#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c9f n ALA 3 N -0.17 -1.88 -2.71 0.00 0.00 -1.26 -4.90 120.51 109.58 1c9f n ALA 3 Ca 0.01 -0.33 -0.37 0.00 0.00 0.00 0.00 53.44 52.74 1c9f n ALA 3 Cb 0.59 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 1c9f n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1c9f s VAL 4 N -4.09 5.30 -0.08 0.00 0.11 -1.26 -5.08 120.40 115.30 1c9f s VAL 4 Ca 0.13 0.49 -0.02 0.00 -2.93 0.00 0.00 61.98 59.65 1c9f s VAL 4 Cb -0.07 -3.54 0.03 0.00 -1.53 0.00 0.00 36.38 31.27 1c9f s VAL 4 CO 0.97 0.60 0.03 -0.76 -3.33 0.00 0.00 175.10 172.60 1c9f s LEU 5 N -1.00 0.47 -0.74 2.54 1.43 -1.26 -5.03 118.68 115.09 1c9f s LEU 5 Ca 0.19 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1c9f s LEU 5 Cb -0.14 -0.34 0.40 0.00 0.03 0.00 0.00 46.19 46.14 1c9f s LEU 5 CO 0.08 -0.23 1.99 0.54 0.23 0.00 0.00 176.35 178.96 1c9f n ARG 6 N 5.20 2.76 0.00 1.70 5.12 -1.26 -4.84 116.66 125.34 1c9f n ARG 6 Ca -0.06 -3.45 0.00 0.00 -1.93 0.00 0.00 57.85 52.41 1c9f n ARG 6 Cb 0.50 -2.28 0.00 0.00 -1.16 0.00 0.00 32.46 29.52 1c9f n ARG 6 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1c9f n GLN 7 N -0.73 0.00 -2.33 5.56 10.64 -1.26 -5.13 117.38 124.13 1c9f n GLN 7 Ca 0.58 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 55.32 1c9f n GLN 7 Cb 0.47 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.82 1c9f n GLN 7 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1c9f s PRO 8 N 0.00 4.32 0.60 2.61 0.04 -1.26 -4.81 135.00 136.50 1c9f s PRO 8 Ca 0.00 1.83 -0.10 0.00 0.04 0.00 0.00 61.00 62.77 1c9f s PRO 8 Cb 0.00 -3.55 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 1c9f s PRO 8 CO 0.00 -0.50 0.99 0.15 0.04 0.00 0.00 177.00 177.68 1c9f s LYS 9 N 2.23 3.56 0.10 4.56 -0.14 -1.21 -4.78 119.74 124.05 1c9f s LYS 9 Ca 0.60 0.65 0.05 0.00 -1.36 0.00 0.00 55.97 55.91 1c9f s LYS 9 Cb -0.28 -2.12 -0.03 0.00 -1.68 0.00 0.00 37.83 33.71 1c9f s LYS 9 CO 0.25 -0.53 -0.13 0.00 -0.76 0.00 0.00 175.35 174.17 1c9f s VAL 11 N -1.86 -0.11 -1.07 0.00 -7.23 0.58 0.25 120.40 110.95 1c9f s VAL 11 Ca 0.04 0.28 -0.17 0.00 -1.81 0.00 0.00 61.98 60.32 1c9f s VAL 11 Cb -0.06 -0.18 0.13 0.00 0.56 0.00 0.00 36.38 36.83 1c9f s VAL 11 CO 0.02 0.12 1.32 -0.54 -0.31 0.00 0.00 175.10 175.71 1c9f s LYS 12 N 1.57 3.82 -1.21 4.82 -0.14 -0.63 -1.79 119.74 126.19 1c9f s LYS 12 Ca -0.04 -2.04 -0.21 0.00 -1.36 0.00 0.00 55.97 52.33 1c9f s LYS 12 Cb -0.12 -5.06 -0.01 0.00 -1.68 0.00 0.00 37.83 30.96 1c9f s LYS 12 CO -0.04 -1.85 1.82 -1.17 -0.76 0.00 0.00 175.35 173.35 1c9f s LEU 13 N 2.59 3.42 0.63 3.17 2.96 -0.93 -2.12 118.68 128.41 1c9f s LEU 13 Ca 0.39 -1.92 -0.11 0.00 -0.22 0.00 0.00 54.13 52.27 1c9f s LEU 13 Cb -0.03 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.05 1c9f s LEU 13 CO -0.04 -2.14 1.04 -0.60 -1.32 0.00 0.00 176.35 173.28 1c9f s ARG 14 N 5.45 3.49 -0.06 1.98 6.06 0.20 -0.15 118.95 135.91 1c9f s ARG 14 Ca 0.61 0.73 -0.00 0.00 -2.50 0.00 0.00 55.73 54.57 1c9f s ARG 14 Cb 0.01 -2.07 0.03 0.00 0.06 0.00 0.00 34.95 32.98 1c9f s ARG 14 CO 0.09 -0.65 -0.02 0.00 -2.50 0.00 0.00 175.30 172.22 1c9f s ALA 15 N -3.19 0.68 -0.17 6.12 0.00 -1.05 -0.32 121.76 123.84 1c9f s ALA 15 Ca 0.55 -0.09 0.26 0.00 0.00 0.00 0.00 51.96 52.68 1c9f s ALA 15 Cb -0.11 -0.60 0.73 0.00 0.00 0.00 0.00 23.12 23.14 1c9f s ALA 15 CO 0.54 -0.27 1.75 -0.07 0.00 0.00 0.00 175.76 177.71 1c9f h LEU 16 N 7.82 0.00 0.00 0.00 3.38 -1.85 -2.83 115.31 121.83 1c9f h LEU 16 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1c9f h LEU 16 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1c9f h LEU 16 CO 0.36 0.07 0.00 1.57 0.09 0.00 0.00 178.44 180.53 1c9f n HIS 17 N -3.14 0.00 -4.12 1.13 -0.00 -1.26 -4.83 115.22 102.99 1c9f n HIS 17 Ca 0.02 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.10 1c9f n HIS 17 Cb 0.46 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.29 1c9f n HIS 17 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1c9f n SER 18 N -0.86 -0.40 -1.61 0.26 7.64 -1.07 -5.06 113.62 112.53 1c9f n SER 18 Ca 0.17 -2.14 -0.15 0.00 1.01 0.00 0.00 58.87 57.76 1c9f n SER 18 Cb 0.08 0.92 0.15 0.00 -1.01 0.00 0.00 64.21 64.34 1c9f n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1c9f n ALA 19 N -1.80 4.91 -3.00 -0.43 0.00 -1.26 -4.87 120.51 114.06 1c9f n ALA 19 Ca -0.06 -3.31 0.00 0.00 0.00 0.00 0.00 53.44 50.07 1c9f n ALA 19 Cb 0.32 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1c9f n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c9f n LYS 21 N 0.00 0.00 -3.20 0.00 0.00 -1.26 -2.53 118.16 111.17 1c9f n LYS 21 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.10 1c9f n LYS 21 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 34.96 1c9f n LYS 21 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1c9f n PHE 22 N 0.00 -1.45 -1.98 5.58 7.35 0.79 -4.88 117.46 122.87 1c9f n PHE 22 Ca 0.00 -2.94 -0.28 0.00 -0.76 0.00 0.00 57.45 53.47 1c9f n PHE 22 Cb 0.00 0.42 -0.05 0.00 0.35 0.00 0.00 39.48 40.20 1c9f n PHE 22 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1c9f s GLY 23 N -0.20 0.06 0.14 7.13 0.00 -1.26 -2.19 107.32 111.00 1c9f s GLY 23 Ca 0.33 -1.20 0.10 0.00 0.00 0.00 0.00 44.72 43.95 1c9f s GLY 23 CO -0.16 3.57 -0.18 0.54 0.00 0.00 0.00 173.10 176.87 1c9f s VAL 24 N 10.43 2.76 0.37 1.40 0.11 -0.74 -4.93 120.40 129.81 1c9f s VAL 24 Ca 0.73 -1.65 0.04 0.00 -2.93 0.00 0.00 61.98 58.16 1c9f s VAL 24 Cb -0.09 -2.29 -0.04 0.00 -1.53 0.00 0.00 36.38 32.42 1c9f s VAL 24 CO 0.06 0.02 0.08 0.00 -3.33 0.00 0.00 175.10 171.93 1c9f s ALA 25 N -1.33 2.71 0.00 1.54 0.00 -1.26 -0.31 121.76 123.11 1c9f s ALA 25 Ca 0.19 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.54 1c9f s ALA 25 Cb -0.10 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.67 1c9f s ALA 25 CO 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 175.76 175.57 1c9f n ALA 26 N -0.82 0.00 -0.29 0.00 0.00 -0.07 -4.80 120.51 114.54 1c9f n ALA 26 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 1c9f n ALA 26 Cb 0.66 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.09 1c9f n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c9f h ARG 27 N 0.00 -0.12 -6.14 0.00 2.47 -1.87 -3.21 114.38 105.51 1c9f h ARG 27 Ca 0.00 0.01 -0.57 0.00 -1.26 0.00 0.00 59.98 58.16 1c9f h ARG 27 Cb 0.00 0.03 -0.10 0.00 -1.65 0.00 0.00 29.97 28.25 1c9f h ARG 27 CO 0.00 -0.08 1.06 -1.54 0.56 0.00 0.00 179.97 179.98 1c9f s SER 28 N -5.27 6.24 0.54 7.04 1.04 -1.26 -4.36 113.70 117.68 1c9f s SER 28 Ca -0.14 -0.76 0.46 0.00 0.48 0.00 0.00 55.95 55.99 1c9f s SER 28 Cb 0.15 -2.54 1.68 0.00 0.10 0.00 0.00 66.02 65.41 1c9f s SER 28 CO 0.68 -1.70 1.62 0.00 0.98 0.00 0.00 173.24 174.81 1c9f h GLN 30 N 0.01 0.44 -0.20 0.00 4.20 -1.89 -0.21 115.11 117.46 1c9f h GLN 30 Ca 0.87 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 59.51 1c9f h GLN 30 Cb 3.40 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 31.07 1c9f h GLN 30 CO -0.07 0.29 -0.03 0.93 -0.67 0.00 0.00 178.83 179.28 1c9f h GLU 31 N 0.45 0.37 -0.83 1.46 3.07 0.13 -2.48 114.58 116.75 1c9f h GLU 31 Ca 0.43 -0.14 0.11 0.00 -0.50 0.00 0.00 59.36 59.26 1c9f h GLU 31 Cb 0.98 -0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 28.79 1c9f h GLU 31 CO -0.16 0.61 0.46 -0.07 -1.40 0.00 0.00 179.01 178.46 1c9f h LEU 32 N 0.10 0.63 0.00 1.33 3.38 -1.12 0.98 115.31 120.61 1c9f h LEU 32 Ca 0.05 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1c9f h LEU 32 Cb 0.47 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1c9f h LEU 32 CO 0.02 0.34 0.00 0.18 0.09 0.00 0.00 178.44 179.07 1c9f n LEU 33 N -4.78 0.01 -0.13 1.67 4.77 -0.82 -0.87 117.00 116.85 1c9f n LEU 33 Ca 0.14 0.91 -0.14 0.00 -0.03 0.00 0.00 56.01 56.90 1c9f n LEU 33 Cb 0.32 -0.49 -0.09 0.00 -2.33 0.00 0.00 43.42 40.82 1c9f n LEU 33 CO 0.25 -0.49 0.51 -0.09 -1.33 0.00 0.00 177.39 176.24 1c9f h ARG 34 N 0.00 -0.39 -0.70 3.23 2.43 -1.37 1.23 114.38 118.82 1c9f h ARG 34 Ca 0.00 0.03 0.20 0.00 -0.81 0.00 0.00 59.98 59.40 1c9f h ARG 34 Cb 0.00 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1c9f h ARG 34 CO 0.00 -0.26 0.68 0.87 -1.51 0.00 0.00 179.97 179.75 1c9f h LYS 35 N -0.40 0.00 0.40 0.20 1.57 -0.87 0.18 116.57 117.65 1c9f h LYS 35 Ca 0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1c9f h LYS 35 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1c9f h LYS 35 CO -0.59 0.00 -0.19 0.78 -0.57 0.00 0.00 179.45 178.88 1c9f h GLY 36 N 0.00 -0.56 2.00 3.86 0.00 0.35 -1.55 103.07 107.18 1c9f h GLY 36 Ca 0.33 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1c9f h GLY 36 CO -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 176.54 176.33 1c9f n VAL 38 N -2.08 0.00 -0.41 0.00 0.31 -0.10 -0.16 118.33 115.89 1c9f n VAL 38 Ca 0.01 0.37 0.39 0.00 -0.01 0.00 0.00 64.34 65.09 1c9f n VAL 38 Cb 0.12 -1.17 0.76 0.00 -0.91 0.00 0.00 33.84 32.64 1c9f n VAL 38 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1c9f h ARG 39 N 0.00 0.00 0.00 5.55 2.47 -1.34 1.27 114.38 122.33 1c9f h ARG 39 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1c9f h ARG 39 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1c9f h ARG 39 CO 0.00 0.00 -1.50 1.19 0.56 0.00 0.00 179.97 180.22 1c9f n PHE 40 N -4.09 0.26 -2.88 3.04 3.01 -0.93 -5.04 117.46 110.83 1c9f n PHE 40 Ca 0.30 0.07 -0.07 0.00 1.01 0.00 0.00 57.45 58.76 1c9f n PHE 40 Cb 1.43 -0.54 0.01 0.00 -0.01 0.00 0.00 39.48 40.37 1c9f n PHE 40 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1c9f n GLN 41 N -2.21 -2.64 -3.93 -1.08 6.02 0.44 -4.99 117.38 108.98 1c9f n GLN 41 Ca -0.01 2.24 -0.31 0.00 -0.01 0.00 0.00 57.00 58.91 1c9f n GLN 41 Cb 0.52 -4.99 -0.15 0.00 1.02 0.00 0.00 30.24 26.63 1c9f n GLN 41 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1c9f s LEU 42 N -2.14 3.74 0.00 1.08 1.98 -0.21 -4.99 118.68 118.15 1c9f s LEU 42 Ca 0.15 -1.87 0.00 0.00 -2.89 0.00 0.00 54.13 49.53 1c9f s LEU 42 Cb -0.04 -1.36 0.00 0.00 0.66 0.00 0.00 46.19 45.46 1c9f s LEU 42 CO 0.74 -0.37 0.00 -0.81 -1.89 0.00 0.00 176.35 174.02 1c9f n PRO 43 N 4.48 0.91 -2.19 0.98 -0.04 -1.26 -4.97 135.00 132.90 1c9f n PRO 43 Ca -0.00 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 1c9f n PRO 43 Cb 0.42 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.89 1c9f n PRO 43 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1c9f n MET 44 N -0.08 3.55 0.00 0.54 1.56 -1.26 -4.84 117.12 116.59 1c9f n MET 44 Ca 0.00 -4.30 0.00 0.00 -0.27 0.00 0.00 57.70 53.13 1c9f n MET 44 Cb 0.00 -2.27 0.00 0.00 2.15 0.00 0.00 33.22 33.10 1c9f n MET 44 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1c9f n PRO 45 N -0.62 0.00 -0.01 2.12 -0.04 -1.26 -4.89 135.00 130.30 1c9f n PRO 45 Ca 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 1c9f n PRO 45 Cb 0.85 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 34.20 1c9f n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1c9f n GLY 46 N 2.42 -2.71 0.00 0.55 0.00 -1.26 -5.09 105.19 99.10 1c9f n GLY 46 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1c9f n GLY 46 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1c9f n SER 47 N -0.02 0.00 0.00 1.61 7.64 -1.26 -3.62 113.62 117.97 1c9f n SER 47 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1c9f n SER 47 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1c9f n SER 47 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1c9f n ARG 48 N 0.00 0.00 -4.02 1.43 1.74 0.68 -4.73 116.66 111.76 1c9f n ARG 48 Ca 0.00 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 1c9f n ARG 48 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 1c9f n ARG 48 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1c9f s LEU 49 N 0.00 3.31 -0.27 0.55 1.43 -0.49 -0.81 118.68 122.40 1c9f s LEU 49 Ca 0.00 -0.75 -0.18 0.00 -1.03 0.00 0.00 54.13 52.16 1c9f s LEU 49 Cb 0.00 -1.81 0.07 0.00 0.03 0.00 0.00 46.19 44.48 1c9f s LEU 49 CO 0.00 -0.36 0.68 0.00 0.23 0.00 0.00 176.35 176.90 1c9f s LEU 51 N 1.20 4.40 0.00 0.00 1.02 0.70 -0.88 118.68 125.12 1c9f s LEU 51 Ca -0.07 2.55 0.16 0.00 0.02 0.00 0.00 54.13 56.79 1c9f s LEU 51 Cb -0.05 -3.54 0.77 0.00 0.02 0.00 0.00 46.19 43.39 1c9f s LEU 51 CO -0.13 -1.00 1.45 0.00 0.02 0.00 0.00 176.35 176.69 1c9f n TYR 52 N 7.10 0.00 0.11 0.29 9.36 -0.50 -1.57 117.16 131.95 1c9f n TYR 52 Ca 0.19 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.33 1c9f n TYR 52 Cb 0.41 -0.31 -0.04 0.00 -0.63 0.00 0.00 39.34 38.77 1c9f n TYR 52 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1c9f h GLU 53 N 0.00 -0.41 0.00 2.98 4.81 -1.88 -3.37 114.58 116.70 1c9f h GLU 53 Ca 0.00 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1c9f h GLU 53 Cb 0.16 0.09 -0.09 0.00 0.63 0.00 0.00 28.75 29.55 1c9f h GLU 53 CO 0.00 -0.27 -0.49 -3.47 -0.73 0.00 0.00 179.01 174.04 1c9f n ASP 54 N -3.73 1.11 0.00 1.04 -0.08 -1.24 -4.25 116.55 109.39 1c9f n ASP 54 Ca -0.05 -2.59 0.00 0.00 -1.51 0.00 0.00 54.79 50.64 1c9f n ASP 54 Cb 0.20 -0.34 0.00 0.00 2.34 0.00 0.00 41.12 43.33 1c9f n ASP 54 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1c9f n GLY 55 N -0.44 0.61 3.76 0.27 0.00 -0.94 -4.26 105.19 104.18 1c9f n GLY 55 Ca 0.09 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 1c9f n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c9f s THR 56 N -2.00 2.82 -0.06 2.61 -4.23 -0.61 -4.80 115.64 109.37 1c9f s THR 56 Ca 0.00 0.27 0.06 0.00 -1.18 0.00 0.00 61.69 60.83 1c9f s THR 56 Cb 0.00 -2.88 -0.01 0.00 1.34 0.00 0.00 72.50 70.94 1c9f s THR 56 CO 0.00 -0.35 -0.24 -1.61 -0.54 0.00 0.00 174.62 171.89 1c9f s GLU 57 N -5.05 2.58 0.32 3.99 2.02 -1.26 -0.21 118.70 121.08 1c9f s GLU 57 Ca 0.62 -0.88 -0.12 0.00 0.02 0.00 0.00 54.97 54.61 1c9f s GLU 57 Cb -0.16 -2.20 0.02 0.00 0.10 0.00 0.00 34.13 31.89 1c9f s GLU 57 CO 0.55 0.40 0.60 0.08 0.02 0.00 0.00 175.26 176.92 1c9f s VAL 58 N -0.20 0.00 0.34 2.63 1.01 0.39 -4.77 120.40 119.81 1c9f s VAL 58 Ca -0.02 -1.29 0.08 0.00 0.00 0.00 0.00 61.98 60.75 1c9f s VAL 58 Cb -0.13 -2.50 -0.07 0.00 0.00 0.00 0.00 36.38 33.68 1c9f s VAL 58 CO 0.03 0.00 -0.04 0.42 0.00 0.00 0.00 175.10 175.51 1c9f s THR 59 N -3.22 1.91 -1.26 3.92 -4.23 -1.26 -1.40 115.64 110.10 1c9f s THR 59 Ca 0.21 -2.11 0.10 0.00 -1.18 0.00 0.00 61.69 58.71 1c9f s THR 59 Cb -0.03 -2.70 0.14 0.00 1.34 0.00 0.00 72.50 71.25 1c9f s THR 59 CO 0.13 -0.16 1.24 -0.90 -0.54 0.00 0.00 174.62 174.39 1c9f n ASP 60 N -0.77 0.00 -0.01 3.99 5.75 -1.26 -2.25 116.55 122.00 1c9f n ASP 60 Ca -0.05 0.28 0.02 0.00 -0.01 0.00 0.00 54.79 55.04 1c9f n ASP 60 Cb 0.65 -0.37 -0.07 0.00 -1.03 0.00 0.00 41.12 40.30 1c9f n ASP 60 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1c9f n ASP 61 N -1.37 2.93 -0.49 -1.12 8.00 -1.26 -4.46 116.55 118.78 1c9f n ASP 61 Ca 0.04 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.56 1c9f n ASP 61 Cb 0.09 1.24 0.08 0.00 -0.02 0.00 0.00 41.12 42.51 1c9f n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c9f s PHE 63 N -1.63 3.37 0.00 0.00 0.08 -1.22 -4.78 117.98 113.80 1c9f s PHE 63 Ca 0.11 -1.48 0.00 0.00 0.12 0.00 0.00 56.93 55.68 1c9f s PHE 63 Cb 0.07 -3.79 0.00 0.00 -0.57 0.00 0.00 43.02 38.73 1c9f s PHE 63 CO 0.06 -1.01 0.00 -0.35 -0.10 0.00 0.00 175.22 173.82 1c9f n PRO 64 N 4.95 0.00 -3.18 0.24 -0.04 -1.26 -4.78 135.00 130.92 1c9f n PRO 64 Ca -0.08 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.14 1c9f n PRO 64 Cb 0.41 -0.17 -0.05 0.00 -0.04 0.00 0.00 33.50 33.65 1c9f n PRO 64 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1c9f n GLY 65 N 1.82 4.34 3.09 0.55 0.00 -1.26 -4.86 105.19 108.88 1c9f n GLY 65 Ca 0.00 -2.27 -0.36 0.00 0.00 0.00 0.00 46.02 43.39 1c9f n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1c9f n LEU 66 N 0.53 -4.36 -4.77 0.99 4.77 -1.26 -4.90 117.00 107.99 1c9f n LEU 66 Ca 0.27 0.17 -0.30 0.00 -0.03 0.00 0.00 56.01 56.12 1c9f n LEU 66 Cb 0.49 -0.82 0.10 0.00 -2.33 0.00 0.00 43.42 40.86 1c9f n LEU 66 CO 0.29 -4.98 0.69 -2.16 -1.33 0.00 0.00 177.39 169.91 1c9f s PRO 67 N -2.38 1.99 0.54 3.23 0.04 -1.26 -4.82 135.00 132.34 1c9f s PRO 67 Ca 0.43 0.88 -0.18 0.00 0.04 0.00 0.00 61.00 62.18 1c9f s PRO 67 Cb -0.14 -1.89 -0.13 0.00 0.04 0.00 0.00 34.50 32.38 1c9f s PRO 67 CO 0.77 -1.75 0.01 0.27 0.04 0.00 0.00 177.00 176.34 1c9f n ASN 68 N -3.56 -3.10 -4.09 6.66 0.23 -1.26 -0.30 115.26 109.84 1c9f n ASN 68 Ca 0.08 0.66 -0.34 0.00 -0.53 0.00 0.00 54.58 54.44 1c9f n ASN 68 Cb 0.55 -0.93 -0.05 0.00 -2.08 0.00 0.00 39.78 37.27 1c9f n ASN 68 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1c9f n ASP 69 N 2.02 -2.38 -4.28 0.53 8.00 0.70 -4.63 116.55 116.50 1c9f n ASP 69 Ca 0.08 -0.89 -0.60 0.00 0.71 0.00 0.00 54.79 54.10 1c9f n ASP 69 Cb 0.47 -2.03 -0.12 0.00 -0.02 0.00 0.00 41.12 39.43 1c9f n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c9f n ALA 70 N -3.91 0.23 -2.07 2.24 0.00 0.59 -3.82 120.51 113.77 1c9f n ALA 70 Ca 0.08 0.18 -0.38 0.00 0.00 0.00 0.00 53.44 53.32 1c9f n ALA 70 Cb 0.48 -2.11 -0.03 0.00 0.00 0.00 0.00 19.45 17.79 1c9f n ALA 70 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1c9f s GLU 71 N 5.91 2.66 0.24 0.00 2.56 -1.26 -1.60 118.70 127.21 1c9f s GLU 71 Ca 1.19 0.53 0.10 0.00 0.00 0.00 0.00 54.97 56.78 1c9f s GLU 71 Cb -1.45 -4.39 -0.04 0.00 2.00 0.00 0.00 34.13 30.24 1c9f s GLU 71 CO 0.65 -2.71 -0.07 -0.51 -0.56 0.00 0.00 175.26 172.06 1c9f s LEU 72 N 8.88 3.02 -0.08 2.70 1.02 -0.90 -1.41 118.68 131.91 1c9f s LEU 72 Ca 0.65 -0.68 -0.03 0.00 0.02 0.00 0.00 54.13 54.09 1c9f s LEU 72 Cb -0.12 -1.60 0.04 0.00 0.02 0.00 0.00 46.19 44.53 1c9f s LEU 72 CO 0.20 0.04 0.07 -0.22 0.02 0.00 0.00 176.35 176.46 1c9f s LEU 73 N -3.36 0.19 0.51 1.79 2.96 -0.06 -0.63 118.68 120.09 1c9f s LEU 73 Ca 0.29 -0.13 -0.20 0.00 -0.22 0.00 0.00 54.13 53.87 1c9f s LEU 73 Cb -0.07 -0.15 -0.07 0.00 0.50 0.00 0.00 46.19 46.40 1c9f s LEU 73 CO 0.17 -0.28 1.12 -0.22 -1.32 0.00 0.00 176.35 175.83 1c9f s LEU 74 N 2.17 3.83 0.05 -0.68 2.96 0.56 -1.45 118.68 126.13 1c9f s LEU 74 Ca 0.04 2.16 -0.18 0.00 -0.22 0.00 0.00 54.13 55.93 1c9f s LEU 74 Cb -0.13 -4.49 0.04 0.00 0.50 0.00 0.00 46.19 42.10 1c9f s LEU 74 CO -0.05 -1.07 0.42 -0.22 -1.32 0.00 0.00 176.35 174.11 1c9f s LEU 75 N -3.55 0.36 0.28 -0.68 0.20 0.01 -3.06 118.68 112.23 1c9f s LEU 75 Ca 0.70 -0.02 0.02 0.00 0.69 0.00 0.00 54.13 55.52 1c9f s LEU 75 Cb -0.24 1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 47.27 1c9f s LEU 75 CO 0.28 -0.69 0.14 0.42 -0.29 0.00 0.00 176.35 176.20 1c9f s THR 76 N -2.62 0.36 0.49 3.68 -4.23 -1.26 -0.23 115.64 111.84 1c9f s THR 76 Ca -0.04 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.72 1c9f s THR 76 Cb -0.01 -2.55 0.43 0.00 1.34 0.00 0.00 72.50 71.71 1c9f s THR 76 CO -0.03 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 175.94 1c9f h ALA 77 N 2.32 2.55 -0.22 3.99 0.00 -1.85 0.83 119.26 126.88 1c9f h ALA 77 Ca -0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1c9f h ALA 77 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1c9f h ALA 77 CO 0.55 -0.80 0.00 0.41 0.00 0.00 0.00 179.25 179.41 1c9f n GLY 78 N -1.63 1.56 3.25 0.00 0.00 -1.26 -4.83 105.19 102.28 1c9f n GLY 78 Ca 0.17 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1c9f n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1c9f s GLU 79 N -1.63 0.67 -0.09 1.61 0.41 0.29 -5.05 118.70 114.90 1c9f s GLU 79 Ca 0.19 -0.13 -0.06 0.00 -0.41 0.00 0.00 54.97 54.55 1c9f s GLU 79 Cb 0.13 0.30 0.03 0.00 -1.78 0.00 0.00 34.13 32.81 1c9f s GLU 79 CO 0.07 -0.18 0.23 0.95 -0.49 0.00 0.00 175.26 175.84 1c9f s THR 80 N -1.23 -0.02 -0.16 3.63 -4.23 -1.26 -4.07 115.64 108.30 1c9f s THR 80 Ca -0.13 0.08 -0.07 0.00 -1.18 0.00 0.00 61.69 60.39 1c9f s THR 80 Cb -0.05 -0.34 -0.04 0.00 1.34 0.00 0.00 72.50 73.41 1c9f s THR 80 CO 0.04 0.03 0.07 0.86 -0.54 0.00 0.00 174.62 175.09 1c9f s TRP 81 N 0.71 3.32 0.00 3.99 -0.00 -1.26 -5.05 118.94 120.64 1c9f s TRP 81 Ca -0.05 0.20 0.00 0.00 -0.00 0.00 0.00 56.10 56.25 1c9f s TRP 81 Cb -0.06 -2.02 0.00 0.00 -0.00 0.00 0.00 33.47 31.39 1c9f s TRP 81 CO -0.04 0.32 0.00 0.72 -0.00 0.00 0.00 176.95 177.95 1c9f n HIS 82 N 3.04 0.00 -3.54 5.86 8.25 -1.26 -5.01 115.22 122.56 1c9f n HIS 82 Ca -0.17 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.21 1c9f n HIS 82 Cb 0.53 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.61 1c9f n HIS 82 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1c9f s GLY 83 N -0.68 -0.38 -0.91 -1.41 0.00 -1.26 -4.55 107.32 98.14 1c9f s GLY 83 Ca 0.00 1.38 -0.24 0.00 0.00 0.00 0.00 44.72 45.85 1c9f s GLY 83 CO 0.00 0.52 1.62 -0.47 0.00 0.00 0.00 173.10 174.77 1c9f s TYR 84 N -2.55 2.20 0.20 1.90 5.04 -1.26 -4.84 117.35 118.03 1c9f s TYR 84 Ca 0.05 -0.14 -0.17 0.00 -2.44 0.00 0.00 57.07 54.37 1c9f s TYR 84 Cb -0.01 -4.43 -0.08 0.00 0.35 0.00 0.00 41.96 37.79 1c9f s TYR 84 CO -0.06 -1.93 0.66 0.14 -1.34 0.00 0.00 175.55 173.02 1c9f s VAL 85 N 7.04 4.69 -0.43 3.14 -7.23 -1.26 -4.89 120.40 121.45 1c9f s VAL 85 Ca 0.54 1.08 -0.12 0.00 -1.81 0.00 0.00 61.98 61.67 1c9f s VAL 85 Cb -0.04 -3.80 0.06 0.00 0.56 0.00 0.00 36.38 33.17 1c9f s VAL 85 CO -0.01 0.20 0.30 -0.94 -0.31 0.00 0.00 175.10 174.33 1c9f s SER 86 N -1.71 5.86 0.00 4.85 1.04 -1.26 -5.24 113.70 117.24 1c9f s SER 86 Ca 0.42 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.54 1c9f s SER 86 Cb -0.16 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1c9f s SER 86 CO 0.20 -0.54 0.00 -0.67 0.98 0.00 0.00 173.24 173.21