NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9087 8.3549 109.7330 44.9366 0.0000 173.0397 2 R 4.3645 7.8261 118.6950 53.8888 31.8167 174.2685 3 Q 4.6128 8.9353 121.3382 53.4670 33.4615 174.5620 4 F 4.3383 8.6489 119.8778 59.4957 39.3329 176.0295 5 G 4.0232 9.5380 113.3358 45.6934 0.0000 173.3620 6 H 4.9847 7.9127 113.6668 55.2644 30.0327 174.7161 7 L 4.0462 7.5504 120.0041 56.5669 41.9709 177.5225 8 T 4.4780 7.2034 111.3964 61.2995 70.5908 172.3035 9 R 4.5224 8.3248 122.9106 54.4423 31.2011 175.3498 10 V 4.4737 8.1697 123.8984 61.1074 34.5614 174.4741 11 R 4.4948 8.0210 124.4863 55.9292 33.4629 174.5471 12 H 4.1628 8.9080 116.6721 56.8967 25.5268 174.8286 13 V 4.2826 7.8018 118.4122 61.1101 33.2129 174.3872 14 I 4.1536 8.2253 128.1393 59.8524 38.4723 175.1627 15 T 4.3583 8.0490 121.3971 61.8480 70.3022 172.9968 16 Y 4.6506 8.4224 124.6007 56.6709 39.2124 175.3289 17 S 4.8302 8.5473 119.8232 56.5038 66.7308 172.9647 18 L 4.7588 8.1227 123.8658 52.6837 44.4810 176.1921 19 S 4.2724 8.5130 118.5028 58.0182 62.8194 173.5880 20 P 4.1852 0.0000 0.0000 65.2481 31.1352 177.3424 21 F 4.5091 7.8850 114.8094 58.0834 39.2285 176.1993 22 E 4.4303 8.0168 119.8232 56.8484 29.9791 175.9382 23 Q 4.6349 7.4980 114.9416 53.9749 31.8753 174.6806 24 R 4.1850 8.3076 117.7005 55.4895 31.0369 177.1270 25 A 3.8234 8.4682 124.7582 54.3086 18.7679 177.8585 26 F 4.8050 7.4681 113.4877 54.8440 39.1039 172.9565 27 P 4.4223 0.0000 0.0000 65.3703 32.2958 177.6406 28 H 4.9366 7.7260 114.5134 54.3910 29.7942 173.3132 29 Y 4.0863 8.1933 124.4797 60.3071 39.6886 177.6026 30 F 4.3685 8.0259 117.5365 59.7252 39.9495 178.0778 31 S 4.2173 8.4123 115.3901 61.0619 62.4494 175.2991 32 K 4.3616 8.1037 118.5014 57.5646 33.6411 179.1299 33 G 3.5945 7.9084 106.8472 47.2445 0.0000 175.3386 34 I 3.6761 7.4143 122.7704 63.7459 37.3759 176.5321 35 P 4.2692 0.0000 0.0000 65.8224 31.0025 178.4765 36 N 4.3207 7.8701 114.3535 56.2540 38.5008 177.7047 37 V 3.6157 7.5715 120.1682 64.9211 31.2341 178.1795 38 L 3.9506 7.7717 119.3246 57.4844 41.5214 179.5137 39 R 3.8775 7.8608 118.0651 59.5851 30.1786 178.8103 40 R 3.9570 8.4248 118.2723 59.3706 29.9168 179.1971 41 T 3.9129 8.3070 115.9671 66.6457 68.3105 176.3276 42 R 3.8524 8.0120 119.3118 59.8189 30.0822 177.8147 43 A 4.1569 7.8329 119.0145 54.5035 18.6374 178.2988 44 C 4.7124 7.6213 109.9296 58.2197 31.2180 176.0227 45 I 3.7076 7.9913 116.7057 64.5219 36.6363 177.9871 46 L 4.0953 7.8957 118.4139 56.6889 41.5845 178.7130 47 R 4.2421 7.7472 116.9111 57.9388 30.6782 178.1881 48 V 3.9603 7.7364 116.6066 65.3759 32.2503 177.6765 49 A 4.3449 8.1181 120.4284 54.9599 18.4203 177.7691 50 P 4.2942 0.0000 0.0000 65.3817 31.2755 177.0577 51 P 4.2390 0.0000 0.0000 65.4064 31.1492 178.5965 52 F 4.6262 8.0012 116.3249 60.3838 39.0382 177.8454 53 V 3.8317 8.2085 117.8735 66.0568 31.2080 177.8897 54 A 4.1559 8.1292 120.3355 55.0085 18.0897 179.3832 55 F 4.1870 8.8119 119.6050 61.7027 39.4904 176.5746 56 Y 3.9820 8.5966 119.5244 60.7827 38.4801 178.2562 57 L 3.8436 8.5204 120.1185 57.8700 41.7898 179.7556 58 V 3.6526 7.5298 118.2950 65.7777 31.4015 177.4281 59 Y 3.8554 7.9429 119.8405 60.9299 38.6831 178.2805 60 T 3.5037 7.7673 116.5953 66.2121 68.4587 176.5575 61 W 4.0746 8.3639 130.5715 60.3162 30.7440 178.2949 62 G 3.3274 8.2373 105.6224 47.9902 0.0000 175.7961 63 T 3.7536 7.4636 118.4521 66.2754 68.4197 176.7435 64 Q 3.7987 7.6011 119.6387 58.8917 28.8492 178.5282 65 E 3.5457 7.7286 120.5693 58.9590 29.3934 178.5701 66 F 4.1075 7.9545 120.6530 61.1947 39.2154 176.8084 67 E 3.6353 7.7510 116.9637 59.5098 29.5386 179.3798 68 K 4.0023 7.8724 118.2497 59.3597 31.8184 179.4657 69 S 4.1087 7.6328 112.4331 60.2915 62.3196 174.2440 70 K 4.4232 7.0275 119.6047 56.4362 32.3188 176.3814 71 R 4.5632 7.3988 116.5100 54.3393 32.9433 175.9167 72 K 4.4271 8.2416 120.4493 55.2776 33.6704 174.5887 73 N 4.7291 7.8631 116.5039 53.0343 41.8415 172.6477 74 P 4.6441 0.0000 0.0000 61.1230 31.1259 175.2676 75 A 4.1254 8.0186 127.1349 53.0215 18.8978 176.0592 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 G 8.35 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 2 R 7.83 4.36 0.00 1.78 1.77 0.00 3.27 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 3 Q 8.94 4.61 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 7.05 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 4 F 8.65 4.34 0.00 3.05 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.54 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 0.00 0.00 0.00 6 H 7.91 4.98 0.00 3.27 3.22 0.00 5.66 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.55 4.05 0.00 1.58 1.57 0.47 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.20 4.48 4.22 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 1.20 0.00 0.00 9 R 8.32 4.52 0.00 1.79 1.79 0.00 3.23 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 10 V 8.17 4.47 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 0.89 0.00 0.00 0.93 0.00 0.00 11 R 8.02 4.49 0.00 1.54 1.25 0.00 3.29 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 12 H 8.91 4.16 0.00 3.34 3.44 0.00 5.64 0.00 0.00 0.00 0.00 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.80 4.28 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 0.83 0.00 0.00 0.97 0.00 0.00 14 I 8.23 4.15 1.64 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 1.31 0.65 0.19 0.00 0.00 15 T 8.05 4.36 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 1.19 0.00 0.00 16 Y 8.42 4.65 0.00 2.97 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 17 S 8.55 4.83 0.00 3.82 3.73 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 18 L 8.12 4.76 0.00 1.56 1.52 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.51 4.27 0.00 3.96 3.81 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 0.00 0.00 0.00 20 P 0.00 4.19 0.00 1.48 1.82 0.00 3.84 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 21 F 7.89 4.51 0.00 2.97 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 22 E 8.02 4.43 0.00 2.19 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 2.36 2.42 0.00 23 Q 7.50 4.63 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 24 R 8.31 4.19 0.00 1.81 1.89 0.00 3.27 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 25 A 8.47 3.82 0.79 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 0.00 0.00 26 F 7.47 4.80 0.00 2.85 2.69 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 0.00 0.00 0.00 0.00 27 P 0.00 4.42 0.00 2.08 2.12 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 28 H 7.73 4.94 0.00 3.23 3.21 0.00 5.81 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.19 4.09 0.00 2.94 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 30 F 8.03 4.37 0.00 3.17 3.01 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 0.00 0.00 0.00 31 S 8.41 4.22 0.00 3.91 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 32 K 8.10 4.36 0.00 2.06 1.83 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.36 7.81 33 G 7.91 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 34 I 7.41 3.68 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.14 0.92 0.00 0.00 35 P 0.00 4.27 0.00 2.14 2.12 0.00 3.61 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 2.28 2.20 0.00 36 N 7.87 4.32 0.00 3.01 2.84 0.00 0.00 6.70 7.56 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 37 V 7.57 3.62 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 1.07 0.00 0.00 0.92 0.00 0.00 38 L 7.77 3.95 0.00 1.75 1.76 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.86 3.88 0.00 2.04 2.12 0.00 3.09 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 1.63 1.67 0.00 40 R 8.42 3.96 0.00 2.01 1.96 0.00 3.18 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 41 T 8.31 3.91 4.39 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 1.21 0.00 0.00 42 R 8.01 3.85 0.00 1.99 2.08 0.00 3.28 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 43 A 7.83 4.16 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 44 C 7.62 4.71 0.00 3.25 3.16 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 0.00 0.00 0.00 0.00 45 I 7.99 3.71 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 1.58 0.83 0.98 0.00 0.00 46 L 7.90 4.10 0.00 1.65 1.78 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.75 4.24 0.00 1.92 1.98 0.00 3.25 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 48 V 7.74 3.96 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.05 0.00 0.00 49 A 8.12 4.34 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 50 P 0.00 4.29 0.00 2.17 2.14 0.00 3.67 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.21 0.00 51 P 0.00 4.24 0.00 1.61 1.86 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 52 F 8.00 4.63 0.00 3.31 3.08 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 53 V 8.21 3.83 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 1.04 0.00 0.00 1.08 0.00 0.00 54 A 8.13 4.16 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.81 4.19 0.00 3.25 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.60 3.98 0.00 3.32 3.28 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 57 L 8.52 3.84 0.00 1.69 1.69 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.53 3.65 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 1.07 0.00 0.00 0.98 0.00 0.00 59 Y 7.94 3.86 0.00 2.17 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 60 T 7.77 3.50 3.98 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 1.14 0.00 0.00 61 W 8.36 4.07 0.00 3.38 3.24 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 62 G 8.24 3.33 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 0.00 63 T 7.46 3.75 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 1.04 0.00 0.00 64 Q 7.60 3.80 0.00 2.17 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 65 E 7.73 3.55 0.00 1.16 1.14 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 0.00 1.47 1.97 0.00 66 F 7.95 4.11 0.00 3.07 3.13 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 0.00 0.00 0.00 0.00 67 E 7.75 3.64 0.00 2.14 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 2.25 2.32 0.00 68 K 7.87 4.00 0.00 1.66 1.75 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.47 7.81 69 S 7.63 4.11 0.00 3.99 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.03 4.42 0.00 1.48 1.57 0.00 1.50 0.00 0.00 1.08 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.28 1.21 7.81 71 R 7.40 4.56 0.00 1.79 1.73 0.00 3.07 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 72 K 8.24 4.43 0.00 1.70 1.73 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.32 7.81 73 N 7.86 4.73 0.00 2.58 2.63 0.00 0.00 6.82 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 74 P 0.00 4.64 0.00 2.19 2.05 0.00 3.83 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 75 A 8.02 4.13 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