#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 10.33 0.76 -2.80 0.00 0.00 -1.26 -5.02 120.51 122.52 1c9f n ALA 3 Ca 0.62 -1.03 -0.10 0.00 0.00 0.00 0.00 53.44 52.93 1c9f n ALA 3 Cb 0.14 -0.95 0.06 0.00 0.00 0.00 0.00 19.45 18.70 1c9f n ALA 3 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1c9f n VAL 4 N -0.73 -0.04 -4.46 0.00 3.14 -1.26 -5.12 118.33 109.86 1c9f n VAL 4 Ca -0.10 -1.92 -0.34 0.00 -2.96 0.00 0.00 64.34 59.02 1c9f n VAL 4 Cb 0.80 1.20 -0.13 0.00 -1.06 0.00 0.00 33.84 34.65 1c9f n VAL 4 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1c9f s LEU 5 N -1.97 3.01 -0.58 6.55 1.43 -1.26 -5.00 118.68 120.87 1c9f s LEU 5 Ca 0.26 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1c9f s LEU 5 Cb 0.28 -1.72 0.45 0.00 0.03 0.00 0.00 46.19 45.23 1c9f s LEU 5 CO -0.09 0.14 1.80 0.54 0.23 0.00 0.00 176.35 178.97 1c9f n ARG 6 N 3.72 2.95 0.00 1.70 5.12 -1.26 -4.88 116.66 124.01 1c9f n ARG 6 Ca -0.18 -3.56 0.00 0.00 -1.93 0.00 0.00 57.85 52.18 1c9f n ARG 6 Cb 0.52 -2.29 0.00 0.00 -1.16 0.00 0.00 32.46 29.54 1c9f n ARG 6 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1c9f n GLN 7 N -0.83 0.00 -2.34 5.56 6.02 -1.26 -5.13 117.38 119.40 1c9f n GLN 7 Ca 0.57 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 57.14 1c9f n GLN 7 Cb 0.71 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.94 1c9f n GLN 7 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1c9f s PRO 8 N 0.00 4.41 0.53 -1.09 0.04 -1.26 -4.77 135.00 132.86 1c9f s PRO 8 Ca 0.00 1.88 -0.16 0.00 0.04 0.00 0.00 61.00 62.76 1c9f s PRO 8 Cb 0.00 -3.30 -0.07 0.00 0.04 0.00 0.00 34.50 31.17 1c9f s PRO 8 CO 0.00 -0.28 0.99 0.21 0.04 0.00 0.00 177.00 177.96 1c9f s LYS 9 N 0.87 3.90 0.11 4.56 2.20 -1.23 -4.76 119.74 125.39 1c9f s LYS 9 Ca 0.59 0.93 0.06 0.00 -0.36 0.00 0.00 55.97 57.19 1c9f s LYS 9 Cb -0.32 -2.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.84 1c9f s LYS 9 CO 0.31 -0.31 -0.14 0.00 -0.36 0.00 0.00 175.35 174.84 1c9f s VAL 11 N -1.92 -0.02 -0.78 0.00 -7.23 -0.29 0.16 120.40 110.33 1c9f s VAL 11 Ca 0.06 0.06 -0.22 0.00 -1.81 0.00 0.00 61.98 60.08 1c9f s VAL 11 Cb -0.06 -0.46 0.08 0.00 0.56 0.00 0.00 36.38 36.50 1c9f s VAL 11 CO 0.03 0.03 1.08 -0.54 -0.31 0.00 0.00 175.10 175.39 1c9f s LYS 12 N 0.74 3.30 -1.22 4.82 -0.14 -0.06 -1.83 119.74 125.35 1c9f s LYS 12 Ca -0.05 -1.08 -0.20 0.00 -1.36 0.00 0.00 55.97 53.28 1c9f s LYS 12 Cb -0.06 -4.53 0.01 0.00 -1.68 0.00 0.00 37.83 31.58 1c9f s LYS 12 CO -0.05 -1.87 1.78 -1.17 -0.76 0.00 0.00 175.35 173.28 1c9f s LEU 13 N 3.89 3.53 0.58 3.17 2.96 -0.80 -2.12 118.68 129.89 1c9f s LEU 13 Ca 0.28 -2.02 -0.12 0.00 -0.22 0.00 0.00 54.13 52.06 1c9f s LEU 13 Cb -0.11 -2.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.95 1c9f s LEU 13 CO 0.03 -1.88 1.00 -0.60 -1.32 0.00 0.00 176.35 173.58 1c9f s ARG 14 N 5.14 3.67 -0.13 1.98 6.06 0.27 -0.71 118.95 135.23 1c9f s ARG 14 Ca 0.58 0.75 -0.04 0.00 -2.50 0.00 0.00 55.73 54.53 1c9f s ARG 14 Cb 0.02 -2.12 0.05 0.00 0.06 0.00 0.00 34.95 32.96 1c9f s ARG 14 CO 0.07 -0.47 0.09 0.00 -2.50 0.00 0.00 175.30 172.49 1c9f s ALA 15 N -3.02 0.33 0.46 6.12 0.00 -1.00 -0.60 121.76 124.05 1c9f s ALA 15 Ca 0.55 -0.13 0.14 0.00 0.00 0.00 0.00 51.96 52.52 1c9f s ALA 15 Cb -0.11 -0.93 1.05 0.00 0.00 0.00 0.00 23.12 23.14 1c9f s ALA 15 CO 0.48 -0.97 2.03 1.25 0.00 0.00 0.00 175.76 178.55 1c9f h LEU 16 N 8.42 0.04 -0.28 0.00 6.46 -1.87 0.16 115.31 128.24 1c9f h LEU 16 Ca -0.14 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 1c9f h LEU 16 Cb 1.14 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.06 1c9f h LEU 16 CO 0.25 0.16 0.00 1.57 -0.62 0.00 0.00 178.44 179.79 1c9f n HIS 17 N -4.39 0.09 -3.06 1.25 -0.00 -1.26 -4.83 115.22 103.02 1c9f n HIS 17 Ca -0.02 -0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.11 1c9f n HIS 17 Cb 0.19 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.06 1c9f n HIS 17 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1c9f n SER 18 N -0.35 1.88 -0.14 0.26 2.88 0.04 -5.06 113.62 113.14 1c9f n SER 18 Ca 0.07 -0.06 0.09 0.00 -1.33 0.00 0.00 58.87 57.64 1c9f n SER 18 Cb 0.09 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 63.69 1c9f n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c9f n ALA 19 N -3.00 2.31 0.00 -1.46 0.00 -1.26 -4.97 120.51 112.13 1c9f n ALA 19 Ca 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 53.44 50.92 1c9f n ALA 19 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1c9f n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c9f s LYS 21 N -0.42 1.29 -0.34 0.00 0.00 -1.26 -2.38 119.74 116.64 1c9f s LYS 21 Ca 0.00 -1.68 0.03 0.00 0.00 0.00 0.00 55.97 54.32 1c9f s LYS 21 Cb 0.00 -0.12 0.10 0.00 0.00 0.00 0.00 37.83 37.81 1c9f s LYS 21 CO 0.00 -0.29 0.06 0.12 0.00 0.00 0.00 175.35 175.25 1c9f s PHE 22 N -3.84 3.33 -0.81 1.78 5.36 0.11 -4.90 117.98 119.00 1c9f s PHE 22 Ca 0.35 -2.74 -0.25 0.00 -0.96 0.00 0.00 56.93 53.32 1c9f s PHE 22 Cb 0.07 -2.67 -0.05 0.00 -0.34 0.00 0.00 43.02 40.03 1c9f s PHE 22 CO 0.11 -0.93 1.99 0.20 -1.46 0.00 0.00 175.22 175.13 1c9f s GLY 23 N 1.03 0.05 0.04 13.12 0.00 -1.26 -1.91 107.32 118.40 1c9f s GLY 23 Ca 0.11 -1.19 -0.05 0.00 0.00 0.00 0.00 44.72 43.59 1c9f s GLY 23 CO -0.11 3.58 0.28 0.54 0.00 0.00 0.00 173.10 177.39 1c9f s VAL 24 N 10.44 5.28 0.02 1.40 0.11 -0.76 -4.90 120.40 131.98 1c9f s VAL 24 Ca 0.73 0.07 0.02 0.00 -2.93 0.00 0.00 61.98 59.88 1c9f s VAL 24 Cb -0.09 -3.59 -0.01 0.00 -1.53 0.00 0.00 36.38 31.16 1c9f s VAL 24 CO 0.06 0.27 -0.08 0.00 -3.33 0.00 0.00 175.10 172.02 1c9f s ALA 25 N -1.40 0.62 -0.30 1.54 0.00 -1.26 -1.13 121.76 119.83 1c9f s ALA 25 Ca 0.31 -0.54 -0.16 0.00 0.00 0.00 0.00 51.96 51.57 1c9f s ALA 25 Cb -0.13 -0.06 0.16 0.00 0.00 0.00 0.00 23.12 23.09 1c9f s ALA 25 CO 0.19 0.08 1.01 0.00 0.00 0.00 0.00 175.76 177.04 1c9f s ALA 26 N -0.74 -2.58 0.56 0.00 0.00 -0.22 -4.92 121.76 113.86 1c9f s ALA 26 Ca -0.03 2.09 0.43 0.00 0.00 0.00 0.00 51.96 54.46 1c9f s ALA 26 Cb -0.06 -1.94 1.57 0.00 0.00 0.00 0.00 23.12 22.69 1c9f s ALA 26 CO 0.00 -0.71 1.60 0.00 0.00 0.00 0.00 175.76 176.65 1c9f h ARG 27 N 6.87 0.00 -3.98 0.00 3.08 -1.86 -3.18 114.38 115.31 1c9f h ARG 27 Ca -0.20 0.00 -0.77 0.00 0.07 0.00 0.00 59.98 59.08 1c9f h ARG 27 Cb 1.14 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.94 1c9f h ARG 27 CO 0.13 0.00 -0.10 -1.12 -1.07 0.00 0.00 179.97 177.81 1c9f s SER 28 N -4.14 6.38 0.48 7.04 0.01 -1.26 -4.55 113.70 117.65 1c9f s SER 28 Ca -0.05 -2.20 0.33 0.00 1.31 0.00 0.00 55.95 55.35 1c9f s SER 28 Cb 0.24 -2.19 1.45 0.00 0.21 0.00 0.00 66.02 65.73 1c9f s SER 28 CO 0.80 -0.72 1.70 0.00 0.41 0.00 0.00 173.24 175.43 1c9f h GLN 30 N 0.11 0.00 0.02 0.00 7.50 -1.89 -2.47 115.11 118.38 1c9f h GLN 30 Ca 0.72 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.82 1c9f h GLN 30 Cb 2.47 0.00 0.01 0.00 0.05 0.00 0.00 27.48 30.00 1c9f h GLN 30 CO -0.20 0.01 -0.21 1.49 -1.50 0.00 0.00 178.83 178.42 1c9f h GLU 31 N 0.00 0.11 -0.91 1.46 4.81 0.31 -2.56 114.58 117.80 1c9f h GLU 31 Ca -0.00 -0.14 0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1c9f h GLU 31 Cb 0.13 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.51 1c9f h GLU 31 CO 0.00 0.97 0.60 -0.07 -0.73 0.00 0.00 179.01 179.78 1c9f h LEU 32 N -0.69 0.99 0.44 1.64 3.38 -1.45 0.11 115.31 119.73 1c9f h LEU 32 Ca -0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1c9f h LEU 32 Cb 1.06 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1c9f h LEU 32 CO 0.04 0.69 -0.21 -0.07 0.09 0.00 0.00 178.44 178.97 1c9f h LEU 33 N 1.15 -0.50 0.13 1.67 3.38 -1.53 0.15 115.31 119.76 1c9f h LEU 33 Ca 0.36 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1c9f h LEU 33 Cb -0.01 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1c9f h LEU 33 CO -0.10 -0.26 -0.23 0.03 0.09 0.00 0.00 178.44 177.97 1c9f h ARG 34 N -0.80 -0.37 -0.40 1.13 2.47 -1.37 0.15 114.38 115.20 1c9f h ARG 34 Ca -0.06 0.03 0.11 0.00 -1.26 0.00 0.00 59.98 58.80 1c9f h ARG 34 Cb 0.46 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.84 1c9f h ARG 34 CO 0.10 -0.25 0.56 0.87 0.56 0.00 0.00 179.97 181.81 1c9f h LYS 35 N -0.38 0.00 0.11 0.04 1.57 -0.91 0.04 116.57 117.04 1c9f h LYS 35 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1c9f h LYS 35 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1c9f h LYS 35 CO -0.08 0.00 -0.05 0.78 -0.57 0.00 0.00 179.45 179.52 1c9f h GLY 36 N 0.00 -0.15 2.00 3.86 0.00 0.20 -2.68 103.07 106.30 1c9f h GLY 36 Ca 0.19 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1c9f h GLY 36 CO -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 176.54 176.48 1c9f h VAL 38 N 0.00 0.05 -0.38 0.00 2.07 -1.23 0.18 116.25 116.95 1c9f h VAL 38 Ca 0.00 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 1c9f h VAL 38 Cb 0.13 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1c9f h VAL 38 CO 0.00 0.01 0.00 -0.09 0.02 0.00 0.00 177.57 177.52 1c9f h ARG 39 N -1.03 0.59 0.00 1.57 9.65 -1.36 -1.96 114.38 121.84 1c9f h ARG 39 Ca -0.01 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.73 1c9f h ARG 39 Cb 0.12 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 1c9f h ARG 39 CO 0.02 0.62 -0.36 1.19 2.80 0.00 0.00 179.97 184.24 1c9f n PHE 40 N -4.26 0.70 -3.11 2.20 3.01 -0.39 -4.99 117.46 110.62 1c9f n PHE 40 Ca 0.02 0.20 -0.18 0.00 1.01 0.00 0.00 57.45 58.50 1c9f n PHE 40 Cb 0.26 -0.77 0.02 0.00 -0.01 0.00 0.00 39.48 38.98 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 -2.16 -2.13 -3.89 -1.08 1.13 0.59 -4.95 117.38 104.88 1c9f n GLN 41 Ca 0.04 1.81 -0.33 0.00 -1.94 0.00 0.00 57.00 56.58 1c9f n GLN 41 Cb 0.43 -4.43 -0.13 0.00 0.11 0.00 0.00 30.24 26.22 1c9f n GLN 41 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1c9f s LEU 42 N -2.77 4.93 0.77 1.08 1.98 -0.82 -5.02 118.68 118.83 1c9f s LEU 42 Ca 0.26 -2.31 -0.11 0.00 -2.89 0.00 0.00 54.13 49.09 1c9f s LEU 42 Cb -0.05 -1.72 0.05 0.00 0.66 0.00 0.00 46.19 45.13 1c9f s LEU 42 CO 0.81 -0.42 1.08 -2.16 -1.89 0.00 0.00 176.35 173.77 1c9f s PRO 43 N 0.72 2.29 -0.01 0.98 0.04 -1.26 -4.98 135.00 132.77 1c9f s PRO 43 Ca 0.11 0.97 -0.24 0.00 0.04 0.00 0.00 61.00 61.89 1c9f s PRO 43 Cb -0.21 -1.91 -0.19 0.00 0.04 0.00 0.00 34.50 32.22 1c9f s PRO 43 CO -0.05 -1.57 1.23 1.98 0.04 0.00 0.00 177.00 178.64 1c9f h MET 44 N -1.06 0.16 -7.08 4.56 4.05 -1.99 -3.39 114.93 110.19 1c9f h MET 44 Ca -0.45 -0.10 -0.46 0.00 -0.28 0.00 0.00 59.70 58.41 1c9f h MET 44 Cb 1.24 0.01 0.01 0.00 -0.80 0.00 0.00 31.60 32.06 1c9f h MET 44 CO 0.55 0.67 0.37 -1.25 0.23 0.00 0.00 176.91 177.48 1c9f s PRO 45 N -3.99 3.92 -1.43 0.39 0.04 -1.26 -3.79 135.00 128.87 1c9f s PRO 45 Ca -0.15 1.27 -0.04 0.00 0.04 0.00 0.00 61.00 62.12 1c9f s PRO 45 Cb 0.03 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1c9f s PRO 45 CO 0.72 -0.32 0.29 0.41 0.04 0.00 0.00 177.00 178.14 1c9f n GLY 46 N -0.42 -0.27 3.62 0.56 0.00 -1.26 -4.91 105.19 102.50 1c9f n GLY 46 Ca 0.08 0.19 -0.07 0.00 0.00 0.00 0.00 46.02 46.23 1c9f n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c9f s SER 47 N -4.26 -0.30 -0.28 1.61 0.01 -1.25 -3.95 113.70 105.28 1c9f s SER 47 Ca 0.07 -0.21 -0.28 0.00 1.31 0.00 0.00 55.95 56.84 1c9f s SER 47 Cb -0.03 0.47 0.18 0.00 0.21 0.00 0.00 66.02 66.85 1c9f s SER 47 CO 0.94 -0.82 1.35 -0.13 0.41 0.00 0.00 173.24 174.99 1c9f s ARG 48 N -3.31 0.12 0.40 12.44 0.52 0.95 -4.69 118.95 125.38 1c9f s ARG 48 Ca 0.08 0.06 0.08 0.00 -0.52 0.00 0.00 55.73 55.43 1c9f s ARG 48 Cb -0.01 0.06 -0.05 0.00 0.52 0.00 0.00 34.95 35.46 1c9f s ARG 48 CO -0.04 -0.03 0.14 -0.51 0.02 0.00 0.00 175.30 174.88 1c9f s LEU 49 N -0.65 3.09 0.14 2.53 1.43 -0.63 -0.69 118.68 123.89 1c9f s LEU 49 Ca 0.07 -1.08 -0.14 0.00 -1.03 0.00 0.00 54.13 51.95 1c9f s LEU 49 Cb -0.02 -1.39 0.02 0.00 0.03 0.00 0.00 46.19 44.83 1c9f s LEU 49 CO -0.10 -0.49 0.37 0.00 0.23 0.00 0.00 176.35 176.37 1c9f s LEU 51 N -2.86 4.25 0.34 0.00 1.02 0.53 -1.18 118.68 120.78 1c9f s LEU 51 Ca 0.07 0.15 0.25 0.00 0.02 0.00 0.00 54.13 54.62 1c9f s LEU 51 Cb 0.02 -2.67 1.21 0.00 0.02 0.00 0.00 46.19 44.77 1c9f s LEU 51 CO -0.08 -0.47 1.75 0.22 0.02 0.00 0.00 176.35 177.79 1c9f h TYR 52 N 8.36 0.00 -0.49 0.29 3.20 -1.55 0.41 116.97 127.19 1c9f h TYR 52 Ca -0.28 0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.69 1c9f h TYR 52 Cb 1.12 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 39.29 1c9f h TYR 52 CO 0.74 0.00 -0.21 1.49 -1.64 0.00 0.00 178.16 178.54 1c9f h GLU 53 N 0.00 -0.10 0.00 1.82 4.57 -1.92 -3.33 114.58 115.62 1c9f h GLU 53 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1c9f h GLU 53 Cb 0.16 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1c9f h GLU 53 CO 0.00 -0.07 -0.39 -3.47 -1.18 0.00 0.00 179.01 173.91 1c9f n ASP 54 N -5.40 0.00 0.00 1.04 2.03 -1.17 -4.39 116.55 108.66 1c9f n ASP 54 Ca 0.04 -1.78 0.00 0.00 0.52 0.00 0.00 54.79 53.57 1c9f n ASP 54 Cb 0.31 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 1c9f n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1c9f n GLY 55 N 0.00 0.49 3.51 0.27 0.00 0.03 -4.20 105.19 105.29 1c9f n GLY 55 Ca 0.00 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 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 1.69 -0.03 2.61 -4.23 -0.56 -4.69 115.64 108.44 1c9f s THR 56 Ca 0.00 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.56 1c9f s THR 56 Cb 0.00 -2.29 -0.01 0.00 1.34 0.00 0.00 72.50 71.54 1c9f s THR 56 CO 0.00 0.00 -0.17 -1.61 -0.54 0.00 0.00 174.62 172.30 1c9f s GLU 57 N -5.00 1.65 0.32 3.99 0.41 -1.26 -0.35 118.70 118.45 1c9f s GLU 57 Ca 0.69 -0.62 -0.15 0.00 -0.41 0.00 0.00 54.97 54.48 1c9f s GLU 57 Cb -0.16 -1.49 0.02 0.00 -1.78 0.00 0.00 34.13 30.73 1c9f s GLU 57 CO 0.59 0.29 0.66 0.08 -0.49 0.00 0.00 175.26 176.39 1c9f s VAL 58 N -0.13 0.00 0.26 2.63 1.01 0.25 -4.79 120.40 119.63 1c9f s VAL 58 Ca 0.00 -1.17 0.11 0.00 0.00 0.00 0.00 61.98 60.92 1c9f s VAL 58 Cb -0.10 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 1c9f s VAL 58 CO 0.01 0.00 -0.18 0.42 0.00 0.00 0.00 175.10 175.35 1c9f s THR 59 N -3.31 2.27 -1.22 3.92 -4.23 -1.26 -1.61 115.64 110.20 1c9f s THR 59 Ca 0.17 -2.35 0.07 0.00 -1.18 0.00 0.00 61.69 58.41 1c9f s THR 59 Cb -0.04 -2.22 0.09 0.00 1.34 0.00 0.00 72.50 71.67 1c9f s THR 59 CO 0.11 -0.45 1.14 -0.90 -0.54 0.00 0.00 174.62 173.98 1c9f n ASP 60 N -0.54 0.00 -0.00 3.99 5.75 -1.26 -1.77 116.55 122.72 1c9f n ASP 60 Ca -0.06 0.34 0.07 0.00 -0.01 0.00 0.00 54.79 55.13 1c9f n ASP 60 Cb 0.60 -0.39 -0.10 0.00 -1.03 0.00 0.00 41.12 40.20 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 -1.39 1.17 0.02 -1.12 8.00 -1.26 -4.56 116.55 117.42 1c9f n ASP 61 Ca 0.02 -0.39 -0.22 0.00 0.71 0.00 0.00 54.79 54.92 1c9f n ASP 61 Cb 0.07 1.37 -0.14 0.00 -0.02 0.00 0.00 41.12 42.39 1c9f n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c9f n PHE 63 N -3.59 0.54 0.00 0.00 3.72 -1.11 -4.81 117.46 112.21 1c9f n PHE 63 Ca -0.29 0.37 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1c9f n PHE 63 Cb 1.03 -2.31 0.00 0.00 -0.94 0.00 0.00 39.48 37.27 1c9f n PHE 63 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1c9f n PRO 64 N 8.33 0.00 -3.25 -1.08 -0.04 -1.26 -4.72 135.00 132.98 1c9f n PRO 64 Ca 0.65 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.82 1c9f n PRO 64 Cb 0.03 -0.23 -0.06 0.00 -0.04 0.00 0.00 33.50 33.20 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 2.36 5.09 3.41 0.55 0.00 -1.26 -4.85 105.19 110.50 1c9f n GLY 65 Ca 0.00 -2.77 -0.44 0.00 0.00 0.00 0.00 46.02 42.81 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 0.59 -0.92 -4.74 0.99 4.77 -1.26 -4.91 117.00 111.51 1c9f n LEU 66 Ca 0.30 1.00 -0.29 0.00 -0.03 0.00 0.00 56.01 56.99 1c9f n LEU 66 Cb 0.39 -1.02 0.14 0.00 -2.33 0.00 0.00 43.42 40.60 1c9f n LEU 66 CO 0.42 -3.06 0.68 -2.16 -1.33 0.00 0.00 177.39 171.95 1c9f s PRO 67 N -1.23 1.21 0.70 3.23 0.04 -1.26 -4.89 135.00 132.79 1c9f s PRO 67 Ca 0.62 0.57 -0.16 0.00 0.04 0.00 0.00 61.00 62.06 1c9f s PRO 67 Cb -0.74 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 1c9f s PRO 67 CO 0.59 -2.21 0.63 -1.71 0.04 0.00 0.00 177.00 174.34 1c9f n ASN 68 N -3.82 -0.76 -4.22 6.66 2.85 -1.26 -1.44 115.26 113.26 1c9f n ASN 68 Ca 0.06 0.64 -0.37 0.00 -0.11 0.00 0.00 54.58 54.80 1c9f n ASN 68 Cb 0.57 -1.26 -0.05 0.00 1.24 0.00 0.00 39.78 40.28 1c9f n ASN 68 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1c9f n ASP 69 N -0.47 -2.32 -4.63 1.20 2.03 0.42 -4.73 116.55 108.05 1c9f n ASP 69 Ca 0.11 -0.99 -0.49 0.00 0.52 0.00 0.00 54.79 53.94 1c9f n ASP 69 Cb 0.49 -1.97 -0.05 0.00 -0.72 0.00 0.00 41.12 38.87 1c9f n ASP 69 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1c9f n ALA 70 N -3.99 0.94 -2.61 -1.67 0.00 -0.52 -4.37 120.51 108.29 1c9f n ALA 70 Ca 0.09 0.16 -0.43 0.00 0.00 0.00 0.00 53.44 53.26 1c9f n ALA 70 Cb 0.47 -2.54 -0.05 0.00 0.00 0.00 0.00 19.45 17.33 1c9f n ALA 70 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1c9f s GLU 71 N 4.75 3.32 0.27 0.00 2.02 -1.26 -0.88 118.70 126.92 1c9f s GLU 71 Ca 0.98 -0.31 0.11 0.00 0.02 0.00 0.00 54.97 55.77 1c9f s GLU 71 Cb -0.71 -4.00 -0.05 0.00 0.10 0.00 0.00 34.13 29.47 1c9f s GLU 71 CO 0.50 -1.23 -0.12 -0.51 0.02 0.00 0.00 175.26 173.92 1c9f s LEU 72 N 3.32 2.84 -0.01 1.80 1.02 -0.90 -1.50 118.68 125.26 1c9f s LEU 72 Ca 0.27 -0.86 0.02 0.00 0.02 0.00 0.00 54.13 53.58 1c9f s LEU 72 Cb -0.14 -1.36 -0.01 0.00 0.02 0.00 0.00 46.19 44.71 1c9f s LEU 72 CO 0.20 0.03 -0.07 -0.22 0.02 0.00 0.00 176.35 176.30 1c9f s LEU 73 N -3.54 2.01 0.33 1.79 0.20 -0.32 -0.56 118.68 118.59 1c9f s LEU 73 Ca 0.30 -0.12 -0.26 0.00 0.69 0.00 0.00 54.13 54.74 1c9f s LEU 73 Cb -0.06 -0.36 -0.10 0.00 -0.43 0.00 0.00 46.19 45.25 1c9f s LEU 73 CO 0.17 0.08 0.95 -0.22 -0.29 0.00 0.00 176.35 177.04 1c9f s LEU 74 N -0.16 4.31 0.13 -0.68 2.96 0.23 -2.03 118.68 123.44 1c9f s LEU 74 Ca 0.03 1.83 -0.16 0.00 -0.22 0.00 0.00 54.13 55.60 1c9f s LEU 74 Cb -0.03 -4.05 0.04 0.00 0.50 0.00 0.00 46.19 42.65 1c9f s LEU 74 CO -0.00 -0.09 0.41 -0.22 -1.32 0.00 0.00 176.35 175.13 1c9f s LEU 75 N -2.13 0.34 0.22 -0.68 0.20 0.13 -3.47 118.68 113.30 1c9f s LEU 75 Ca 0.51 -0.30 -0.13 0.00 0.69 0.00 0.00 54.13 54.90 1c9f s LEU 75 Cb -0.18 1.88 0.00 0.00 -0.43 0.00 0.00 46.19 47.47 1c9f s LEU 75 CO 0.23 -0.86 0.46 0.42 -0.29 0.00 0.00 176.35 176.31 1c9f s THR 76 N -3.79 0.02 0.55 3.68 -4.23 -1.25 -0.03 115.64 110.58 1c9f s THR 76 Ca 0.03 -1.24 0.40 0.00 -1.18 0.00 0.00 61.69 59.70 1c9f s THR 76 Cb 0.02 -1.98 0.60 0.00 1.34 0.00 0.00 72.50 72.48 1c9f s THR 76 CO -0.12 -0.09 1.74 0.00 -0.54 0.00 0.00 174.62 175.61 1c9f h ALA 77 N 2.29 3.32 -0.50 3.99 0.00 -1.84 2.07 119.26 128.58 1c9f h ALA 77 Ca -0.27 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 1c9f h ALA 77 Cb 1.25 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 19.05 1c9f h ALA 77 CO 0.38 -1.73 0.20 0.41 0.00 0.00 0.00 179.25 178.51 1c9f n GLY 78 N -1.81 3.01 3.39 0.00 0.00 -1.26 -4.88 105.19 103.65 1c9f n GLY 78 Ca 0.31 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.13 0.97 -0.16 1.61 0.41 0.70 -5.09 118.70 115.00 1c9f s GLU 79 Ca 0.36 -0.11 -0.14 0.00 -0.41 0.00 0.00 54.97 54.67 1c9f s GLU 79 Cb 0.29 0.44 0.05 0.00 -1.78 0.00 0.00 34.13 33.13 1c9f s GLU 79 CO 0.09 -0.32 0.42 0.95 -0.49 0.00 0.00 175.26 175.91 1c9f s THR 80 N -1.93 -0.01 -0.12 3.63 -4.23 -1.26 -4.01 115.64 107.72 1c9f s THR 80 Ca -0.08 0.02 -0.03 0.00 -1.18 0.00 0.00 61.69 60.42 1c9f s THR 80 Cb -0.01 -0.60 -0.03 0.00 1.34 0.00 0.00 72.50 73.20 1c9f s THR 80 CO 0.02 0.01 -0.02 0.86 -0.54 0.00 0.00 174.62 174.96 1c9f s TRP 81 N 0.48 3.09 0.00 3.99 -0.00 -1.26 -5.06 118.94 120.18 1c9f s TRP 81 Ca -0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 56.10 56.06 1c9f s TRP 81 Cb -0.04 -1.87 0.00 0.00 -0.00 0.00 0.00 33.47 31.56 1c9f s TRP 81 CO -0.02 0.24 0.20 0.72 -0.00 0.00 0.00 176.95 178.08 1c9f n HIS 82 N 2.80 0.00 0.00 5.86 8.25 -1.26 -4.98 115.22 125.89 1c9f n HIS 82 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1c9f n HIS 82 Cb 0.53 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.55 1c9f n HIS 82 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1c9f n GLY 83 N 1.39 -0.66 3.72 -1.41 0.00 -1.26 -4.60 105.19 102.37 1c9f n GLY 83 Ca 0.00 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 1c9f n GLY 83 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1c9f s TYR 84 N -2.00 3.66 0.09 1.61 5.04 -1.26 -4.80 117.35 119.68 1c9f s TYR 84 Ca 0.00 1.47 -0.25 0.00 -2.44 0.00 0.00 57.07 55.84 1c9f s TYR 84 Cb 0.00 -2.91 -0.06 0.00 0.35 0.00 0.00 41.96 39.34 1c9f s TYR 84 CO 0.00 0.12 0.77 0.14 -1.34 0.00 0.00 175.55 175.24 1c9f s VAL 85 N 0.58 4.61 -0.52 3.14 -7.23 -1.26 -4.94 120.40 114.78 1c9f s VAL 85 Ca 0.42 1.65 -0.04 0.00 -1.81 0.00 0.00 61.98 62.20 1c9f s VAL 85 Cb -0.20 -4.12 0.14 0.00 0.56 0.00 0.00 36.38 32.76 1c9f s VAL 85 CO 0.23 0.42 0.34 -0.55 -0.31 0.00 0.00 175.10 175.23 1c9f s SER 86 N -0.43 5.39 0.00 4.85 0.15 -1.26 -5.20 113.70 117.20 1c9f s SER 86 Ca 0.38 -2.36 0.00 0.00 0.70 0.00 0.00 55.95 54.66 1c9f s SER 86 Cb -0.21 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 1c9f s SER 86 CO 0.24 -0.50 0.00 -0.90 1.20 0.00 0.00 173.24 173.28