NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4794 0.0000 0.0000 62.3410 33.6063 174.9099 2 I 4.8344 8.3152 123.2052 59.1027 39.9644 173.0183 3 A 4.7900 9.4021 130.0584 49.9898 22.2163 174.4731 4 Q 4.9226 8.6608 122.4228 54.3644 31.5660 174.3832 5 I 4.4878 8.7926 127.8310 59.8309 40.0366 174.3016 6 H 5.2795 8.8058 124.0888 54.2158 29.9698 174.0994 7 I 4.6323 8.2272 116.5424 58.5524 41.2345 174.9513 8 L 4.6608 8.3283 123.1608 54.3475 42.2210 176.9740 9 E 4.4955 8.1231 120.8748 56.6339 29.9341 176.0336 10 G 3.5610 8.7483 109.1939 45.5554 0.0000 174.5081 11 R 4.4481 7.6190 119.5156 55.2360 31.5898 176.8173 12 S 4.5144 8.2694 116.2478 57.8341 65.5056 175.2255 13 D 4.3954 8.5176 121.6676 57.3563 40.4768 179.0053 14 E 3.9236 8.0750 118.7121 59.5630 29.5344 179.0528 15 Q 4.0157 7.7871 118.0036 59.1427 28.8166 179.3520 16 K 3.9777 7.9675 118.8376 59.2205 31.9039 179.1135 17 E 3.9879 8.1440 119.9105 59.3592 29.5015 179.0397 18 T 3.9150 8.0407 116.0397 66.1872 68.5231 176.4667 19 L 3.9073 8.0952 122.4736 58.4562 42.0040 179.1128 20 I 3.6786 7.7680 119.5457 64.2831 36.9841 178.4881 21 R 3.9138 7.6879 119.5665 59.2892 30.0359 178.2462 22 E 3.9534 8.5335 118.8169 59.5700 29.5156 179.6485 23 V 3.6201 7.9615 118.2073 66.0638 31.5640 178.2497 24 S 4.1640 7.9048 115.0613 61.4536 62.5166 176.6361 25 E 3.9026 8.3231 121.1270 59.2987 29.2018 178.9413 26 A 3.9601 7.9365 120.8156 55.3553 18.4129 179.8118 27 I 3.6210 7.8259 118.0067 64.6183 37.3608 178.6044 28 S 4.1580 7.9904 113.9741 61.3026 62.0296 176.1246 29 R 3.8435 8.7593 121.8923 59.6670 29.7168 178.5000 30 S 4.1005 8.0590 113.7651 61.3139 62.9085 175.5812 31 L 4.3890 7.7792 116.4505 53.6610 42.0492 175.6023 32 D 4.3366 7.5249 117.1380 55.3610 40.0207 172.8540 33 A 4.7995 7.5091 118.8467 48.9357 21.6744 175.6116 34 P 4.2970 0.0000 0.0000 62.5871 32.1101 176.9205 35 L 3.8948 8.9275 124.9506 58.5064 41.9110 178.8166 36 T 4.0658 7.8748 106.3233 63.4177 68.7279 174.6856 37 S 4.4300 8.0149 116.4506 58.9905 63.8695 174.4724 38 V 4.0751 7.5989 122.4617 62.8186 32.1622 175.3816 39 R 4.7066 8.9483 126.2093 54.3277 33.3657 174.5666 40 V 4.8981 8.4937 122.9894 61.0545 34.5347 174.4307 41 I 4.5596 8.8890 128.1212 59.5887 40.1456 174.3292 42 I 4.7712 8.3849 127.5369 60.0188 39.2780 175.3406 43 T 4.4967 8.7129 122.7357 61.7832 71.9116 173.0457 44 E 4.7808 8.7614 126.4662 56.0326 31.4472 175.5073 45 M 4.9204 8.8147 122.8261 53.2047 35.1882 175.6877 46 A 4.5020 8.5529 125.3500 51.7064 19.3407 178.7307 47 K 3.9498 8.5911 120.5705 59.1517 32.2546 178.3862 48 G 4.0813 7.9886 105.5549 45.6370 0.0000 173.4721 49 H 4.9758 8.5589 114.5432 54.8798 29.8623 173.3944 50 F 5.0636 8.2352 122.5152 56.2691 41.5426 173.6373 51 G 4.1856 8.3700 116.3285 43.5170 0.0000 172.2103 52 I 4.0994 8.1765 122.8171 59.9630 39.6011 176.0641 53 G 3.9328 9.5169 113.9370 46.5516 0.0000 174.0066 54 G 3.9294 8.7439 105.7036 44.9198 0.0000 173.8224 55 E 4.6852 7.6520 117.9238 53.6331 33.3217 175.2765 56 L 4.3339 8.4534 121.4783 55.0803 41.8997 178.5392 57 A 4.0258 8.9295 126.1328 55.0178 18.7696 180.2364 58 S 4.1487 8.1560 110.0397 61.4750 63.1292 175.3785 59 K 4.3715 7.7029 117.8078 56.0672 32.0781 177.2686 60 V 4.0255 7.3841 123.8398 61.8479 31.4679 175.1370 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 4.48 0.00 2.09 2.03 0.00 3.62 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 2.00 2.12 0.00 2 I 8.32 4.83 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 1.27 0.72 0.90 0.00 0.00 3 A 9.40 4.79 1.19 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 0.00 0.00 4 Q 8.66 4.92 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.64 0.00 0.00 0.00 0.00 0.00 2.09 2.24 0.00 5 I 8.79 4.49 1.83 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 1.21 0.62 0.88 0.00 0.00 6 H 8.81 5.28 0.00 2.90 3.09 0.00 5.84 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 7 I 8.23 4.63 1.82 0.00 0.00 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 1.18 1.22 0.86 0.00 0.00 8 L 8.33 4.66 0.00 1.53 1.63 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.12 4.50 0.00 1.96 2.06 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 2.31 2.11 0.00 10 G 8.75 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 0.00 0.00 0.00 11 R 7.62 4.45 0.00 1.78 1.85 0.00 3.25 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 12 S 8.27 4.51 0.00 3.99 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 D 8.52 4.40 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 14 E 8.07 3.92 0.00 2.05 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 0.00 2.40 2.46 0.00 15 Q 7.79 4.02 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 16 K 7.97 3.98 0.00 1.81 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.67 7.81 17 E 8.14 3.99 0.00 2.26 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 0.00 2.30 2.34 0.00 18 T 8.04 3.92 4.40 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 0.00 0.00 1.21 0.00 0.00 19 L 8.10 3.91 0.00 1.82 1.84 0.91 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.77 3.68 2.00 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 1.39 1.04 0.90 0.00 0.00 21 R 7.69 3.91 0.00 1.94 1.90 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.53 3.95 0.00 2.00 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 2.48 2.46 0.00 23 V 7.96 3.62 2.24 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 1.02 0.00 0.00 0.92 0.00 0.00 24 S 7.90 4.16 0.00 4.08 3.89 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 25 E 8.32 3.90 0.00 2.10 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 0.00 2.48 2.47 0.00 26 A 7.94 3.96 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 27 I 7.83 3.62 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 1.40 0.91 0.91 0.00 0.00 28 S 7.99 4.16 0.00 3.91 4.09 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 0.00 0.00 0.00 0.00 29 R 8.76 3.84 0.00 2.12 1.90 0.00 3.16 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 30 S 8.06 4.10 0.00 3.94 3.93 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 31 L 7.78 4.39 0.00 1.65 1.69 0.92 1.08 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 32 D 7.52 4.34 0.00 2.72 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 33 A 7.51 4.80 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 34 P 0.00 4.30 0.00 2.23 2.21 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 35 L 8.93 3.89 0.00 1.74 1.73 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.87 4.07 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 37 S 8.01 4.43 0.00 3.97 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 38 V 7.60 4.08 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 0.75 0.00 0.00 0.97 0.00 0.00 39 R 8.95 4.71 0.00 1.80 1.76 0.00 3.16 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 40 V 8.49 4.90 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.89 4.56 1.84 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 1.21 0.64 0.87 0.00 0.00 42 I 8.38 4.77 1.84 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 1.31 0.52 0.87 0.00 0.00 43 T 8.71 4.50 3.94 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 1.21 0.00 0.00 44 E 8.76 4.78 0.00 1.91 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 0.00 2.35 2.31 0.00 45 M 8.81 4.92 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.44 0.00 46 A 8.55 4.50 1.10 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 0.00 0.00 47 K 8.59 3.95 0.00 1.81 1.94 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.46 7.81 48 G 7.99 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 0.00 0.00 0.00 0.00 49 H 8.56 4.98 0.00 3.32 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.24 5.06 0.00 2.97 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 51 G 8.37 4.19 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 0.00 0.00 0.00 52 I 8.18 4.10 1.68 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 0.90 0.30 0.83 0.00 0.00 53 G 9.52 3.93 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 0.00 0.00 0.00 54 G 8.74 3.93 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 0.00 0.00 0.00 55 E 7.65 4.69 0.00 1.94 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 56 L 8.45 4.33 0.00 1.69 1.61 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.93 4.03 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.16 4.15 0.00 4.01 4.20 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 59 K 7.70 4.37 0.00 1.70 1.87 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.36 7.81 60 V 7.38 4.03 2.06 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 0.65 0.00 0.00 0.91 0.00 0.00