.00 3.00 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 0.00 0.00 0.00 0.00 68 R 8.47 4.91 0.00 1.94 2.20 0.00 3.37 0.00 0.00 2.32 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.64 0.00 69 R 8.21 4.61 0.00 1.82 1.96 0.00 3.29 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 70 G 7.15 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.48 4.66 0.00 3.35 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 72 K 8.34 4.60 0.00 1.73 1.45 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.44 7.81 73 K 8.44 4.10 0.00 1.60 1.58 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.44 7.81