NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.3197 8.3444 119.6902 55.7273 30.4822 173.8549 5 V 4.2452 8.0915 121.7340 60.6175 33.7023 173.5470 6 L 4.4094 8.7223 129.6829 53.2668 41.1153 174.0905 7 A 4.7370 7.9127 124.4073 53.2936 26.3000 178.3254 8 R 4.0562 8.0698 115.8112 59.2832 30.5891 178.3245 9 K 3.7410 7.8942 118.2419 59.0521 32.2357 177.9108 *2010 W 4.9775 7.7566 115.9415 56.2953 30.4602 175.0780 2011 R 3.9875 8.0914 118.9304 55.5734 29.6449 175.0613 2012 P 4.3164 0.0000 0.0000 63.3963 31.5624 176.1704 2013 Q 4.3557 8.6288 118.8208 56.3831 30.2192 175.2997 2014 T 4.4260 7.6945 113.3872 61.3313 72.8935 174.9260 2015 F 4.3705 8.0214 120.8013 60.2997 39.2621 177.7749 2016 A 4.0785 8.2399 123.1775 54.5817 18.1477 177.6861 2017 D 4.9262 7.7818 112.7599 53.1005 39.7104 176.6343 2018 V 4.0722 7.5883 119.0293 62.6299 32.5364 175.1693 2019 V 4.2665 8.0300 123.1537 62.0096 33.3448 176.1818 2020 G 3.9344 8.8645 114.0521 46.2863 0.0000 173.5016 2021 Q 4.3642 8.4878 117.8996 56.9119 28.6893 179.9624 2022 E 3.3525 6.8485 116.3451 58.4756 31.1885 178.8876 2023 H 4.1158 7.7551 113.8838 59.0161 27.8834 178.0219 2024 V 3.6816 7.6126 119.7612 65.4276 31.1565 177.2760 2025 L 4.2981 7.5357 117.7522 56.4848 42.0960 178.7635 2026 T 3.9342 7.8582 115.5001 66.0290 68.3339 176.1605 2027 A 4.1465 7.8691 121.9936 53.9706 18.9518 178.9364 2028 L 4.0043 7.1024 117.2234 56.8538 42.0051 179.1214 2029 A 3.9114 8.2110 121.3283 55.0971 18.2989 179.4634 2030 N 4.4593 7.9911 115.1541 56.0917 38.7210 177.9621 2031 G 3.6570 7.8426 106.7809 47.8620 0.0000 175.8380 2032 L 4.0682 7.8652 120.5526 57.4416 41.7319 179.3499 2033 S 4.2923 7.8909 113.9108 61.9897 62.9583 176.7449 2034 L 4.2084 7.9171 120.2857 56.4334 41.4807 178.1481 2035 G 4.0541 7.7259 104.4531 45.3298 0.0000 174.6457 2036 R 4.1891 7.7620 119.1797 54.9107 28.8029 174.5540 2037 I 4.6184 7.8585 122.2252 59.5056 39.3392 175.9127 2038 H 4.4024 8.3985 122.6326 54.9151 29.5386 175.3126 2039 H 4.2895 8.2765 117.8607 58.9092 28.6585 176.3042 2040 A 4.5763 7.2918 119.1711 50.9533 21.9011 174.5463 2041 Y 4.2974 8.4925 119.8056 55.8123 40.0283 175.0879 2042 L 4.4068 8.1705 126.5495 53.2594 42.8233 175.1596 2043 F 4.7543 8.6079 125.7828 56.1872 40.0297 175.8345 2044 S 4.7611 8.4374 120.2945 55.6983 65.5407 172.4955 2045 G 4.1058 8.6794 106.1109 44.2895 0.0000 173.7889 2046 T 4.1795 8.3475 116.5994 62.5349 69.2609 174.4193 2047 R 4.0916 8.1711 119.7603 57.5012 30.2164 175.5305 2048 G 4.2100 9.1730 112.6200 46.5331 0.0000 174.9192 2049 V 3.7233 7.3579 119.7917 62.1271 32.2213 176.9296 2050 G 3.7056 8.9416 110.4988 47.2346 0.0000 175.8093 2051 K 3.8737 7.9722 118.3963 59.9664 31.8786 178.4783 2052 T 3.8754 7.7180 109.8959 64.6791 69.0923 176.6616 2053 S 4.0118 7.9199 115.5622 61.4743 62.3338 176.1384 2054 I 3.8484 7.9922 120.6261 63.5041 37.0067 178.1759 2055 A 3.9376 7.3044 122.3352 55.1688 18.2066 179.3504 2056 R 3.8472 7.9590 116.5152 59.8471 30.0516 179.1379 2057 L 3.7263 7.4727 116.7753 57.4482 41.6807 179.4041 2058 L 4.4083 8.0595 120.3438 58.2073 42.0953 178.7249 2059 A 4.0784 7.9814 120.1820 54.8692 18.4726 179.3484 2060 K 3.9690 8.4027 118.8262 59.2859 31.8265 178.5839 2061 G 3.8946 7.8883 104.1860 45.5924 0.0000 174.9170 2062 L 4.3603 7.4433 119.8512 57.1591 42.8275 178.1546 2063 N 4.4467 8.4584 115.2848 55.1989 39.1245 175.3009 2064 C 3.6666 7.2511 118.6501 59.1101 32.2269 174.6996 2065 E 4.1139 8.6994 125.1681 59.0800 29.3150 177.7090 2066 T 4.1812 7.7355 114.0249 63.3184 68.6249 173.7979 2067 G 3.7051 7.6580 107.4820 44.5415 0.0000 174.3153 2068 I 4.3765 7.7761 118.9627 59.6425 35.9065 176.5298 2069 T 4.2490 8.0542 120.6670 63.5289 69.2009 174.2715 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 4 Q 8.34 4.32 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 5 V 8.09 4.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 6 L 8.72 4.41 0.00 1.64 1.59 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.91 4.74 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 8 R 8.07 4.06 0.00 1.92 1.95 0.00 3.25 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 9 K 7.89 3.74 0.00 1.90 1.99 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.36 7.81 *2010 W 7.76 4.98 0.00 3.35 3.36 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 2011 R 8.09 3.99 0.00 1.79 1.89 0.00 3.16 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 1.69 1.83 0.00 2012 P 0.00 4.32 0.00 2.16 2.27 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 2013 Q 8.63 4.36 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.85 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 2014 T 7.69 4.43 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 1.10 0.00 0.00 2015 F 8.02 4.37 0.00 3.11 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 2016 A 8.24 4.08 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 2017 D 7.78 4.93 0.00 2.83 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 2018 V 7.59 4.07 2.25 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 0.78 0.00 0.00 1.05 0.00 0.00 2019 V 8.03 4.27 2.09 0.00 0.00 0.00 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 0.96 0.00 0.00 2020 G 8.86 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 2021 Q 8.49 4.36 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.30 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 2022 E 6.85 3.35 0.00 1.94 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 2.34 2.35 0.00 2023 H 7.76 4.12 0.00 3.19 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2024 V 7.61 3.68 2.21 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 1.15 0.00 0.00 0.98 0.00 0.00 2025 L 7.54 4.30 0.00 1.69 1.48 0.96 0.56 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 2026 T 7.86 3.93 4.36 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 1.21 0.00 0.00 2027 A 7.87 4.15 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 2028 L 7.10 4.00 0.00 1.35 1.29 0.93 0.20 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 2029 A 8.21 3.91 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 2030 N 7.99 4.46 0.00 2.85 2.88 0.00 0.00 6.90 7.38 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 2031 G 7.84 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2032 L 7.87 4.07 0.00 1.69 1.81 1.15 0.83 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 2033 S 7.89 4.29 0.00 4.02 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 2034 L 7.92 4.21 0.00 1.64 1.74 0.93 0.91 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 2035 G 7.73 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 2036 R 7.76 4.19 0.00 1.86 1.92 0.00 3.18 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 2037 I 7.86 4.62 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.58 1.13 0.00 0.00 2038 H 8.40 4.40 0.00 2.46 2.90 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2039 H 8.28 4.29 0.00 3.08 3.32 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2040 A 7.29 4.58 1.15 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 0.00 0.00 0.00 2041 Y 8.49 4.30 0.00 2.77 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 0.00 0.00 0.00 0.00 2042 L 8.17 4.41 0.00 1.49 1.48 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 2043 F 8.61 4.75 0.00 3.14 2.94 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 2044 S 8.44 4.76 0.00 3.99 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 2045 G 8.68 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2046 T 8.35 4.18 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 2047 R 8.17 4.09 0.00 1.90 1.94 0.00 3.06 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 2048 G 9.17 4.21 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 0.00 0.00 0.00 2049 V 7.36 3.72 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.00 0.00 0.00 2050 G 8.94 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 2051 K 7.97 3.87 0.00 1.78 1.78 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.22 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.53 7.81 2052 T 7.72 3.88 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 1.22 0.00 0.00 2053 S 7.92 4.01 0.00 3.88 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 2054 I 7.99 3.85 1.49 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 1.45 0.72 0.81 0.00 0.00 2055 A 7.30 3.94 1.35 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 0.00 0.00 0.00 2056 R 7.96 3.85 0.00 2.04 1.97 0.00 3.13 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 2057 L 7.47 3.73 0.00 1.59 0.98 0.77 1.24 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 2058 L 8.06 4.41 0.00 2.02 1.93 0.87 0.65 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 2059 A 7.98 4.08 1.38 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 0.00 0.00 0.00 2060 K 8.40 3.97 0.00 1.88 1.84 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.39 7.81 2061 G 7.89 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 2062 L 7.44 4.36 0.00 1.83 1.76 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 2063 N 8.46 4.45 0.00 2.68 2.89 0.00 0.00 7.06 8.25 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 2064 C 7.25 3.67 0.00 3.27 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 2065 E 8.70 4.11 0.00 1.99 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 2.31 2.32 0.00 2066 T 7.74 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 2067 G 7.66 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 2068 I 7.78 4.38 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 1.61 1.27 0.95 0.00 0.00 2069 T 8.05 4.25 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 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.