NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5178 0.0000 0.0000 62.4258 33.8790 174.5328 2 F 5.3646 8.6832 122.5334 56.4496 41.7646 172.2683 3 I 4.2002 9.2114 128.7737 59.5308 39.5114 173.8273 4 E 4.7275 8.2711 128.2053 54.3681 31.6465 174.4819 5 C 4.7018 9.1746 125.0392 58.3132 30.9333 172.5858 6 H 5.4494 8.8553 121.9601 54.4000 29.5334 174.3225 7 I 4.7731 8.5973 116.4820 58.4176 41.2777 174.7587 8 A 4.7509 8.5003 124.4638 51.7651 18.9337 177.7411 9 T 4.1004 8.6793 111.8835 62.1802 69.1040 173.2121 10 G 3.4192 8.6928 114.6973 45.5545 0.0000 174.2815 11 L 4.3048 7.4595 120.8118 53.8543 42.7595 177.3753 12 S 4.3965 8.3265 116.6474 58.0419 65.0149 175.7672 13 V 3.5963 8.2940 122.6068 65.0848 31.0859 178.2741 14 A 3.9500 7.9544 120.9675 54.8037 18.2341 179.4626 15 R 3.8735 7.8841 117.1622 59.4247 30.1919 178.8911 16 K 3.9933 8.1991 118.4215 59.3256 32.0365 179.0856 17 Q 3.9409 8.3430 120.1464 59.2870 28.9314 178.1342 18 Q 3.9649 8.0946 120.5607 59.0701 28.9578 178.0160 19 L 3.9509 7.9997 121.3463 58.2857 42.1322 179.1078 20 I 3.7147 7.9470 119.7930 64.2036 37.0168 178.3398 21 R 3.8864 8.1023 119.5824 59.6293 29.8547 178.3619 22 D 4.3505 8.4764 119.0518 57.2326 40.7915 178.8169 23 V 3.5670 8.1109 119.1176 66.0578 31.4688 178.1039 24 I 3.6531 7.7448 119.3468 64.3901 36.9503 177.7445 25 D 4.3016 8.0366 118.7197 57.5572 41.1891 178.3859 26 V 3.5789 7.9726 118.7188 66.4228 31.4848 178.1852 27 T 3.8772 7.9067 115.3250 66.5674 68.2003 176.2538 28 N 4.5294 8.2052 120.3759 56.2324 38.7572 177.0957 29 K 4.0268 8.1239 119.0616 58.9912 32.1732 178.8990 30 S 4.4805 7.8869 113.3575 59.6185 63.7818 174.9656 31 I 4.2505 7.6748 112.1681 59.7016 38.3889 176.3163 32 G 3.9185 8.0453 109.4881 45.5963 0.0000 173.9586 33 S 4.1773 7.7455 116.5914 57.9255 63.5964 173.2734 34 D 4.4898 8.7200 125.0769 53.4998 41.7717 175.0150 35 P 4.5136 0.0000 0.0000 65.8675 31.1124 178.4255 36 K 4.0424 8.6957 118.1770 58.4477 31.9706 177.5777 37 I 4.2747 7.9950 110.5159 60.4084 37.8802 175.0206 38 I 4.3285 7.4245 122.9218 60.6979 37.8987 174.9359 39 N 5.1608 9.1839 124.6430 51.3365 41.8891 173.7625 40 V 5.0034 8.5475 122.1543 60.9982 34.8828 174.1223 41 L 4.7839 9.2293 129.6004 53.2529 44.8457 174.4669 42 L 4.9791 8.6576 128.7013 53.4803 43.6585 175.3049 43 V 4.3963 8.9120 126.9595 61.1502 33.9773 173.9482 44 E 5.1612 8.7071 126.9350 55.2417 31.5487 175.0159 45 H 5.1020 8.9838 119.0392 53.4973 33.5832 173.1477 46 A 4.3495 8.5693 123.7356 52.1294 19.0633 178.7775 47 E 3.8791 8.8138 120.7420 59.3262 29.7365 179.5773 48 A 4.0748 7.8891 120.4377 54.8831 18.5328 177.6457 49 N 4.7119 7.9259 111.1311 53.9024 38.9582 174.9029 50 M 4.8559 7.6928 117.7361 53.2375 35.5047 175.0815 51 S 4.7856 8.3598 114.6304 55.3882 66.0719 173.2634 52 I 4.3985 8.1881 125.0309 60.5691 39.4605 175.7139 53 S 3.9921 9.4243 119.8215 59.8430 60.0486 173.5212 54 G 3.9219 8.2822 105.1961 45.9985 0.0000 174.4118 55 R 4.0812 7.6209 119.8474 55.8392 30.6496 175.6481 56 I 4.3679 8.1605 123.8456 60.1102 38.1892 175.3521 57 H 4.2657 9.0683 123.9801 56.8233 29.4885 174.4009 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 P 0.00 4.52 0.00 2.13 2.08 0.00 3.59 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 2.03 2.11 0.00 2 F 8.68 5.36 0.00 2.88 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 3 I 9.21 4.20 1.84 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 1.09 0.46 0.83 0.00 0.00 4 E 8.27 4.73 0.00 1.16 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.12 0.00 5 C 9.17 4.70 0.00 2.78 2.76 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 6 H 8.86 5.45 0.00 3.04 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.60 4.77 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 1.16 0.75 0.91 0.00 0.00 8 A 8.50 4.75 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 9 T 8.68 4.10 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 1.19 0.00 0.00 10 G 8.69 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.46 4.30 0.00 1.65 1.60 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.33 4.40 0.00 4.04 3.99 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 0.00 0.00 0.00 0.00 13 V 8.29 3.60 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 0.82 0.00 0.00 0.93 0.00 0.00 14 A 7.95 3.95 1.34 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 15 R 7.88 3.87 0.00 1.97 2.07 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 16 K 8.20 3.99 0.00 1.85 1.84 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.62 7.81 17 Q 8.34 3.94 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 18 Q 8.09 3.96 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 19 L 8.00 3.95 0.00 1.87 1.86 0.92 0.88 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 20 I 7.95 3.71 2.00 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 1.42 0.63 0.92 0.00 0.00 21 R 8.10 3.89 0.00 2.07 2.03 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 22 D 8.48 4.35 0.00 2.87 2.70 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 23 V 8.11 3.57 2.20 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 1.03 0.00 0.00 0.96 0.00 0.00 24 I 7.74 3.65 2.01 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 1.42 0.51 0.92 0.00 0.00 25 D 8.04 4.30 0.00 2.73 2.80 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 26 V 7.97 3.58 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 0.97 0.00 0.00 0.98 0.00 0.00 27 T 7.91 3.88 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 1.22 0.00 0.00 28 N 8.21 4.53 0.00 2.76 2.96 0.00 0.00 6.77 5.63 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 29 K 8.12 4.03 0.00 1.89 1.86 0.00 1.68 0.00 0.00 1.95 0.00 0.00 3.17 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.49 7.81 30 S 7.89 4.48 0.00 4.06 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 31 I 7.67 4.25 1.87 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 1.49 0.74 0.91 0.00 0.00 32 G 8.05 3.92 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 0.00 0.00 0.00 33 S 7.75 4.18 0.00 3.91 3.82 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 0.00 0.00 0.00 34 D 8.72 4.49 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.51 0.00 2.25 2.33 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 36 K 8.70 4.04 0.00 1.85 1.92 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.47 7.81 37 I 7.99 4.27 1.88 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 1.35 0.72 0.91 0.00 0.00 38 I 7.42 4.33 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 1.25 0.77 0.94 0.00 0.00 39 N 9.18 5.16 0.00 2.78 2.66 0.00 0.00 5.95 7.29 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 40 V 8.55 5.00 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 0.84 0.00 0.00 0.97 0.00 0.00 41 L 9.23 4.78 0.00 2.16 1.59 1.06 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.66 4.98 0.00 1.66 1.54 0.96 0.92 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 43 V 8.91 4.40 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 0.88 0.00 0.00 0.92 0.00 0.00 44 E 8.71 5.16 0.00 1.84 1.81 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 2.21 2.29 0.00 45 H 8.98 5.10 0.00 3.01 3.12 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.57 4.35 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 E 8.81 3.88 0.00 1.50 1.53 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 2.31 2.13 0.00 48 A 7.89 4.07 1.30 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 0.00 0.00 49 N 7.93 4.71 0.00 2.90 2.84 0.00 0.00 6.78 7.41 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 50 M 7.69 4.86 0.00 1.89 1.89 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 2.48 2.34 0.00 51 S 8.36 4.79 0.00 4.09 3.79 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 52 I 8.19 4.40 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.92 0.91 0.00 0.00 53 S 9.42 3.99 0.00 4.00 3.92 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 54 G 8.28 3.92 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 0.00 0.00 0.00 55 R 7.62 4.08 0.00 2.12 1.87 0.00 3.12 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 56 I 8.16 4.37 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 1.30 0.77 0.91 0.00 0.00 57 H 9.07 4.27 0.00 3.23 3.23 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