NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9130 8.3393 109.7376 45.3274 0.0000 177.1449 2 S 4.2542 8.5163 120.8957 54.5409 63.3286 171.0125 3 S 4.7375 8.4672 121.6095 56.6245 65.7333 176.0448 4 G 3.8868 8.3846 111.7615 45.5581 0.0000 173.9413 5 S 4.3337 7.8648 117.0420 56.6560 63.4644 168.8970 6 S 3.6539 8.8682 124.8574 58.2854 61.1348 171.1237 7 G 4.1769 8.1202 110.2162 45.6144 0.0000 171.0905 8 E 4.8874 8.3894 118.0065 54.4011 32.0812 175.6025 9 E 4.7618 8.9597 125.0658 56.0323 30.5434 176.0731 10 F 4.8026 9.8634 122.5658 55.6740 44.3689 173.6449 11 V 5.1111 8.2364 117.4225 59.8825 34.7943 174.4137 12 A 4.6578 8.5113 129.4729 51.8597 18.8857 177.9866 13 I 4.0454 9.6678 117.8824 62.3921 38.1372 176.3616 14 A 4.4114 7.6715 122.2908 51.1638 21.4616 175.7059 15 D 4.6767 9.0064 121.8429 54.0820 39.2466 175.1059 16 Y 4.7862 8.3529 122.5221 55.5668 42.8734 174.0052 17 A 4.2359 6.6771 122.9737 49.3160 21.5106 175.8369 18 A 3.8319 7.7957 124.2807 52.8109 18.2317 177.8307 19 T 4.0388 8.9620 118.9351 64.7559 69.2192 173.9990 20 D 5.0518 7.9023 119.4200 52.3039 43.9865 175.1039 21 E 4.5405 8.6541 115.5437 56.9130 29.6874 176.4513 22 T 4.7843 7.8936 107.0512 61.8067 70.4277 172.7903 23 Q 6.0135 8.1567 119.2487 53.8206 32.3807 174.4640 24 L 4.8514 8.6938 120.1727 53.3519 43.9817 176.0693 25 S 4.6188 8.6785 118.8827 56.7094 65.1384 173.2509 26 F 5.5110 7.2885 118.7227 54.5754 42.1402 172.8733 27 L 4.9892 8.6499 119.2644 52.4728 44.3151 175.0296 28 R 4.7257 8.1762 123.3498 57.8968 30.1390 174.8027 29 G 4.1754 9.5046 113.1013 45.6312 0.0000 173.7463 30 E 3.9060 8.8580 119.5354 57.0810 30.6634 177.4048 31 K 4.6086 8.7359 123.4538 56.3036 32.1433 175.9683 32 I 4.1556 8.8864 127.2415 59.8938 39.2147 174.8213 33 L 4.7282 8.3593 128.7275 54.0402 43.4951 175.8319 34 I 4.4756 9.5235 130.4447 59.4631 35.2800 175.8207 35 L 4.0304 8.3327 123.6224 57.6154 41.5091 177.0063 36 R 4.6002 8.9555 117.3836 55.1394 33.9967 175.6448 37 Q 3.7569 8.6199 121.5098 58.2587 29.1944 176.3182 38 T 3.6087 7.6797 114.9231 63.5966 67.0419 171.9611 39 T 4.7665 7.9939 110.4046 59.9404 71.6934 173.7741 40 A 4.9011 8.6942 123.4604 52.7847 19.2721 177.3089 41 D 4.7429 8.3606 116.6113 55.0424 44.3943 175.9464 42 W 5.1170 8.3151 117.4206 54.6581 31.7640 175.3602 43 W 5.6574 10.2308 124.8798 54.0630 32.6389 174.7597 44 W 4.6223 9.8579 133.7635 56.1240 31.0854 175.5699 45 G 4.6472 7.9173 114.9474 43.9914 0.0000 170.9167 46 E 4.6773 8.1251 119.7241 54.8232 32.4733 175.2886 47 R 4.2688 8.2261 126.7222 54.5102 32.3232 174.9518 48 A 3.8392 8.4904 121.8968 53.7018 17.4292 177.4341 49 G 3.9379 8.7690 108.6075 47.0488 0.0000 171.6351 50 C 4.8516 7.6364 117.0926 57.8545 30.9988 173.2029 51 C 4.4041 8.2809 115.9007 57.1588 30.9334 173.1554 52 G 3.9806 7.5858 110.2711 45.2274 0.0000 169.9931 53 Y 5.0539 9.0744 117.4533 56.5720 40.0298 175.4938 54 I 5.2260 9.7034 116.3876 58.4312 41.3947 173.2073 55 P 4.1570 0.0000 0.0000 62.5685 32.5880 176.1882 56 A 3.3490 7.5780 122.8012 48.7501 17.3991 175.0937 57 N 4.4035 7.3159 128.8967 55.0348 40.4655 176.6786 58 H 4.2277 7.3501 114.9882 57.5878 29.1760 175.3403 59 V 4.6539 6.6139 108.5330 59.1272 34.6663 176.5112 60 G 3.9955 8.7365 108.2444 46.9733 0.0000 172.9248 61 K 3.7172 8.8002 123.9999 56.2833 32.2832 174.2938 62 H 4.6937 8.0569 114.7326 54.1842 32.7481 172.7589 63 S 4.7159 8.1320 115.0423 56.9288 64.3366 174.5639 64 G 4.0746 7.6594 113.7678 45.7033 0.0000 171.3558 65 P 4.3439 0.0000 0.0000 63.0771 32.1847 176.1066 66 S 3.5683 8.4140 112.7322 59.1241 60.5793 171.8060 67 S 4.5340 8.0980 118.3730 57.7168 64.1204 175.1912 68 G 4.0061 8.2711 115.2778 46.1404 0.0000 173.8593 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 8.34 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 S 8.52 4.25 0.00 4.01 3.85 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 0.00 0.00 0.00 3 S 8.47 4.74 0.00 3.99 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 4 G 8.38 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 0.00 0.00 0.00 5 S 7.86 4.33 0.00 3.83 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.87 3.65 0.00 4.03 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 7 G 8.12 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.39 4.89 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 9 E 8.96 4.76 0.00 1.88 1.90 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 2.33 2.37 0.00 10 F 9.86 4.80 0.00 2.96 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 11 V 8.24 5.11 2.05 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 1.30 0.00 0.00 1.00 0.00 0.00 12 A 8.51 4.66 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 13 I 9.67 4.05 1.87 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 1.23 0.65 0.91 0.00 0.00 14 A 7.67 4.41 1.26 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 15 D 9.01 4.68 0.00 2.80 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 16 Y 8.35 4.79 0.00 2.52 1.78 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.68 4.24 0.88 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 0.00 0.00 18 A 7.80 3.83 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 19 T 8.96 4.04 4.33 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 1.26 0.00 0.00 20 D 7.90 5.05 0.00 2.89 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 21 E 8.65 4.54 0.00 2.09 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 0.00 2.26 2.25 0.00 22 T 7.89 4.78 4.38 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 1.26 0.00 0.00 23 Q 8.16 6.01 0.00 2.10 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.23 0.00 0.00 0.00 0.00 0.00 2.83 2.44 0.00 24 L 8.69 4.85 0.00 1.71 1.76 0.88 0.82 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 25 S 8.68 4.62 0.00 3.63 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.29 5.51 0.00 3.32 3.18 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 0.00 0.00 0.00 0.00 27 L 8.65 4.99 0.00 1.74 1.58 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.18 4.73 0.00 1.95 1.94 0.00 3.10 0.00 0.00 3.91 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 29 G 9.50 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.86 3.91 0.00 2.17 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 2.58 0.00 31 K 8.74 4.61 0.00 1.64 1.99 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.42 7.81 32 I 8.89 4.16 1.63 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.00 0.62 0.00 0.00 33 L 8.36 4.73 0.00 1.68 1.52 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 34 I 9.52 4.48 1.66 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 1.20 0.54 0.65 0.00 0.00 35 L 8.33 4.03 0.00 1.88 2.00 0.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.96 4.60 0.00 1.90 1.71 0.00 3.07 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 37 Q 8.62 3.76 0.00 1.87 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.34 5.33 0.00 0.00 0.00 0.00 0.00 1.16 1.75 0.00 38 T 7.68 3.61 4.49 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 0.00 0.00 0.00 1.34 0.00 0.00 39 T 7.99 4.77 4.48 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 1.34 0.00 0.00 40 A 8.69 4.90 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.36 4.74 0.00 2.79 2.77 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 42 W 8.32 5.12 0.00 3.39 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 43 W 10.23 5.66 0.00 3.14 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 44 W 9.86 4.62 0.00 2.91 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.92 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.13 4.68 0.00 1.81 1.73 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 2.14 2.45 0.00 47 R 8.23 4.27 0.00 1.82 1.87 0.00 3.39 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 48 A 8.49 3.84 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 49 G 8.77 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 0.00 0.00 0.00 0.00 50 C 7.64 4.85 0.00 2.98 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 51 C 8.28 4.40 0.00 3.11 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 52 G 7.59 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 0.00 0.00 0.00 0.00 53 Y 9.07 5.05 0.00 3.27 3.23 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 54 I 9.70 5.23 1.92 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 1.39 1.12 1.14 0.00 0.00 55 P 0.00 4.16 0.00 1.51 1.13 0.00 3.49 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.08 0.00 56 A 7.58 3.35 0.23 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 57 N 7.32 4.40 0.00 2.53 2.53 0.00 0.00 6.93 7.78 0.00 0.00 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 H 7.35 4.23 0.00 3.15 3.50 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 6.61 4.65 2.10 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 0.31 0.00 0.00 0.61 0.00 0.00 60 G 8.74 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.80 3.72 0.00 1.83 1.75 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.48 7.81 62 H 8.06 4.69 0.00 3.01 3.03 0.00 5.93 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.13 4.72 0.00 3.77 3.70 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 64 G 7.66 4.07 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 0.00 0.00 0.00 65 P 0.00 4.34 0.00 2.18 2.05 0.00 3.90 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 1.97 1.94 0.00 66 S 8.41 3.57 0.00 4.11 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 0.00 67 S 8.10 4.53 0.00 3.96 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.27 4.01 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 0.00 0.00 0.00