NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3746 8.3001 120.3266 55.1289 34.1059 176.1109 2 A 3.9878 7.8722 120.1187 53.0468 19.7418 175.3835 3 A 4.4230 8.4214 123.0268 50.7679 19.7114 175.5480 4 I 3.8512 8.0357 124.4045 63.4743 37.9864 178.0418 5 E 4.6269 7.5156 118.9008 53.7777 29.9763 177.3613 6 K 4.2699 7.3855 119.8933 56.2698 33.2283 173.8857 7 R 4.3542 7.6852 118.1036 55.5798 30.9386 172.7530 8 Q 4.3360 8.5131 119.8328 56.1879 31.5993 175.8088 9 K 4.4244 7.4816 125.4412 54.9348 32.1727 176.7965 10 E 3.9316 8.4630 125.0033 58.6121 29.5737 178.4813 11 I 3.6481 7.9496 112.8414 64.1189 37.1468 177.8259 12 A 3.9420 7.5410 121.8675 55.2178 18.2481 179.1769 13 D 4.4146 8.1775 116.7237 57.6595 40.8962 179.4193 14 G 3.5889 8.3493 106.0883 47.3893 0.0000 176.0049 15 L 3.9455 8.0835 121.2649 57.8262 41.7060 179.4196 16 A 3.9989 8.1601 120.7825 55.1541 18.1498 179.9378 17 S 4.0604 8.3820 113.7812 61.6504 62.8836 176.6865 18 A 4.0860 8.2798 123.6262 54.6086 18.0963 179.4508 19 E 3.8266 8.4876 118.3452 59.6472 29.7867 179.1413 20 R 3.9209 8.1694 117.9898 59.1312 30.0250 179.0441 21 A 3.9537 7.8104 120.5253 55.5310 18.4440 179.2173 22 H 3.9893 8.4014 114.7757 59.0947 28.7634 178.2314 23 K 3.9670 8.4401 120.4176 59.3718 31.8337 178.7449 24 D 4.2989 8.2414 118.3750 57.4056 41.1259 178.0513 25 L 3.9149 8.2375 120.9696 58.2699 41.9855 178.4254 26 D 4.3395 8.2408 118.7491 57.6379 40.7643 178.7713 27 L 3.9502 8.3526 119.3103 57.8201 41.5415 179.5126 28 A 3.9641 8.2048 120.6089 55.1120 18.3123 179.5963 29 K 3.8029 8.4344 116.7700 59.6081 32.1393 179.2721 30 A 3.9658 8.2063 121.0202 55.3402 18.2403 179.4981 31 S 3.9953 8.3983 111.6372 61.4547 62.4341 176.1827 32 A 3.9535 8.2152 123.4239 55.5048 18.1907 179.4094 33 T 3.7629 8.1111 114.2913 66.9779 68.5710 176.1048 34 D 4.3168 8.3108 119.7355 57.4955 41.1737 178.2438 35 Q 3.9828 8.3564 118.6962 59.0013 28.7155 178.9176 36 L 3.9404 8.3622 120.0273 57.7453 41.6558 179.3156 37 K 3.8326 8.3983 119.8590 59.4939 31.9662 178.4102 38 K 3.8541 8.4441 119.7515 59.4693 32.0893 178.2526 39 A 3.9826 8.1341 120.9706 55.4046 18.0866 179.3901 40 K 3.8071 8.1728 115.3124 59.8494 32.6182 178.8566 41 A 4.1190 8.4117 120.9994 55.6022 17.9988 179.5955 42 E 4.0287 8.2826 116.2576 59.3170 29.6042 178.7039 43 A 4.1226 7.8588 120.3963 55.9745 18.3701 176.3611 44 Q 4.2335 7.2995 122.6801 54.4190 35.6393 173.4762 45 V 4.1810 7.2801 112.6312 61.2365 33.8138 171.9067 46 I 4.5450 8.3295 125.1979 59.1003 40.8524 175.1124 47 I 3.9618 8.3334 118.5893 61.0156 38.0925 174.4414 48 E 4.7508 8.3704 118.9191 54.4615 32.0521 175.5486 49 Q 4.3090 8.4273 119.1007 54.7150 30.1388 175.1500 50 A 4.4142 8.3762 125.1242 51.0689 18.9037 176.6960 51 N 4.5231 8.7207 120.9529 55.5485 38.9304 175.1937 52 K 4.3826 7.3743 115.0455 56.0758 34.7206 175.4666 53 R 4.1304 7.6137 122.5197 56.9772 29.8474 174.3015 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 4.37 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 2 A 7.87 3.99 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 3 A 8.42 4.42 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.04 3.85 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 0.58 0.91 0.00 0.00 5 E 7.52 4.63 0.00 1.87 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 6 K 7.39 4.27 0.00 1.71 1.67 0.00 1.88 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.35 7.81 7 R 7.69 4.35 0.00 1.87 1.83 0.00 3.08 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.55 0.00 8 Q 8.51 4.34 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.08 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 9 K 7.48 4.42 0.00 1.83 1.73 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.42 7.81 10 E 8.46 3.93 0.00 2.01 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 2.39 2.36 0.00 11 I 7.95 3.65 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 1.57 0.45 0.91 0.00 0.00 12 A 7.54 3.94 1.32 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 0.00 0.00 0.00 13 D 8.18 4.41 0.00 2.82 2.74 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 14 G 8.35 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 3.95 0.00 1.96 1.71 0.90 1.00 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 16 A 8.16 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.38 4.06 0.00 3.97 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 18 A 8.28 4.09 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.49 3.83 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 2.30 2.35 0.00 20 R 8.17 3.92 0.00 2.06 1.98 0.00 3.18 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 1.66 1.75 0.00 21 A 7.81 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.40 3.99 0.00 3.37 3.40 0.00 5.82 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 23 K 8.44 3.97 0.00 1.99 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.46 7.81 24 D 8.24 4.30 0.00 2.88 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 25 L 8.24 3.91 0.00 1.89 1.62 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.24 4.34 0.00 3.08 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 27 L 8.35 3.95 0.00 1.85 1.73 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.20 3.96 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 0.00 0.00 0.00 0.00 0.00 29 K 8.43 3.80 0.00 1.91 1.88 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.56 7.81 30 A 8.21 3.97 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 31 S 8.40 4.00 0.00 3.88 4.15 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 0.00 0.00 0.00 0.00 32 A 8.22 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.11 3.76 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 34 D 8.31 4.32 0.00 3.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.36 3.98 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 36 L 8.36 3.94 0.00 1.78 1.71 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.40 3.83 0.00 1.76 2.03 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.61 7.81 38 K 8.44 3.85 0.00 2.02 1.94 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.51 7.81 39 A 8.13 3.98 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 0.00 0.00 0.00 0.00 0.00 40 K 8.17 3.81 0.00 1.96 1.89 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.47 7.81 41 A 8.41 4.12 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 42 E 8.28 4.03 0.00 2.24 2.02 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 2.34 2.46 0.00 43 A 7.86 4.12 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 0.00 0.00 0.00 0.00 0.00 44 Q 7.30 4.23 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 45 V 7.28 4.18 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 0.79 0.00 0.00 0.93 0.00 0.00 46 I 8.33 4.55 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 1.47 0.46 0.91 0.00 0.00 47 I 8.33 3.96 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 1.41 0.52 0.91 0.00 0.00 48 E 8.37 4.75 0.00 1.94 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 2.20 2.25 0.00 49 Q 8.43 4.31 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 50 A 8.38 4.41 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 51 N 8.72 4.52 0.00 2.71 2.88 0.00 0.00 6.88 7.61 0.00 0.00 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 K 7.37 4.38 0.00 1.66 1.72 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.32 7.81 53 R 7.61 4.13 0.00 1.75 1.70 0.00 3.32 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00