NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4483 8.2649 123.5779 52.2518 20.8074 177.0218 2 D 4.8194 8.1675 124.9545 53.1904 39.3900 173.4069 3 V 3.8838 8.7774 131.1573 64.4764 32.9554 174.4425 4 V 4.3490 8.9354 129.0171 61.4541 33.7312 174.2723 5 T 4.7044 8.4450 124.8197 62.1896 69.9903 174.4313 6 Y 4.1121 8.4266 125.7667 57.1813 38.1135 174.4216 7 E 4.4510 8.5414 125.0243 55.0712 28.1263 176.2159 8 N 4.8544 7.9905 120.2748 50.4310 39.9434 175.9872 9 A 4.0217 8.5092 120.7381 54.8213 18.5193 178.1553 10 A 4.3994 8.0590 117.4763 52.0548 18.8392 177.4741 11 G 4.2394 8.5084 105.9051 47.4530 0.0000 174.2999 12 N 5.0964 9.0445 120.7996 52.3585 38.1923 175.8095 13 V 4.3109 7.7623 115.6349 59.4299 33.3308 173.3294 14 T 3.2681 7.9733 119.8449 63.4123 64.8262 170.7299 15 F 4.5387 9.0427 125.4408 56.7026 38.5968 175.9474 16 D 4.8537 8.3343 130.1515 52.6428 39.4825 176.6141 17 H 3.9775 8.4398 123.0186 59.3904 29.9062 176.0260 18 K 4.1582 7.5704 119.6964 58.6318 31.9736 178.0827 19 A 4.0343 7.9688 119.8378 55.5731 18.7128 179.1191 20 H 4.0888 8.6754 114.6424 59.2036 28.8896 177.7271 21 A 4.0713 7.6372 121.7363 55.3927 17.9656 179.3442 22 E 4.1459 8.4455 116.4283 59.1489 29.4931 179.4480 23 K 4.2122 7.4487 116.5974 58.7379 32.5736 178.5203 24 L 4.4076 8.3679 117.8614 53.7103 42.1509 176.8814 25 G 4.2578 9.0116 107.2046 47.0090 0.0000 174.4159 26 C 4.2177 8.2058 121.1257 61.0059 27.3558 175.5297 27 D 4.7870 8.4250 117.2159 56.7913 40.5855 179.0746 28 A 4.0050 7.1554 120.0956 54.9478 18.2637 177.8304 29 C 4.5732 8.2260 110.0932 59.8195 29.3370 174.2138 30 H 4.6628 8.4679 119.0295 54.8644 30.3861 172.7011 31 E 4.3894 8.4864 125.5894 56.5559 26.8008 176.5724 32 G 4.0818 8.3745 114.9161 45.6010 0.0000 171.9189 33 T 4.3201 7.4610 122.7682 60.3545 68.4163 172.9441 34 P 4.1184 0.0000 0.0000 62.3771 32.0588 175.5426 35 A 4.4179 7.7739 123.3295 50.8485 21.8811 176.4061 36 K 4.2866 8.3661 118.9931 56.3371 31.3273 176.4640 37 I 3.6801 8.1116 126.3744 61.2049 37.5603 176.2863 38 A 4.2093 8.5485 128.3557 52.0885 17.5598 176.3935 39 I 4.2707 8.1555 122.7648 61.3925 38.6949 175.7058 40 D 4.7090 8.1104 121.9886 51.9151 45.2263 175.9761 41 K 3.9746 8.5727 121.2048 59.1519 32.7023 178.1903 42 K 4.1494 9.2074 122.6347 58.9914 32.2484 178.4638 43 S 4.0578 7.8649 114.0375 61.8158 62.9530 176.8058 44 A 4.1430 8.1268 123.2236 54.1116 18.1003 178.3149 45 H 4.7591 7.9321 112.3551 56.4828 29.9699 176.7521 46 K 4.1589 7.6061 120.8234 58.5529 32.5048 176.0118 47 D 4.6997 8.4012 115.5036 55.0501 46.4176 174.8853 48 A 4.0276 7.8623 121.3785 53.9635 18.8991 176.2135 49 C 3.7717 8.4472 124.1464 60.9755 26.7413 175.3423 50 K 3.7536 7.5450 117.2155 60.6553 31.1669 178.9953 51 T 3.8878 8.5198 115.5977 66.7513 68.2394 176.3136 52 C 4.0968 7.8961 119.0036 62.8185 32.0274 174.5919 53 H 4.2834 8.1920 117.6797 59.1143 28.1493 177.4996 54 K 3.8445 8.3121 118.7454 59.8495 32.1006 178.9629 55 S 4.3017 8.1292 110.8071 60.9495 62.6296 172.5630 56 N 5.1373 7.8198 117.2859 52.2308 42.1914 173.3674 57 N 4.6623 8.5449 113.9066 53.5251 37.8332 175.2688 58 G 3.7629 7.5577 107.0194 44.5777 0.0000 172.5205 59 P 4.5636 0.0000 0.0000 62.5782 29.6052 177.7074 60 T 4.3009 7.5111 124.4010 62.5340 67.0438 174.0868 61 K 4.4260 7.3491 121.5727 55.4664 35.7661 175.2081 62 C 4.1019 8.8871 123.3791 63.2182 28.1303 176.5898 63 G 4.0479 8.1148 106.1930 47.4450 0.0000 174.7154 64 G 3.7220 8.0784 108.8075 47.9651 0.0000 174.1380 65 C 4.5940 8.1904 116.0775 61.6050 30.7594 173.7888 66 H 4.8889 8.5800 117.3105 54.7865 29.7382 175.0673 67 I 4.1624 8.7481 125.6527 61.5008 38.0870 176.6653 68 K 4.1102 8.4369 125.2099 57.3784 32.0704 175.5134 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 A 8.26 4.45 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 2 D 8.17 4.82 0.00 2.77 2.23 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 3 V 8.78 3.88 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 0.73 0.00 0.00 0.97 0.00 0.00 4 V 8.94 4.35 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 0.92 0.00 0.00 1.10 0.00 0.00 5 T 8.44 4.70 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 1.24 0.00 0.00 6 Y 8.43 4.11 0.00 2.62 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 7 E 8.54 4.45 0.00 1.92 1.91 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 2.30 2.38 0.00 8 N 7.99 4.85 0.00 2.86 2.91 0.00 0.00 6.67 7.70 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 9 A 8.51 4.02 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 A 8.06 4.40 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 11 G 8.51 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 0.00 0.00 0.00 0.00 12 N 9.04 5.10 0.00 3.06 3.00 0.00 0.00 6.73 7.69 0.00 0.00 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 7.76 4.31 2.04 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 1.21 0.00 0.00 0.95 0.00 0.00 14 T 7.97 3.27 4.30 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 1.31 0.00 0.00 15 F 9.04 4.54 0.00 2.90 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.33 4.85 0.00 3.01 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 17 H 8.44 3.98 0.00 3.32 3.55 0.00 5.69 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.57 4.16 0.00 2.02 1.70 0.00 2.01 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.56 7.81 19 A 7.97 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.68 4.09 0.00 3.38 3.36 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.64 4.07 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.45 4.15 0.00 2.07 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 2.51 2.53 0.00 23 K 7.45 4.21 0.00 1.97 1.84 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 24 L 8.37 4.41 0.00 1.72 1.70 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 25 G 9.01 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 0.00 0.00 0.00 0.00 26 C 8.21 4.22 0.00 3.20 3.12 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 D 8.43 4.79 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 28 A 7.16 4.00 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 29 C 8.23 4.57 0.00 2.80 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 H 8.47 4.66 0.00 3.26 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.49 4.39 0.00 1.97 1.93 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 2.32 2.31 0.00 32 G 8.37 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 33 T 7.46 4.32 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 34 P 0.00 4.12 0.00 2.00 1.90 0.00 3.77 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 1.93 1.92 0.00 35 A 7.77 4.42 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 36 K 8.37 4.29 0.00 1.95 1.95 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.50 7.81 37 I 8.11 3.68 1.87 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 1.37 0.78 0.89 0.00 0.00 38 A 8.55 4.21 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 39 I 8.16 4.27 2.08 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.65 0.80 0.00 0.00 40 D 8.11 4.71 0.00 2.73 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 41 K 8.57 3.97 0.00 2.05 1.99 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.54 7.81 42 K 9.21 4.15 0.00 1.96 1.77 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.49 7.81 43 S 7.86 4.06 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.13 4.14 1.22 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 45 H 7.93 4.76 0.00 3.21 3.32 0.00 5.72 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 46 K 7.61 4.16 0.00 1.94 1.81 0.00 1.79 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.44 7.81 47 D 8.40 4.70 0.00 2.67 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.86 4.03 1.20 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 0.00 0.00 49 C 8.45 3.77 0.00 2.95 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.54 3.75 0.00 1.85 1.84 0.00 1.73 0.00 0.00 1.94 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.53 7.81 51 T 8.52 3.89 4.29 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 1.20 0.00 0.00 52 C 7.90 4.10 0.00 2.93 3.07 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 0.00 0.00 0.00 0.00 53 H 8.19 4.28 0.00 3.45 3.34 0.00 5.71 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 54 K 8.31 3.84 0.00 1.86 1.90 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.64 7.81 55 S 8.13 4.30 0.00 3.95 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 56 N 7.82 5.14 0.00 2.70 2.69 0.00 0.00 6.99 8.02 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 57 N 8.54 4.66 0.00 2.69 2.79 0.00 0.00 6.73 7.64 0.00 0.00 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 G 7.56 3.76 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 0.00 0.00 0.00 59 P 0.00 4.56 0.00 2.31 2.08 0.00 3.49 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 60 T 7.51 4.30 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 1.22 0.00 0.00 61 K 7.35 4.43 0.00 1.74 1.59 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.42 7.81 62 C 8.89 4.10 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.11 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.08 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.19 4.59 0.00 2.86 2.87 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 66 H 8.58 4.89 0.00 3.19 3.40 0.00 5.63 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.75 4.16 1.99 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 1.56 1.30 0.93 0.00 0.00 68 K 8.44 4.11 0.00 1.82 1.73 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.45 7.81