NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1410 8.3101 121.7873 56.4388 34.0585 175.3903 20 A 4.1999 7.2584 114.8562 49.9247 19.7046 173.1327 21 K 4.3936 8.0493 120.9419 56.2754 34.9471 176.2596 22 V 3.5543 8.0570 122.6856 65.3255 31.2073 178.1755 23 K 4.1478 7.5986 118.7115 59.5773 32.1410 178.3035 24 A 4.1975 7.8825 119.2384 55.3417 18.5670 179.1802 25 T 3.8836 7.4551 112.2387 64.9058 68.8405 174.5978 26 L 4.7376 6.8903 119.1184 52.5525 44.2413 178.2570 27 G 4.0543 8.3939 115.7440 45.2223 0.0000 172.8715 28 E 4.1289 8.8265 125.0665 55.9778 30.2486 176.6347 29 F 4.8190 7.8338 119.5799 55.5138 40.4027 173.6521 30 D 4.3936 8.7338 123.5283 53.7536 40.0994 176.2999 31 L 4.4319 8.1544 126.2662 56.6228 40.9235 177.6453 32 R 4.1954 8.1229 119.3455 57.2251 30.5826 175.8331 33 D 4.3655 7.4489 116.6718 54.1069 41.8192 175.2269 34 Y 4.7448 7.2831 119.6796 56.8406 38.6882 176.1686 35 R 4.5586 7.7854 118.1776 56.4094 32.5312 176.3256 36 N 4.7631 7.7912 117.6762 51.8173 35.9956 176.1098 37 V 3.6629 7.7064 115.0727 65.1784 31.8737 177.9306 38 E 3.8938 8.0887 117.7389 59.2449 29.8130 178.6180 39 V 3.6304 7.6861 117.5107 66.2021 31.8111 177.9034 40 L 4.2980 7.8995 118.0375 57.5730 40.9397 179.4631 41 K 4.0728 8.3554 119.8188 59.2710 31.8714 178.8968 42 R 3.9280 7.8442 117.3925 58.2857 30.0125 178.1276 43 F 4.4723 8.0225 117.5697 59.2818 38.8663 177.1593 44 L 4.6844 7.7678 116.4060 53.4030 41.8514 177.9902 45 S 3.8321 7.4645 113.6049 59.6830 63.4726 172.7124 46 E 4.8285 8.1352 112.2044 55.8641 29.5916 176.5938 47 T 4.5667 7.7887 105.4349 61.1348 72.1264 175.1793 48 G 4.0159 7.9372 110.3780 45.2317 0.0000 174.3050 49 K 3.9754 7.4293 118.9915 56.1986 32.3873 176.4851 50 I 3.9665 8.2183 124.2882 60.8103 36.0835 175.5071 51 L 3.9093 8.5180 125.0308 54.3301 41.9909 176.0814 52 P 4.4941 0.0000 0.0000 62.4671 31.6606 176.9323 53 R 4.1842 8.4101 117.2556 58.5203 30.1114 177.1843 54 R 4.5344 7.8708 115.5021 56.7946 30.0832 176.5869 55 R 4.5356 7.8606 116.8800 58.1397 33.6993 177.7165 56 T 3.9481 7.9350 108.2048 62.6732 69.1344 174.6486 57 G 3.6492 7.6598 108.6970 46.6976 0.0000 173.0294 58 L 4.7487 7.6916 117.2676 52.5207 44.4919 177.0594 59 S 4.4177 8.5599 114.5364 57.5205 64.2326 174.8823 60 A 3.9714 8.3949 125.6401 55.2708 17.7682 179.8764 61 K 3.9104 7.9984 117.4814 59.4741 32.3552 178.7712 62 E 3.8363 7.9527 118.7146 59.2310 29.5633 178.7127 63 Q 3.9783 8.5227 120.1011 59.1289 28.9935 178.4249 64 R 3.8609 7.7868 119.5148 59.3134 30.3620 179.1198 65 I 3.6648 7.3597 112.4156 64.1001 37.3336 177.3410 66 L 3.8186 7.8993 122.1730 57.9476 41.8219 178.6359 67 A 3.9271 8.2189 120.7976 54.8744 18.2090 179.1761 68 K 3.8057 8.2160 119.0089 60.2405 32.2852 179.0918 69 T 3.9645 7.9705 109.4327 64.5329 68.6471 176.3471 70 I 3.6265 7.7419 122.9321 64.3957 37.1800 178.2467 71 K 3.7686 8.2372 119.3337 59.4683 31.8878 179.3371 72 R 3.7889 7.6962 118.0465 59.4168 29.8596 178.8421 73 A 4.0133 8.0535 120.1283 55.4139 18.1741 179.8449 74 R 4.6706 7.6179 116.6372 58.8489 30.0601 179.1468 75 I 4.1397 7.6793 119.8222 64.2318 36.9746 177.7112 76 L 4.3467 7.6208 115.9653 55.0909 41.3663 178.2677 77 G 4.0555 7.8518 108.4868 45.4998 0.0000 174.6264 78 L 3.8773 6.6968 118.8430 58.0578 42.3205 177.2733 79 L 4.1400 7.6752 118.2000 54.2356 42.7815 175.6504 80 P 4.8546 0.0000 0.0000 62.6930 32.1662 176.2039 81 F 4.3326 8.6465 117.5094 59.7963 39.8957 176.8035 82 T 4.6591 7.3532 112.4581 62.5706 71.9997 172.9217 83 E 4.8474 8.4504 121.6168 53.9556 32.6853 175.7991 84 K 4.0048 8.7695 120.6030 56.5609 32.9708 176.5107 85 L 3.9447 8.4809 126.0027 54.9338 42.1928 177.1855 86 V 3.8177 8.2244 119.6178 60.4871 32.2713 175.5646 87 R 3.7774 8.5024 120.2320 57.0796 29.9536 176.0260 88 K 4.1704 8.6272 122.9865 57.1630 32.8827 176.6022 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 19 K 8.31 4.14 0.00 1.71 1.90 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.49 7.81 20 A 7.26 4.20 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 21 K 8.05 4.39 0.00 1.78 1.75 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.44 7.81 22 V 8.06 3.55 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 -0.02 0.00 0.00 0.78 0.00 0.00 23 K 7.60 4.15 0.00 2.00 1.89 0.00 1.89 0.00 0.00 1.81 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.58 7.81 24 A 7.88 4.20 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 25 T 7.46 3.88 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 1.13 0.00 0.00 26 L 6.89 4.74 0.00 1.61 1.35 0.46 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.39 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 28 E 8.83 4.13 0.00 1.96 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 2.28 2.25 0.00 29 F 7.83 4.82 0.00 3.15 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 30 D 8.73 4.39 0.00 2.76 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 31 L 8.15 4.43 0.00 1.85 1.76 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.12 4.20 0.00 1.78 2.03 0.00 3.23 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 33 D 7.45 4.37 0.00 2.78 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.28 4.74 0.00 3.02 3.03 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 0.00 0.00 0.00 35 R 7.79 4.56 0.00 1.74 2.01 0.00 3.27 0.00 0.00 3.42 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 36 N 7.79 4.76 0.00 2.89 3.01 0.00 0.00 6.24 7.68 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 37 V 7.71 3.66 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 0.85 0.00 0.00 0.95 0.00 0.00 38 E 8.09 3.89 0.00 1.93 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 2.28 2.41 0.00 39 V 7.69 3.63 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 0.71 0.00 0.00 0.83 0.00 0.00 40 L 7.90 4.30 0.00 1.81 1.73 0.95 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.36 4.07 0.00 2.04 1.93 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.49 7.81 42 R 7.84 3.93 0.00 1.71 1.36 0.00 3.07 0.00 0.00 3.10 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 43 F 8.02 4.47 0.00 3.27 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 44 L 7.77 4.68 0.00 1.93 1.68 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.46 3.83 0.00 4.04 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 46 E 8.14 4.83 0.00 1.89 1.94 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 2.21 2.33 0.00 47 T 7.79 4.57 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 1.22 0.00 0.00 48 G 7.94 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 49 K 7.43 3.98 0.00 1.88 1.76 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.57 7.81 50 I 8.22 3.97 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 1.39 0.70 0.91 0.00 0.00 51 L 8.52 3.91 0.00 1.81 1.69 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.49 0.00 2.23 2.22 0.00 3.71 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 2.09 1.97 0.00 53 R 8.41 4.18 0.00 1.89 1.98 0.00 3.18 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 54 R 7.87 4.53 0.00 1.83 1.93 0.00 3.27 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 55 R 7.86 4.54 0.00 1.92 1.87 0.00 3.29 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 56 T 7.93 3.95 4.55 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 1.57 0.00 0.00 57 G 7.66 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 0.00 0.00 0.00 58 L 7.69 4.75 0.00 1.89 1.66 1.14 1.01 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 59 S 8.56 4.42 0.00 3.91 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 60 A 8.39 3.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 3.91 0.00 1.83 1.81 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.52 7.81 62 E 7.95 3.84 0.00 2.26 1.97 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 2.37 2.35 0.00 63 Q 8.52 3.98 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 64 R 7.79 3.86 0.00 1.83 1.94 0.00 3.18 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 65 I 7.36 3.66 1.85 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 1.64 0.60 0.90 0.00 0.00 66 L 7.90 3.82 0.00 1.79 1.73 0.26 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.22 3.93 1.30 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 0.00 0.00 0.00 68 K 8.22 3.81 0.00 2.03 1.97 0.00 1.52 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.51 7.81 69 T 7.97 3.96 4.43 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 1.36 0.00 0.00 70 I 7.74 3.63 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.76 0.83 0.00 0.00 71 K 8.24 3.77 0.00 1.87 1.82 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.66 7.81 72 R 7.70 3.79 0.00 2.00 1.77 0.00 3.20 0.00 0.00 2.98 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 73 A 8.05 4.01 1.45 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 0.00 0.00 74 R 7.62 4.67 0.00 1.52 1.11 0.00 2.89 0.00 0.00 2.68 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 75 I 7.68 4.14 2.06 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 1.66 1.02 0.93 0.00 0.00 76 L 7.62 4.35 0.00 1.75 1.71 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.85 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 78 L 6.70 3.88 0.00 1.66 1.63 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.68 4.14 0.00 1.74 1.52 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.85 0.00 2.07 2.05 0.00 3.66 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 2.04 2.13 0.00 81 F 8.65 4.33 0.00 2.97 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 82 T 7.35 4.66 4.31 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 1.25 0.00 0.00 83 E 8.45 4.85 0.00 1.97 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 2.10 2.26 0.00 84 K 8.77 4.00 0.00 1.67 1.81 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.41 7.81 85 L 8.48 3.94 0.00 1.59 1.60 0.93 0.98 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 86 V 8.22 3.82 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 0.73 0.00 0.00 0.93 0.00 0.00 87 R 8.50 3.78 0.00 1.76 1.89 0.00 3.39 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 88 K 8.63 4.17 0.00 1.90 1.77 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.43 7.81