NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9343 8.3544 109.7350 45.5376 0.0000 172.2921 2 S 4.5927 8.1871 112.4897 56.0264 65.4551 171.5611 3 S 4.6340 8.5408 120.2733 57.0211 67.4598 173.6086 4 G 4.0140 8.4711 113.0740 43.8003 0.0000 171.6125 5 S 4.4862 8.5335 118.7044 56.5829 62.8861 174.2125 6 S 4.5118 8.4417 127.0444 57.4297 62.2287 173.3088 7 G 4.0500 7.6214 113.7255 45.3515 0.0000 173.3185 8 Y 4.8046 7.7144 115.3272 55.0203 41.4906 175.5438 9 S 4.2060 8.7664 118.0472 58.3284 62.8660 174.2283 10 V 4.4524 8.1918 125.8346 59.7610 32.5048 175.3189 11 K 4.8448 8.5101 123.0216 54.3296 35.8522 175.3879 12 W 4.8197 8.7674 120.5605 55.4620 31.7613 175.9102 13 T 4.7784 8.1988 108.8316 59.3025 72.2273 174.7524 14 I 3.6565 8.3574 123.9254 65.0085 37.2344 177.6832 15 E 3.9499 8.3531 119.1249 59.7004 29.2737 178.7837 16 E 3.9596 7.6659 117.9646 59.3082 29.4152 179.3588 17 K 4.0266 8.6081 119.2457 59.4663 32.1199 179.2298 18 E 4.0424 8.8453 118.2483 59.3325 29.5341 179.2767 19 L 3.9733 8.0042 119.9203 57.4528 41.6774 178.8573 20 F 4.1903 8.7624 121.0676 61.6568 39.1552 176.9404 21 E 3.9021 8.3545 117.6411 59.6423 29.3047 178.7851 22 Q 3.9766 8.1308 119.4088 59.7505 29.1162 179.6968 23 G 3.7107 8.2451 106.3203 47.5393 0.0000 175.0499 24 L 4.4680 8.2003 124.0666 57.3616 41.7389 179.1403 25 A 3.9954 8.0033 119.4782 55.2150 18.5862 179.0728 26 K 3.8136 7.8750 117.1532 59.7501 32.3182 178.7863 27 F 4.3917 8.4204 119.2302 60.2684 39.7612 175.7660 28 G 4.4733 8.5416 103.7992 44.7769 0.0000 174.3634 29 R 3.5622 8.1116 119.7631 56.3383 30.4530 176.4191 30 R 3.9279 7.3879 118.2380 55.0196 30.6805 177.5402 31 W 4.7518 8.2015 124.1972 59.8181 29.4042 178.4626 32 T 3.9308 8.1361 109.3384 65.1611 67.7953 176.1693 33 K 3.7312 7.8237 120.4558 59.1584 32.2549 178.6861 34 I 3.6809 7.4652 119.7977 64.8318 37.1415 178.2715 35 S 4.1750 8.6730 114.6909 61.8250 62.4530 177.0047 36 K 3.8949 7.3978 120.1547 59.0472 31.9291 178.4230 37 L 4.0380 7.6448 118.9558 58.7871 41.9687 178.8293 38 I 3.8186 7.5348 118.3881 63.4440 37.1891 176.7900 39 G 4.3308 8.1647 110.1926 45.9562 0.0000 174.8370 40 S 4.0159 7.8651 112.7747 60.9720 62.4265 174.5807 41 R 4.1608 7.3319 116.8825 55.4268 31.1937 175.8027 42 T 4.7360 7.6949 107.8147 59.4715 72.9833 175.0026 43 V 3.6196 8.2654 121.8004 67.0114 31.7641 177.6832 44 L 4.0637 8.2117 118.3803 56.9511 41.3786 178.9468 45 Q 4.0906 8.1236 116.6387 59.4833 29.0441 180.2737 46 V 3.9304 8.3295 119.0119 66.1122 31.4494 177.7269 47 K 2.7322 7.9347 117.1227 59.8297 32.1724 178.8925 48 S 4.0796 8.0367 114.8376 61.4492 62.8013 175.9182 49 Y 3.6568 8.1944 121.7181 60.8591 38.1323 178.4690 50 A 3.8218 8.0114 122.1629 55.3758 18.4388 179.7741 51 R 4.2795 8.2546 114.4927 59.0083 29.3831 178.6874 52 Q 3.7643 7.4850 120.0818 58.9114 29.0173 177.1062 53 Y 3.7063 7.4313 120.8678 60.4492 38.7962 177.8470 54 F 3.7615 7.0039 118.5482 60.6364 38.9154 177.5180 55 K 3.8367 7.6209 117.4346 59.7542 31.9385 177.6408 56 N 4.3483 7.5466 114.5541 56.8264 39.0547 176.8270 57 K 4.1210 7.0065 118.9250 57.7908 32.2980 176.8996 58 V 4.2567 6.8147 117.3378 59.2343 32.7608 175.6203 59 K 3.8506 8.7033 124.1721 56.0019 32.6625 175.8372 60 C 3.7129 8.5332 115.1610 58.8062 30.1860 172.0926 61 G 4.0079 8.4279 109.5798 45.8178 0.0000 173.9798 62 L 3.9408 8.8440 120.1996 57.6909 42.7459 178.5602 63 D 4.4099 8.2530 116.6403 56.1917 40.8744 177.2937 64 K 3.8271 7.8922 115.7096 57.6778 29.9704 175.0098 65 E 4.6190 8.1916 117.6570 54.4359 32.1395 174.3285 66 T 4.6329 8.2022 120.0112 59.4501 69.7546 172.0411 67 P 4.4429 0.0000 0.0000 63.7561 31.3858 176.0516 68 N 4.5852 8.0392 117.5778 53.7431 39.0214 173.2902 69 Q 4.4190 7.8375 116.4931 55.1501 30.7614 173.4004 70 K 3.9409 8.6110 117.7715 57.2320 32.3497 176.9229 71 T 4.0595 8.1851 114.5743 61.7997 69.7768 174.8077 72 G 3.8165 8.8729 110.9020 45.8392 0.0000 173.8556 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 3.93 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 0.00 0.00 0.00 2 S 8.19 4.59 0.00 3.86 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 4.63 0.00 3.82 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 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 5 S 8.53 4.49 0.00 3.78 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 6 S 8.44 4.51 0.00 3.87 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 7 G 7.62 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 8 Y 7.71 4.80 0.00 3.07 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 9 S 8.77 4.21 0.00 3.95 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 10 V 8.19 4.45 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.09 0.00 0.00 11 K 8.51 4.84 0.00 1.78 1.79 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.42 7.81 12 W 8.77 4.82 0.00 3.13 3.05 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 13 T 8.20 4.78 4.25 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 1.21 0.00 0.00 14 I 8.36 3.66 1.90 0.00 0.00 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 1.56 0.55 0.94 0.00 0.00 15 E 8.35 3.95 0.00 2.07 1.96 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 2.37 2.49 0.00 16 E 7.67 3.96 0.00 2.08 1.86 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 2.06 2.20 0.00 17 K 8.61 4.03 0.00 1.97 1.88 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.53 7.81 18 E 8.85 4.04 0.00 2.17 2.24 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 2.55 2.45 0.00 19 L 8.00 3.97 0.00 1.99 1.83 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.76 4.19 0.00 3.25 3.34 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 21 E 8.35 3.90 0.00 2.23 2.03 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 2.39 2.47 0.00 22 Q 8.13 3.98 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 23 G 8.25 3.71 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 0.00 0.00 0.00 24 L 8.20 4.47 0.00 1.30 1.64 1.05 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.00 4.00 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 26 K 7.88 3.81 0.00 1.66 1.29 0.00 1.46 0.00 0.00 0.69 0.00 0.00 2.77 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.03 1.23 7.81 27 F 8.42 4.39 0.00 3.13 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 28 G 8.54 4.47 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 0.00 29 R 8.11 3.56 0.00 1.59 1.50 0.00 3.50 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 30 R 7.39 3.93 0.00 1.74 1.71 0.00 3.28 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 31 W 8.20 4.75 0.00 3.43 3.21 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 0.00 32 T 8.14 3.93 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 1.27 0.00 0.00 33 K 7.82 3.73 0.00 1.46 0.90 0.00 1.47 0.00 0.00 0.71 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.17 1.30 7.81 34 I 7.47 3.68 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.00 1.10 0.00 0.00 35 S 8.67 4.17 0.00 4.06 4.34 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 36 K 7.40 3.89 0.00 1.99 1.87 0.00 1.73 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.54 7.81 37 L 7.64 4.04 0.00 1.67 1.99 1.06 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.53 3.82 1.82 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.72 0.80 0.00 0.00 39 G 8.16 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 0.00 0.00 0.00 0.00 40 S 7.87 4.02 0.00 3.71 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.33 4.16 0.00 1.57 1.64 0.00 2.21 0.00 0.00 2.64 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 42 T 7.69 4.74 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 1.20 0.00 0.00 43 V 8.27 3.62 2.15 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 1.25 0.00 0.00 1.00 0.00 0.00 44 L 8.21 4.06 0.00 1.78 1.65 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.12 4.09 0.00 2.48 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 46 V 8.33 3.93 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 1.26 0.00 0.00 47 K 7.93 2.73 0.00 1.90 1.70 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.48 7.81 48 S 8.04 4.08 0.00 3.87 3.83 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 0.00 0.00 0.00 49 Y 8.19 3.66 0.00 2.24 2.65 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 50 A 8.01 3.82 1.02 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 51 R 8.25 4.28 0.00 2.03 2.20 0.00 2.73 0.00 0.00 3.06 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 0.00 52 Q 7.48 3.76 0.00 1.85 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 53 Y 7.43 3.71 0.00 1.47 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 0.00 0.00 0.00 0.00 54 F 7.00 3.76 0.00 3.08 2.93 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 55 K 7.62 3.84 0.00 1.91 1.90 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.45 7.81 56 N 7.55 4.35 0.00 2.68 2.76 0.00 0.00 7.23 6.54 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 57 K 7.01 4.12 0.00 1.81 1.75 0.00 0.71 0.00 0.00 1.41 0.00 0.00 3.19 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.13 0.51 7.81 58 V 6.81 4.26 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 0.77 0.00 0.00 0.91 0.00 0.00 59 K 8.70 3.85 0.00 1.74 1.81 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 60 C 8.53 3.71 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 61 G 8.43 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 62 L 8.84 3.94 0.00 1.60 1.76 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.25 4.41 0.00 2.64 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 64 K 7.89 3.83 0.00 1.90 1.88 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.60 1.49 7.81 65 E 8.19 4.62 0.00 1.84 1.77 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 2.15 2.29 0.00 66 T 8.20 4.63 4.23 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 1.20 0.00 0.00 67 P 0.00 4.44 0.00 2.21 2.14 0.00 3.81 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 1.98 1.97 0.00 68 N 8.04 4.59 0.00 2.72 2.80 0.00 0.00 6.74 7.85 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 69 Q 7.84 4.42 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.99 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 70 K 8.61 3.94 0.00 1.88 1.90 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.43 7.81 71 T 8.19 4.06 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 72 G 8.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00