NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3467 8.2644 123.5835 52.0632 19.7655 175.7452 3 E 4.5165 8.2207 120.4576 53.7485 33.3172 172.7085 4 I 4.2133 9.4358 129.2657 61.8520 38.1390 175.1302 5 K 4.4830 9.0321 127.1299 54.8492 35.4276 174.8774 6 H 4.5203 8.2042 121.6390 54.6118 32.0371 172.2941 7 Y 5.2764 8.4134 123.8962 56.2110 41.0443 174.6303 8 Q 5.0800 8.5804 123.1682 54.3325 32.6878 174.0586 9 F 5.2228 9.3284 123.8398 55.7045 43.4426 173.7415 10 N 5.2370 9.4053 122.3376 52.6072 39.6578 173.6147 11 V 4.7248 8.5569 126.8146 61.0504 34.1918 175.9661 12 V 4.2645 8.8288 128.5014 61.7154 30.8542 174.2620 13 M 4.5307 8.4579 126.2145 53.6848 32.9531 176.3367 14 T 4.1792 8.4961 121.7519 65.4880 69.4537 174.7323 15 C 4.8520 7.4991 115.0457 55.8035 34.2813 174.4276 16 S 4.4296 8.0579 115.6286 59.9916 62.6104 176.4118 17 G 3.6237 8.0654 109.6833 48.0679 0.0000 174.9834 18 C 4.0739 8.1045 119.5385 62.6248 27.8747 176.4833 19 S 4.2606 8.2961 115.6635 61.3836 62.4726 176.6687 20 G 3.5859 8.3747 109.1250 47.2926 0.0000 175.6528 21 A 3.9825 8.1683 123.4269 54.9809 18.3713 179.9562 22 V 3.4837 7.6123 116.8891 65.9754 31.5503 177.6940 23 N 4.2584 8.3190 116.9980 56.5715 38.6783 176.5549 24 K 3.8616 8.2053 121.0284 59.5090 32.0463 178.7355 25 V 3.5391 7.2499 116.8965 66.1865 31.8975 177.6773 26 L 4.1758 7.8585 118.8076 57.9996 41.5503 179.6717 27 T 4.0048 8.3847 109.9870 64.4897 68.4643 176.7611 28 K 4.0396 7.7283 120.5455 58.9381 32.3175 178.1040 29 L 4.4257 7.6743 117.0780 53.9499 41.9166 176.5099 30 E 4.7212 7.7184 119.2855 55.5625 29.8229 175.1808 31 P 4.6526 0.0000 0.0000 63.2284 32.3612 176.6376 32 D 4.4096 7.9611 120.0134 56.5661 41.2729 175.9398 33 V 4.5119 7.9739 120.5240 61.8664 31.8570 175.8902 34 S 4.7091 8.7838 122.0916 58.6989 64.6134 174.2723 35 K 4.6211 7.7980 120.8285 55.3840 35.5171 174.0768 36 I 5.0910 8.4473 126.8666 59.6144 40.5706 174.3274 37 D 4.7665 9.7117 126.3850 52.7736 43.7953 173.8522 38 I 4.9096 8.4603 126.6052 59.5414 39.8740 175.6125 39 S 4.4633 9.2670 121.5111 56.2405 63.7137 173.9640 40 L 3.9942 8.8229 129.7383 58.1635 42.0670 178.2407 41 E 4.0991 8.3061 116.4323 58.8535 29.4311 177.7621 42 K 4.3331 7.8999 114.9581 55.4726 32.9795 176.0462 43 Q 3.6022 8.1172 117.7040 57.3293 26.8302 172.8086 44 L 5.2067 7.7354 115.3266 52.9729 46.2012 176.5235 45 V 4.8495 8.8425 121.1440 61.5376 34.6870 173.7271 46 D 5.5598 9.7122 129.0536 52.7148 43.5535 175.8019 47 V 5.0165 9.0735 122.3820 61.4532 35.2278 173.4300 48 Y 4.9694 8.7074 125.2075 56.6270 40.4191 174.6978 49 T 5.0942 8.5144 115.9096 62.5218 71.3957 173.4075 50 T 4.6460 8.7293 115.1931 61.7208 69.6757 175.0930 51 L 4.2775 7.9018 122.7630 53.8150 42.6219 175.6973 52 P 4.6672 0.0000 0.0000 62.3677 33.3424 177.2098 53 Y 3.0667 8.4978 120.6906 60.9017 38.7053 178.3921 54 D 4.3436 8.1465 119.3148 56.9822 41.0322 178.3161 55 F 4.0508 8.1993 120.8064 61.3362 39.5333 176.9554 56 I 3.5461 7.7821 119.3712 64.2197 36.8904 177.7482 57 L 3.2760 7.4539 121.1028 58.3534 41.8217 178.8952 58 E 3.8089 7.9628 117.9638 59.3155 29.1362 179.5178 59 K 3.6654 7.3632 117.3315 59.4845 32.3562 179.1674 60 I 3.7048 7.4405 119.8566 64.2285 37.0046 178.5963 61 K 3.8966 8.1876 119.6454 59.1921 31.6155 178.7266 62 K 4.2260 7.5401 116.1526 57.6375 32.1602 178.6125 63 T 4.0176 7.6212 110.4200 62.8282 68.9115 175.6149 64 G 3.9231 7.8533 109.6347 45.1292 0.0000 173.9002 65 K 4.1922 7.6377 118.9741 55.8429 33.0898 175.9391 66 E 4.2529 8.5180 122.9455 55.6553 31.1783 175.1571 67 V 4.5846 8.2258 127.0842 61.5908 31.7351 175.4268 68 R 4.2887 9.0179 129.2977 59.2289 30.7156 176.9390 69 S 4.6744 8.0201 110.9950 58.2557 65.7879 175.1223 70 G 5.1704 8.8787 105.9670 45.6896 0.0000 172.3377 71 K 4.6053 8.8700 120.4187 55.1842 36.6334 174.4530 72 Q 5.0361 8.3598 122.3762 54.9347 30.5051 175.2805 73 L 4.2975 8.6313 125.5097 54.8788 41.4548 176.4752 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 2 A 8.26 4.35 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 3 E 8.22 4.52 0.00 2.09 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 4 I 9.44 4.21 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 1.37 0.67 0.99 0.00 0.00 5 K 9.03 4.48 0.00 1.32 1.37 0.00 1.82 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.33 7.81 6 H 8.20 4.52 0.00 2.81 2.90 0.00 5.64 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.41 5.28 0.00 2.86 2.33 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 8 Q 8.58 5.08 0.00 2.13 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 9 F 9.33 5.22 0.00 2.96 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 10 N 9.41 5.24 0.00 2.81 2.77 0.00 0.00 6.53 7.27 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 11 V 8.56 4.72 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 0.81 0.00 0.00 0.97 0.00 0.00 12 V 8.83 4.26 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 1.11 0.00 0.00 1.03 0.00 0.00 13 M 8.46 4.53 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 14 T 8.50 4.18 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 15 C 7.50 4.85 0.00 3.08 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 16 S 8.06 4.43 0.00 4.07 4.16 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 17 G 8.07 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.10 4.07 0.00 3.11 2.99 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 19 S 8.30 4.26 0.00 4.06 4.13 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 20 G 8.37 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 21 A 8.17 3.98 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 22 V 7.61 3.48 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 0.95 0.00 0.00 0.89 0.00 0.00 23 N 8.32 4.26 0.00 2.88 2.96 0.00 0.00 6.87 6.45 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 24 K 8.21 3.86 0.00 2.06 1.78 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.45 7.81 25 V 7.25 3.54 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 0.81 0.00 0.00 0.94 0.00 0.00 26 L 7.86 4.18 0.00 1.78 1.74 0.96 0.67 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 27 T 8.38 4.00 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 1.26 0.00 0.00 28 K 7.73 4.04 0.00 1.93 1.94 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.71 7.81 29 L 7.67 4.43 0.00 1.97 1.78 1.05 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.72 4.72 0.00 2.02 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 2.61 2.38 0.00 31 P 0.00 4.65 0.00 2.18 2.16 0.00 3.78 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 1.96 1.98 0.00 32 D 7.96 4.41 0.00 2.87 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 33 V 7.97 4.51 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 1.08 0.00 0.00 1.04 0.00 0.00 34 S 8.78 4.71 0.00 3.89 3.97 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 35 K 7.80 4.62 0.00 1.68 1.52 0.00 1.40 0.00 0.00 1.13 0.00 0.00 2.53 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.34 1.39 7.81 36 I 8.45 5.09 1.92 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 1.31 0.87 0.97 0.00 0.00 37 D 9.71 4.77 0.00 2.80 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.46 4.91 1.90 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 1.28 0.82 0.99 0.00 0.00 39 S 9.27 4.46 0.00 3.83 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.82 3.99 0.00 1.63 1.71 0.97 1.01 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 41 E 8.31 4.10 0.00 2.01 2.01 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 2.33 2.29 0.00 42 K 7.90 4.33 0.00 1.80 1.86 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.40 7.81 43 Q 8.12 3.60 0.00 2.28 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 44 L 7.74 5.21 0.00 1.60 1.57 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.84 4.85 2.29 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 1.16 0.00 0.00 0.98 0.00 0.00 46 D 9.71 5.56 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 47 V 9.07 5.02 2.35 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 1.15 0.00 0.00 1.22 0.00 0.00 48 Y 8.71 4.97 0.00 2.96 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.51 5.09 4.35 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 1.39 0.00 0.00 50 T 8.73 4.65 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 1.23 0.00 0.00 51 L 7.90 4.28 0.00 1.88 1.74 1.07 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.67 0.00 2.27 2.05 0.00 3.61 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 53 Y 8.50 3.07 0.00 2.57 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 54 D 8.15 4.34 0.00 2.82 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 55 F 8.20 4.05 0.00 3.14 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 56 I 7.78 3.55 1.86 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.39 0.86 0.00 0.00 57 L 7.45 3.28 0.00 1.30 1.60 0.87 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.96 3.81 0.00 1.78 1.81 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 2.41 2.43 0.00 59 K 7.36 3.67 0.00 1.58 1.65 0.00 1.26 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.63 0.93 7.81 60 I 7.44 3.70 1.54 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.41 0.71 0.00 0.00 61 K 8.19 3.90 0.00 1.63 1.78 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.36 7.81 62 K 7.54 4.23 0.00 1.65 1.78 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.46 7.81 63 T 7.62 4.02 4.19 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 1.19 0.00 0.00 64 G 7.85 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 0.00 0.00 0.00 65 K 7.64 4.19 0.00 1.72 1.86 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.49 7.81 66 E 8.52 4.25 0.00 2.04 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 67 V 8.23 4.58 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 0.95 0.00 0.00 0.80 0.00 0.00 68 R 9.02 4.29 0.00 1.88 2.00 0.00 3.46 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 69 S 8.02 4.67 0.00 3.86 3.95 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 0.00 0.00 0.00 0.00 70 G 8.88 5.17 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 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.87 4.61 0.00 1.66 1.76 0.00 1.24 0.00 0.00 1.52 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.21 1.27 7.81 72 Q 8.36 5.04 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 73 L 8.63 4.30 0.00 1.27 1.49 0.56 0.79 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