NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4356 8.3049 120.3440 55.6978 33.4509 174.1830 2 L 4.4200 7.7235 119.1872 52.3690 45.6936 173.8994 3 C 4.1982 9.2863 125.6149 59.3219 32.7765 174.0414 4 A 4.0107 7.7786 129.5739 53.9298 18.3054 178.4539 5 I 4.1451 7.8456 116.3834 63.4410 37.8993 177.2884 6 S 4.2759 8.0915 112.9127 58.6483 63.6142 175.3507 7 G 3.8655 8.3813 107.6672 45.3784 0.0000 173.2193 8 K 4.4267 7.7036 119.2041 54.2242 33.7733 176.2164 9 V 3.8780 8.1144 121.3337 62.0349 31.7651 174.2278 10 P 4.6240 0.0000 0.0000 62.8382 31.8883 176.8005 11 R 4.1621 9.1258 121.1779 58.6850 30.7652 177.1218 12 R 4.7656 8.6034 117.2400 53.0291 31.0369 172.2016 13 P 4.8806 0.0000 0.0000 62.9423 32.8949 176.5191 14 V 4.9891 9.0712 115.7844 59.4863 36.5148 173.9240 15 L 5.1926 8.8519 124.6069 53.4201 44.7935 175.1482 16 S 4.9219 8.8403 121.3043 56.9016 63.1679 173.2490 17 P 4.4416 0.0000 0.0000 64.9289 31.5003 177.7051 18 K 4.1777 7.8085 118.9553 59.1283 32.2906 178.3870 19 S 4.3305 8.2126 111.2028 58.6923 63.6280 173.9988 20 R 3.9666 7.7803 119.2078 57.8285 28.4412 175.7803 21 T 4.6764 7.6936 111.3317 61.6572 72.7584 173.6630 22 I 4.6211 7.8650 124.6782 61.0527 38.7987 174.9583 23 F 5.1426 9.1033 123.8336 55.2725 44.1732 173.7789 24 E 4.3116 8.7991 121.2114 55.8158 30.4116 177.0050 25 K 3.9115 8.7876 127.8295 60.0337 32.2431 179.2686 26 S 4.1809 8.0444 113.5514 61.0898 63.0120 176.2558 27 L 4.0001 7.8544 122.5183 57.5603 41.4758 178.8399 28 L 3.7522 8.0331 120.2831 58.1589 41.9327 178.8316 29 E 3.9277 8.3521 118.6367 59.3191 29.3630 179.0578 30 Q 3.9274 8.3042 119.7396 59.3916 29.1547 177.8762 31 Y 3.8438 8.0212 120.4774 60.5757 38.8575 178.0539 32 V 3.5868 8.0729 119.3305 65.9960 31.4318 178.0715 33 K 3.9641 7.9702 117.1379 59.6904 31.9429 178.7653 34 D 4.4420 7.9214 118.4307 56.4750 40.8389 177.3421 35 T 4.2197 7.5403 106.7710 60.1382 70.6580 175.2358 36 G 3.9061 8.6701 110.1874 45.5692 0.0000 172.4481 37 N 5.5548 7.8114 115.5271 50.7651 42.5002 173.6583 38 D 4.4671 8.9598 120.8384 53.4952 41.7423 175.7214 39 P 4.0201 0.0000 0.0000 64.6215 31.8558 177.2877 40 I 4.1153 8.2984 120.0218 63.2774 37.7068 176.8539 41 T 4.2154 8.1154 106.7618 61.0719 69.4571 174.7589 42 N 4.3810 8.2121 118.0516 54.0911 37.0490 174.0167 43 E 4.3670 7.7262 118.0142 55.1612 31.0324 174.5625 44 P 4.9324 0.0000 0.0000 63.4451 32.0600 175.7575 45 L 4.8029 8.8871 125.5493 53.8781 45.3578 175.4482 46 S 4.7738 9.3113 122.4892 56.8773 64.8678 175.5151 47 I 3.7508 8.2545 124.1043 64.5494 37.0516 178.2982 48 E 4.1312 8.0505 118.1961 58.5942 29.4688 177.5829 49 E 4.2148 7.9310 117.3152 57.8380 29.9749 177.0909 50 I 3.8684 7.4359 120.4391 61.2900 37.9414 175.8071 51 V 4.1642 8.6031 127.2363 61.3007 32.8544 174.2567 52 E 4.5435 8.7029 130.1410 55.6491 30.1899 176.0268 53 I 4.0390 8.2360 128.5935 61.1310 38.0463 175.7305 54 V 4.1525 8.2628 126.4121 60.7580 32.7115 173.8527 55 P 4.4424 0.0000 0.0000 63.0591 31.4290 175.8777 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 4.44 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 2 L 7.72 4.42 0.00 1.65 1.45 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 3 C 9.29 4.20 0.00 2.99 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.78 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.85 4.15 2.01 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 1.47 0.92 0.96 0.00 0.00 6 S 8.09 4.28 0.00 3.99 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 7 G 8.38 3.87 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 0.00 0.00 0.00 8 K 7.70 4.43 0.00 1.85 1.72 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.36 7.81 9 V 8.11 3.88 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 0.81 0.00 0.00 0.92 0.00 0.00 10 P 0.00 4.62 0.00 2.32 2.06 0.00 3.91 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 11 R 9.13 4.16 0.00 1.83 2.03 0.00 3.11 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 12 R 8.60 4.77 0.00 1.70 1.81 0.00 3.14 0.00 0.00 3.23 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 13 P 0.00 4.88 0.00 2.12 2.19 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 14 V 9.07 4.99 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 0.73 0.00 0.00 1.13 0.00 0.00 15 L 8.85 5.19 0.00 1.75 1.52 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.84 4.92 0.00 4.01 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 17 P 0.00 4.44 0.00 2.23 2.18 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 18 K 7.81 4.18 0.00 2.02 2.13 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.47 1.53 7.81 19 S 8.21 4.33 0.00 4.06 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 20 R 7.78 3.97 0.00 1.97 2.03 0.00 3.11 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 1.59 1.60 0.00 21 T 7.69 4.68 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 0.68 0.00 0.00 22 I 7.86 4.62 1.72 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 1.27 1.25 0.87 0.00 0.00 23 F 9.10 5.14 0.00 2.96 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.80 4.31 0.00 2.09 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 2.41 2.39 0.00 25 K 8.79 3.91 0.00 2.10 1.82 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.48 7.81 26 S 8.04 4.18 0.00 4.10 4.12 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 0.00 0.00 0.00 27 L 7.85 4.00 0.00 1.93 1.81 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.03 3.75 0.00 1.48 1.56 0.06 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.35 3.93 0.00 2.05 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 2.32 2.49 0.00 30 Q 8.30 3.93 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 31 Y 8.02 3.84 0.00 3.13 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 32 V 8.07 3.59 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 0.98 0.00 0.00 0.96 0.00 0.00 33 K 7.97 3.96 0.00 1.87 1.83 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.57 7.81 34 D 7.92 4.44 0.00 2.55 2.54 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 0.00 0.00 0.00 0.00 35 T 7.54 4.22 4.03 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 0.00 0.00 0.00 0.45 0.00 0.00 36 G 8.67 3.91 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 0.00 0.00 0.00 37 N 7.81 5.55 0.00 2.83 2.79 0.00 0.00 6.85 8.21 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 38 D 8.96 4.47 0.00 2.72 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 39 P 0.00 4.02 0.00 1.70 0.49 0.00 3.49 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.32 0.00 40 I 8.30 4.12 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.69 0.93 0.00 0.00 41 T 8.12 4.22 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 1.24 0.00 0.00 42 N 8.21 4.38 0.00 2.95 3.00 0.00 0.00 6.99 7.49 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 43 E 7.73 4.37 0.00 1.92 1.87 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 2.34 2.47 0.00 44 P 0.00 4.93 0.00 1.93 2.00 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 45 L 8.89 4.80 0.00 1.55 1.49 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.31 4.77 0.00 4.01 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 47 I 8.25 3.75 1.86 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 1.40 1.11 0.91 0.00 0.00 48 E 8.05 4.13 0.00 1.93 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 2.31 2.39 0.00 49 E 7.93 4.21 0.00 2.14 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 0.00 2.33 2.28 0.00 50 I 7.44 3.87 1.99 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 1.09 0.65 0.93 0.00 0.00 51 V 8.60 4.16 2.11 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 1.02 0.00 0.00 1.00 0.00 0.00 52 E 8.70 4.54 0.00 2.04 1.85 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 2.29 2.35 0.00 53 I 8.24 4.04 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 1.12 0.67 0.92 0.00 0.00 54 V 8.26 4.15 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 0.84 0.00 0.00 0.94 0.00 0.00 55 P 0.00 4.44 0.00 2.22 2.01 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00