#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kpf s THR 17 N 0.00 2.15 0.25 2.12 -4.23 -1.26 -4.89 115.64 109.77 1kpf s THR 17 Ca 0.00 -0.51 -0.04 0.00 -1.18 0.00 0.00 61.69 59.96 1kpf s THR 17 Cb 0.00 -2.64 0.22 0.00 1.34 0.00 0.00 72.50 71.42 1kpf s THR 17 CO 0.00 0.00 1.83 0.40 -0.54 0.00 0.00 174.62 176.31 1kpf h ILE 18 N -0.64 0.97 -0.01 2.99 2.04 -1.98 -0.50 117.51 120.38 1kpf h ILE 18 Ca -0.38 -0.31 -0.17 0.00 1.00 0.00 0.00 64.86 65.00 1kpf h ILE 18 Cb 1.27 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1kpf h ILE 18 CO 0.41 0.16 -0.78 -0.26 0.00 0.00 0.00 178.15 177.69 1kpf h PHE 19 N 0.89 0.15 -0.73 1.37 0.04 -1.96 -0.43 116.94 116.27 1kpf h PHE 19 Ca 0.39 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 61.09 1kpf h PHE 19 Cb 0.28 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.37 1kpf h PHE 19 CO -0.04 0.84 0.46 0.78 -0.60 0.00 0.00 178.31 179.75 1kpf h GLY 20 N 1.99 1.04 1.22 -1.45 0.00 -1.62 -1.31 103.07 102.95 1kpf h GLY 20 Ca -0.02 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.77 1kpf h GLY 20 CO 0.11 0.40 -0.25 0.50 0.00 0.00 0.00 176.54 177.30 1kpf h LYS 21 N 0.99 0.88 -0.52 4.80 1.57 -0.68 -2.33 116.57 121.29 1kpf h LYS 21 Ca 0.26 -0.38 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1kpf h LYS 21 Cb -0.08 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1kpf h LYS 21 CO -0.05 1.03 0.32 0.82 -0.57 0.00 0.00 179.45 180.99 1kpf h ILE 22 N 0.76 1.15 -0.59 1.86 2.04 -0.82 0.23 117.51 122.14 1kpf h ILE 22 Ca 0.09 -0.34 0.07 0.00 1.00 0.00 0.00 64.86 65.69 1kpf h ILE 22 Cb 0.80 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 37.27 1kpf h ILE 22 CO 0.07 0.16 0.27 0.40 0.00 0.00 0.00 178.15 179.05 1kpf h ILE 23 N 0.69 0.87 0.00 -0.67 2.04 -1.02 -1.37 117.51 118.05 1kpf h ILE 23 Ca 0.19 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1kpf h ILE 23 Cb -0.02 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1kpf h ILE 23 CO -0.04 0.09 0.00 0.54 0.00 0.00 0.00 178.15 178.75 1kpf n ARG 24 N -4.91 0.76 -3.47 2.37 1.74 -0.90 -4.89 116.66 107.37 1kpf n ARG 24 Ca 0.07 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.94 1kpf n ARG 24 Cb 0.21 -1.44 0.07 0.00 -1.02 0.00 0.00 32.46 30.28 1kpf n ARG 24 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1kpf n LYS 25 N -0.94 -7.13 -0.07 5.56 5.02 -0.52 -4.90 118.16 115.18 1kpf n LYS 25 Ca 0.16 0.75 -0.06 0.00 -2.02 0.00 0.00 58.31 57.14 1kpf n LYS 25 Cb 0.07 -5.56 -0.12 0.00 -0.02 0.00 0.00 35.03 29.40 1kpf n LYS 25 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1kpf n GLU 26 N -4.55 1.35 -5.26 1.97 4.07 0.74 -4.93 120.64 114.03 1kpf n GLU 26 Ca 0.00 -0.02 -0.31 0.00 -0.06 0.00 0.00 57.16 56.77 1kpf n GLU 26 Cb 0.56 -1.40 -0.16 0.00 -0.06 0.00 0.00 31.44 30.37 1kpf n GLU 26 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1kpf s ILE 27 N -2.46 2.03 0.47 6.31 1.01 -1.12 -4.96 121.20 122.48 1kpf s ILE 27 Ca -0.08 -1.06 -0.23 0.00 0.00 0.00 0.00 60.65 59.28 1kpf s ILE 27 Cb 0.05 -1.71 -0.07 0.00 0.01 0.00 0.00 42.46 40.74 1kpf s ILE 27 CO 0.65 0.57 1.27 -2.16 0.00 0.00 0.00 174.94 175.26 1kpf s PRO 28 N -0.23 3.63 -0.29 2.79 0.04 -1.26 -4.30 135.00 135.38 1kpf s PRO 28 Ca -0.01 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 62.90 1kpf s PRO 28 Cb -0.13 -2.47 0.16 0.00 0.04 0.00 0.00 34.50 32.11 1kpf s PRO 28 CO 0.03 -0.73 1.06 0.00 0.04 0.00 0.00 177.00 177.39 1kpf s ALA 29 N -1.38 -2.43 -0.17 8.56 0.00 -1.26 -5.01 121.76 120.07 1kpf s ALA 29 Ca 0.64 2.13 -0.29 0.00 0.00 0.00 0.00 51.96 54.44 1kpf s ALA 29 Cb -0.35 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 20.94 1kpf s ALA 29 CO 0.43 -0.39 1.19 0.15 0.00 0.00 0.00 175.76 177.14 1kpf s LYS 30 N 1.34 4.26 -0.21 0.00 1.02 -1.26 -4.99 119.74 119.90 1kpf s LYS 30 Ca -0.08 1.57 -0.22 0.00 0.02 0.00 0.00 55.97 57.26 1kpf s LYS 30 Cb -0.03 -3.71 -0.02 0.00 -0.52 0.00 0.00 37.83 33.55 1kpf s LYS 30 CO -0.14 -0.65 0.69 0.42 -0.92 0.00 0.00 175.35 174.75 1kpf s ILE 31 N 3.26 4.96 -0.64 2.17 1.01 -1.26 -4.30 121.20 126.40 1kpf s ILE 31 Ca 0.52 1.30 0.22 0.00 0.00 0.00 0.00 60.65 62.69 1kpf s ILE 31 Cb -0.20 -4.00 -0.18 0.00 0.01 0.00 0.00 42.46 38.09 1kpf s ILE 31 CO 0.13 0.05 0.91 2.30 0.00 0.00 0.00 174.94 178.33 1kpf n ILE 32 N 4.89 0.08 -3.60 2.92 -5.35 -0.21 -4.96 119.36 113.14 1kpf n ILE 32 Ca 0.01 -0.21 -0.15 0.00 -0.27 0.00 0.00 62.75 62.13 1kpf n ILE 32 Cb 0.49 0.40 -0.07 0.00 -1.74 0.00 0.00 39.64 38.73 1kpf n ILE 32 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1kpf s PHE 33 N -3.19 -0.73 -0.25 4.28 2.19 -1.24 -4.97 117.98 114.07 1kpf s PHE 33 Ca 0.03 1.64 -0.21 0.00 0.33 0.00 0.00 56.93 58.72 1kpf s PHE 33 Cb 0.15 0.32 0.07 0.00 -1.31 0.00 0.00 43.02 42.24 1kpf s PHE 33 CO 0.84 -0.45 0.64 -2.00 1.83 0.00 0.00 175.22 176.08 1kpf s GLU 34 N -0.13 0.73 0.00 10.12 2.12 -1.26 -1.09 118.70 129.19 1kpf s GLU 34 Ca -0.03 0.95 0.00 0.00 0.36 0.00 0.00 54.97 56.24 1kpf s GLU 34 Cb -0.03 0.32 0.00 0.00 0.26 0.00 0.00 34.13 34.67 1kpf s GLU 34 CO 0.04 -0.10 0.00 -0.40 -0.54 0.00 0.00 175.26 174.25 1kpf n ASP 35 N 3.03 0.21 0.32 -1.70 5.68 -0.53 -5.01 116.55 118.55 1kpf n ASP 35 Ca -0.15 -0.92 0.21 0.00 -0.50 0.00 0.00 54.79 53.42 1kpf n ASP 35 Cb 0.56 0.00 1.05 0.00 -1.14 0.00 0.00 41.12 41.59 1kpf n ASP 35 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1kpf h ASP 36 N 0.00 0.00 -0.00 -1.12 2.03 -2.04 -3.28 116.42 112.01 1kpf h ASP 36 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1kpf h ASP 36 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1kpf h ASP 36 CO 0.00 0.01 -0.01 -2.11 -1.03 0.00 0.00 179.24 176.10 1kpf n ARG 37 N -3.13 4.21 -3.81 4.15 1.85 -1.26 -4.93 116.66 113.74 1kpf n ARG 37 Ca -0.02 -0.18 -0.05 0.00 -1.00 0.00 0.00 57.85 56.60 1kpf n ARG 37 Cb 0.14 -0.68 -0.00 0.00 -1.05 0.00 0.00 32.46 30.86 1kpf n ARG 37 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1kpf s LEU 39 N -3.03 0.93 0.05 0.00 0.05 -0.48 -1.45 118.68 114.76 1kpf s LEU 39 Ca 0.14 -0.68 0.02 0.00 0.05 0.00 0.00 54.13 53.66 1kpf s LEU 39 Cb -0.03 1.34 -0.03 0.00 -2.05 0.00 0.00 46.19 45.42 1kpf s LEU 39 CO 0.05 -0.85 -0.08 0.00 -0.55 0.00 0.00 176.35 174.92 1kpf s ALA 40 N -3.90 0.67 0.11 1.48 0.00 -0.25 -1.04 121.76 118.83 1kpf s ALA 40 Ca 0.10 -0.88 -0.24 0.00 0.00 0.00 0.00 51.96 50.95 1kpf s ALA 40 Cb 0.03 0.06 0.07 0.00 0.00 0.00 0.00 23.12 23.27 1kpf s ALA 40 CO -0.05 -0.05 0.59 -0.59 0.00 0.00 0.00 175.76 175.66 1kpf s PHE 41 N -1.75 -0.53 0.38 0.00 -0.12 -0.77 -1.04 117.98 114.15 1kpf s PHE 41 Ca -0.06 0.46 -0.26 0.00 -0.05 0.00 0.00 56.93 57.03 1kpf s PHE 41 Cb -0.07 0.49 -0.09 0.00 -0.63 0.00 0.00 43.02 42.72 1kpf s PHE 41 CO -0.00 -0.77 1.16 -1.01 -0.05 0.00 0.00 175.22 174.55 1kpf s HIS 42 N -3.13 3.13 0.23 3.49 3.76 -1.26 -0.24 115.29 121.27 1kpf s HIS 42 Ca -0.02 1.56 -0.30 0.00 -0.15 0.00 0.00 55.06 56.16 1kpf s HIS 42 Cb -0.01 -3.39 -0.09 0.00 1.11 0.00 0.00 32.58 30.21 1kpf s HIS 42 CO -0.07 -1.24 1.31 0.34 -0.85 0.00 0.00 174.74 174.23 1kpf s ASP 43 N -1.10 6.86 0.27 1.40 -1.08 -0.22 -4.82 116.67 117.98 1kpf s ASP 43 Ca 0.55 2.48 0.23 0.00 -0.52 0.00 0.00 52.55 55.30 1kpf s ASP 43 Cb -0.31 -2.62 1.01 0.00 -1.46 0.00 0.00 42.92 39.54 1kpf s ASP 43 CO 0.39 -0.53 1.70 0.00 0.52 0.00 0.00 175.17 177.25 1kpf n ILE 44 N 2.17 0.87 -3.30 4.11 3.06 -1.26 -3.29 119.36 121.72 1kpf n ILE 44 Ca 0.05 0.31 -0.25 0.00 -2.50 0.00 0.00 62.75 60.36 1kpf n ILE 44 Cb 0.42 -1.26 -0.08 0.00 0.54 0.00 0.00 39.64 39.27 1kpf n ILE 44 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1kpf n SER 45 N -2.24 1.11 -4.72 9.51 2.88 -1.26 -5.11 113.62 113.78 1kpf n SER 45 Ca 0.02 -2.86 -0.42 0.00 -1.33 0.00 0.00 58.87 54.27 1kpf n SER 45 Cb 0.20 -0.64 -0.03 0.00 -0.75 0.00 0.00 64.21 62.99 1kpf n SER 45 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1kpf s PRO 46 N -1.37 4.12 0.00 -1.46 0.04 -1.21 -4.91 135.00 130.21 1kpf s PRO 46 Ca 0.36 2.62 0.20 0.00 0.04 0.00 0.00 61.00 64.21 1kpf s PRO 46 Cb 0.14 -3.06 0.48 0.00 0.04 0.00 0.00 34.50 32.10 1kpf s PRO 46 CO -0.10 -0.74 1.40 1.04 0.04 0.00 0.00 177.00 178.64 1kpf n GLN 47 N 3.72 2.59 -3.47 4.56 1.13 -1.26 -4.94 117.38 119.71 1kpf n GLN 47 Ca 0.15 -2.35 -0.11 0.00 -1.94 0.00 0.00 57.00 52.74 1kpf n GLN 47 Cb 0.35 -1.47 -0.02 0.00 0.11 0.00 0.00 30.24 29.21 1kpf n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1kpf s ALA 48 N -1.13 -1.52 0.44 -1.58 0.00 -1.26 -5.04 121.76 111.68 1kpf s ALA 48 Ca 0.39 0.38 0.19 0.00 0.00 0.00 0.00 51.96 52.92 1kpf s ALA 48 Cb 0.21 0.88 1.14 0.00 0.00 0.00 0.00 23.12 25.35 1kpf s ALA 48 CO 0.28 -0.78 1.89 -1.35 0.00 0.00 0.00 175.76 175.79 1kpf h PRO 49 N 2.02 0.33 -4.98 0.00 0.11 -1.82 -3.33 132.00 124.33 1kpf h PRO 49 Ca -0.33 -0.02 -0.64 0.00 0.11 0.00 0.00 66.00 65.12 1kpf h PRO 49 Cb 1.30 -0.07 -0.35 0.00 0.11 0.00 0.00 31.00 31.99 1kpf h PRO 49 CO 0.37 0.22 -0.85 0.99 -0.21 0.00 0.00 178.00 178.51 1kpf s THR 50 N -5.34 1.83 -0.27 -1.15 2.01 -0.57 -5.01 115.64 107.14 1kpf s THR 50 Ca -0.08 -0.83 -0.00 0.00 0.31 0.00 0.00 61.69 61.09 1kpf s THR 50 Cb 0.22 -1.64 0.15 0.00 0.01 0.00 0.00 72.50 71.23 1kpf s THR 50 CO 0.77 0.50 0.41 -2.28 -0.69 0.00 0.00 174.62 173.34 1kpf s HIS 51 N 1.00 -0.98 0.24 4.92 5.04 -1.25 -1.27 115.29 122.99 1kpf s HIS 51 Ca -0.04 0.67 0.04 0.00 -1.54 0.00 0.00 55.06 54.19 1kpf s HIS 51 Cb -0.15 -0.02 -0.05 0.00 0.04 0.00 0.00 32.58 32.40 1kpf s HIS 51 CO -0.04 -0.86 -0.01 -0.59 -2.34 0.00 0.00 174.74 170.90 1kpf s PHE 52 N 2.57 1.64 0.12 3.88 -0.12 -0.62 -1.06 117.98 124.39 1kpf s PHE 52 Ca 0.12 -0.88 0.10 0.00 -0.05 0.00 0.00 56.93 56.22 1kpf s PHE 52 Cb -0.14 -0.95 -0.04 0.00 -0.63 0.00 0.00 43.02 41.26 1kpf s PHE 52 CO -0.23 0.02 -0.25 -0.51 -0.05 0.00 0.00 175.22 174.21 1kpf s LEU 53 N -3.33 2.39 -0.18 -1.99 1.43 0.67 -1.11 118.68 116.56 1kpf s LEU 53 Ca 0.29 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1kpf s LEU 53 Cb 0.05 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 45.00 1kpf s LEU 53 CO 0.09 0.19 -0.17 -0.69 0.23 0.00 0.00 176.35 176.00 1kpf s VAL 54 N -1.05 1.88 -0.02 -1.59 1.01 -0.21 -1.85 120.40 118.56 1kpf s VAL 54 Ca 0.15 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.30 1kpf s VAL 54 Cb -0.10 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 1kpf s VAL 54 CO 0.06 0.45 -0.20 0.27 0.00 0.00 0.00 175.10 175.68 1kpf s ILE 55 N 1.35 1.61 0.39 2.22 -4.36 -0.21 -1.29 121.20 120.92 1kpf s ILE 55 Ca 0.04 -0.87 -0.23 0.00 -0.26 0.00 0.00 60.65 59.32 1kpf s ILE 55 Cb -0.14 -1.34 -0.10 0.00 1.25 0.00 0.00 42.46 42.13 1kpf s ILE 55 CO -0.11 0.46 0.99 -2.16 0.24 0.00 0.00 174.94 174.35 1kpf s PRO 56 N -0.44 4.28 0.33 0.37 0.04 -1.26 -1.38 135.00 136.94 1kpf s PRO 56 Ca 0.07 1.32 0.09 0.00 0.04 0.00 0.00 61.00 62.52 1kpf s PRO 56 Cb -0.08 -2.47 0.56 0.00 0.04 0.00 0.00 34.50 32.55 1kpf s PRO 56 CO -0.00 -0.00 1.75 0.87 0.04 0.00 0.00 177.00 179.65 1kpf h LYS 57 N 2.44 0.14 -6.89 4.56 1.57 -1.51 -3.43 116.57 113.45 1kpf h LYS 57 Ca -0.48 -0.06 -0.51 0.00 -1.87 0.00 0.00 60.65 57.73 1kpf h LYS 57 Cb 1.20 -0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.55 1kpf h LYS 57 CO 0.62 0.52 0.54 0.21 -0.57 0.00 0.00 179.45 180.77 1kpf s LYS 58 N -4.15 4.31 -0.23 3.15 2.20 -1.26 -5.00 119.74 118.76 1kpf s LYS 58 Ca -0.04 1.95 -0.19 0.00 -0.36 0.00 0.00 55.97 57.33 1kpf s LYS 58 Cb 0.14 -2.94 -0.03 0.00 -1.51 0.00 0.00 37.83 33.49 1kpf s LYS 58 CO 0.75 -0.13 0.55 -1.58 -0.36 0.00 0.00 175.35 174.58 1kpf s HIS 59 N -1.26 3.32 -0.10 4.03 5.65 -1.26 -4.91 115.29 120.76 1kpf s HIS 59 Ca 0.51 0.75 -0.01 0.00 0.25 0.00 0.00 55.06 56.56 1kpf s HIS 59 Cb -0.34 -2.73 0.03 0.00 -1.18 0.00 0.00 32.58 28.36 1kpf s HIS 59 CO 0.44 -0.21 -0.02 0.42 -0.65 0.00 0.00 174.74 174.72 1kpf s ILE 60 N 2.04 0.61 0.28 0.89 1.01 -1.26 -5.06 121.20 119.71 1kpf s ILE 60 Ca 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.78 1kpf s ILE 60 Cb -0.16 -0.76 0.19 0.00 0.01 0.00 0.00 42.46 41.75 1kpf s ILE 60 CO 0.09 0.25 1.87 0.77 0.00 0.00 0.00 174.94 177.92 1kpf h SER 61 N 8.27 0.86 -5.00 3.58 4.64 -1.95 0.14 113.55 124.09 1kpf h SER 61 Ca -0.23 -0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 60.94 1kpf h SER 61 Cb 1.13 -0.22 -0.17 0.00 -0.31 0.00 0.00 62.40 62.82 1kpf h SER 61 CO 0.32 0.75 0.18 0.00 -0.87 0.00 0.00 176.83 177.21 1kpf s GLN 62 N -5.48 1.10 0.57 4.77 -2.07 -1.26 -2.25 119.66 115.03 1kpf s GLN 62 Ca -0.11 0.08 0.30 0.00 -1.82 0.00 0.00 55.36 53.81 1kpf s GLN 62 Cb 0.16 0.51 1.71 0.00 -1.09 0.00 0.00 33.01 34.30 1kpf s GLN 62 CO 0.80 -0.38 2.19 0.97 -1.32 0.00 0.00 175.29 177.55 1kpf h ILE 63 N 2.80 0.50 0.00 3.63 2.10 -1.91 -0.68 117.51 123.95 1kpf h ILE 63 Ca -0.29 -0.23 0.00 0.00 1.08 0.00 0.00 64.86 65.43 1kpf h ILE 63 Cb 1.18 1.15 0.00 0.00 -1.09 0.00 0.00 36.82 38.06 1kpf h ILE 63 CO 0.39 0.05 0.00 0.77 -1.08 0.00 0.00 178.15 178.28 1kpf h SER 64 N 0.00 0.00 -0.19 2.19 4.64 -1.99 -1.61 113.55 116.59 1kpf h SER 64 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kpf h SER 64 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1kpf h SER 64 CO 0.01 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.30 1kpf n VAL 65 N -2.56 0.54 -2.10 0.95 0.24 -0.27 -5.01 118.33 110.12 1kpf n VAL 65 Ca 0.00 -0.77 -0.37 0.00 -2.04 0.00 0.00 64.34 61.17 1kpf n VAL 65 Cb 0.17 0.84 0.01 0.00 -1.47 0.00 0.00 33.84 33.39 1kpf n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kpf s ALA 66 N -0.96 2.76 0.34 2.33 0.00 -0.61 -4.99 121.76 120.63 1kpf s ALA 66 Ca 0.18 1.01 0.05 0.00 0.00 0.00 0.00 51.96 53.19 1kpf s ALA 66 Cb 0.11 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 1kpf s ALA 66 CO 0.15 -0.96 0.49 -1.21 0.00 0.00 0.00 175.76 174.23 1kpf s GLU 67 N -3.04 3.21 0.31 0.00 2.02 -1.26 -4.99 118.70 114.95 1kpf s GLU 67 Ca 0.71 -0.80 0.05 0.00 0.02 0.00 0.00 54.97 54.95 1kpf s GLU 67 Cb -0.30 -2.77 0.69 0.00 0.10 0.00 0.00 34.13 31.84 1kpf s GLU 67 CO 0.35 0.08 1.83 -0.44 0.02 0.00 0.00 175.26 177.10 1kpf h ASP 68 N 0.84 0.80 0.40 -0.19 3.32 -2.02 0.09 116.42 119.67 1kpf h ASP 68 Ca -0.47 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1kpf h ASP 68 Cb 1.25 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1kpf h ASP 68 CO 0.56 0.39 0.00 0.47 -1.72 0.00 0.00 179.24 178.94 1kpf n ASP 69 N -4.63 0.00 -0.50 6.45 9.92 -1.26 -2.24 116.55 124.29 1kpf n ASP 69 Ca 0.20 0.50 0.14 0.00 -0.53 0.00 0.00 54.79 55.09 1kpf n ASP 69 Cb 0.45 -0.50 0.51 0.00 -0.64 0.00 0.00 41.12 40.94 1kpf n ASP 69 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1kpf n ASP 70 N -1.50 1.55 -0.23 -2.24 8.00 0.02 -4.49 116.55 117.67 1kpf n ASP 70 Ca 0.03 -1.51 0.02 0.00 0.71 0.00 0.00 54.79 54.04 1kpf n ASP 70 Cb 0.14 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.38 1kpf n ASP 70 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1kpf h GLU 71 N 2.43 0.37 -0.64 -1.24 5.08 -1.58 -1.18 114.58 117.81 1kpf h GLU 71 Ca 0.00 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1kpf h GLU 71 Cb 0.52 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1kpf h GLU 71 CO 0.00 0.25 0.10 0.66 -1.00 0.00 0.00 179.01 179.02 1kpf h SER 72 N 0.38 1.01 -0.32 1.42 4.64 -1.86 -0.50 113.55 118.33 1kpf h SER 72 Ca 0.36 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 1kpf h SER 72 Cb 0.51 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1kpf h SER 72 CO -0.38 1.00 0.15 0.25 -0.87 0.00 0.00 176.83 176.99 1kpf h LEU 73 N 0.99 0.42 -0.54 5.97 5.85 -1.68 0.12 115.31 126.43 1kpf h LEU 73 Ca 0.20 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1kpf h LEU 73 Cb 0.43 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1kpf h LEU 73 CO 0.01 0.42 0.35 -0.07 -0.34 0.00 0.00 178.44 178.81 1kpf h LEU 74 N 0.38 0.62 -1.06 2.25 3.38 -1.04 -1.74 115.31 118.10 1kpf h LEU 74 Ca 0.11 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1kpf h LEU 74 Cb 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1kpf h LEU 74 CO -0.01 0.46 0.07 1.23 0.09 0.00 0.00 178.44 180.28 1kpf h GLY 75 N 0.73 0.80 0.85 0.83 0.00 -0.86 -2.78 103.07 102.65 1kpf h GLY 75 Ca 0.20 -0.48 0.03 0.00 0.00 0.00 0.00 47.33 47.08 1kpf h GLY 75 CO -0.04 0.45 0.42 0.84 0.00 0.00 0.00 176.54 178.20 1kpf h HIS 76 N 0.72 0.78 -0.92 5.60 6.17 0.06 -1.19 115.15 126.37 1kpf h HIS 76 Ca 0.15 0.02 0.10 0.00 0.71 0.00 0.00 60.37 61.36 1kpf h HIS 76 Cb 0.33 -0.25 -0.08 0.00 2.52 0.00 0.00 27.41 29.93 1kpf h HIS 76 CO 0.02 0.44 0.56 -0.07 0.71 0.00 0.00 177.93 179.59 1kpf h LEU 77 N 0.81 0.83 -0.38 0.26 3.38 -1.08 0.74 115.31 119.87 1kpf h LEU 77 Ca 0.27 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.18 1kpf h LEU 77 Cb 0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1kpf h LEU 77 CO -0.11 0.47 -0.17 0.24 0.09 0.00 0.00 178.44 178.95 1kpf h MET 78 N 0.93 0.78 -0.73 1.13 2.86 -1.18 0.84 114.93 119.55 1kpf h MET 78 Ca 0.44 -0.33 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 1kpf h MET 78 Cb 0.38 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 1kpf h MET 78 CO -0.24 0.95 0.23 0.82 1.06 0.00 0.00 176.91 179.73 1kpf h ILE 79 N 0.58 1.26 -0.42 -1.22 1.08 -0.79 -0.01 117.51 117.99 1kpf h ILE 79 Ca 0.09 -0.91 -0.12 0.00 -0.39 0.00 0.00 64.86 63.53 1kpf h ILE 79 Cb 0.71 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 34.91 1kpf h ILE 79 CO 0.05 0.36 -0.19 0.58 -0.69 0.00 0.00 178.15 178.26 1kpf h VAL 80 N 1.09 1.28 -0.92 1.67 2.07 -0.82 -0.63 116.25 119.98 1kpf h VAL 80 Ca 0.24 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.43 1kpf h VAL 80 Cb 0.31 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1kpf h VAL 80 CO -0.01 0.45 0.61 1.23 0.02 0.00 0.00 177.57 179.87 1kpf h GLY 81 N 0.70 1.30 0.93 2.17 0.00 -0.57 0.37 103.07 107.98 1kpf h GLY 81 Ca 0.10 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1kpf h GLY 81 CO 0.06 0.48 -0.05 1.70 0.00 0.00 0.00 176.54 178.72 1kpf h LYS 82 N 1.25 -0.14 -0.39 4.80 3.64 -0.67 -0.53 116.57 124.53 1kpf h LYS 82 Ca 0.34 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.76 1kpf h LYS 82 Cb -0.14 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 1kpf h LYS 82 CO -0.07 -0.03 0.18 0.87 -2.27 0.00 0.00 179.45 178.12 1kpf h LYS 83 N -0.21 0.35 -0.67 1.90 1.57 -0.81 -1.96 116.57 116.73 1kpf h LYS 83 Ca -0.01 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1kpf h LYS 83 Cb 0.17 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1kpf h LYS 83 CO 0.02 0.23 0.31 0.00 -0.57 0.00 0.00 179.45 179.45 1kpf h ALA 85 N 1.14 1.33 -0.25 0.00 0.00 -0.85 0.12 119.26 120.76 1kpf h ALA 85 Ca 0.23 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1kpf h ALA 85 Cb 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1kpf h ALA 85 CO -0.03 0.40 -0.09 0.00 0.00 0.00 0.00 179.25 179.53 1kpf h ALA 86 N 1.44 0.35 -0.68 0.00 0.00 -0.82 -0.74 119.26 118.82 1kpf h ALA 86 Ca 0.42 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1kpf h ALA 86 Cb 0.17 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1kpf h ALA 86 CO -0.17 0.19 0.45 0.22 0.00 0.00 0.00 179.25 179.93 1kpf h ASP 87 N 0.24 0.63 -0.08 0.00 3.58 -0.31 -1.04 116.42 119.45 1kpf h ASP 87 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1kpf h ASP 87 Cb 0.58 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1kpf h ASP 87 CO 0.03 0.41 0.00 0.18 -2.88 0.00 0.00 179.24 176.98 1kpf n LEU 88 N -4.47 1.03 0.00 2.28 4.77 0.35 -4.94 117.00 116.02 1kpf n LEU 88 Ca 0.10 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1kpf n LEU 88 Cb 0.21 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1kpf n LEU 88 CO 0.34 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1kpf n GLY 89 N 1.04 0.46 2.39 -0.72 0.00 -0.39 -4.96 105.19 103.01 1kpf n GLY 89 Ca 0.17 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 1kpf n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kpf n LEU 90 N 0.00 7.94 0.02 0.99 4.77 -0.33 -4.66 117.00 125.74 1kpf n LEU 90 Ca 0.00 -4.53 0.08 0.00 -0.03 0.00 0.00 56.01 51.53 1kpf n LEU 90 Cb 0.27 -1.41 0.35 0.00 -2.33 0.00 0.00 43.42 40.30 1kpf n LEU 90 CO 0.00 2.01 0.76 -0.46 -1.33 0.00 0.00 177.39 178.37 1kpf n ASN 91 N 2.27 0.11 -0.98 -1.43 0.23 -1.26 -2.51 115.26 111.69 1kpf n ASN 91 Ca 0.65 0.53 0.12 0.00 -0.53 0.00 0.00 54.58 55.35 1kpf n ASN 91 Cb 0.32 -0.55 0.16 0.00 -2.08 0.00 0.00 39.78 37.63 1kpf n ASN 91 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1kpf n LYS 92 N -1.62 2.34 0.00 -3.83 4.81 -1.26 -5.07 118.16 113.52 1kpf n LYS 92 Ca 0.03 -1.97 0.00 0.00 -0.87 0.00 0.00 58.31 55.51 1kpf n LYS 92 Cb 0.19 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 33.76 1kpf n LYS 92 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1kpf n GLY 93 N 1.38 -1.08 3.89 3.14 0.00 -1.04 -5.08 105.19 106.40 1kpf n GLY 93 Ca 0.16 -2.25 -0.00 0.00 0.00 0.00 0.00 46.02 43.93 1kpf n GLY 93 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1kpf s TYR 94 N -0.94 0.03 -0.04 1.61 -0.85 -1.26 -4.50 117.35 111.39 1kpf s TYR 94 Ca 0.00 -0.27 0.03 0.00 -0.52 0.00 0.00 57.07 56.31 1kpf s TYR 94 Cb 0.00 0.62 0.00 0.00 0.38 0.00 0.00 41.96 42.96 1kpf s TYR 94 CO 0.00 -0.56 -0.13 0.50 -1.52 0.00 0.00 175.55 173.83 1kpf s ARG 95 N -2.19 1.49 -0.07 -3.49 3.52 0.79 -4.96 118.95 114.05 1kpf s ARG 95 Ca 0.24 -0.46 -0.03 0.00 -0.13 0.00 0.00 55.73 55.34 1kpf s ARG 95 Cb -0.01 -1.30 -0.04 0.00 -1.56 0.00 0.00 34.95 32.04 1kpf s ARG 95 CO 0.02 0.15 0.08 -1.64 -0.81 0.00 0.00 175.30 173.10 1kpf s MET 96 N 0.23 3.18 -0.06 5.12 -1.94 -1.26 -0.83 119.30 123.74 1kpf s MET 96 Ca -0.06 -0.34 -0.07 0.00 -1.71 0.00 0.00 55.69 53.51 1kpf s MET 96 Cb -0.11 -2.96 0.02 0.00 2.01 0.00 0.00 34.83 33.79 1kpf s MET 96 CO 0.02 0.71 0.20 0.08 -0.01 0.00 0.00 175.02 176.02 1kpf s VAL 97 N -1.05 0.01 -0.14 -6.03 1.01 -0.56 -4.95 120.40 108.68 1kpf s VAL 97 Ca 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1kpf s VAL 97 Cb -0.12 -0.31 0.04 0.00 0.00 0.00 0.00 36.38 35.98 1kpf s VAL 97 CO 0.07 -0.05 -0.05 -0.69 0.00 0.00 0.00 175.10 174.38 1kpf s VAL 98 N -0.11 0.97 -0.32 2.92 1.01 -1.26 -0.30 120.40 123.32 1kpf s VAL 98 Ca -0.02 -0.45 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 1kpf s VAL 98 Cb -0.02 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1kpf s VAL 98 CO 0.01 0.19 0.55 0.20 0.00 0.00 0.00 175.10 176.05 1kpf s ASN 99 N 1.70 6.40 -0.20 3.32 0.01 -1.26 -5.07 114.94 119.84 1kpf s ASN 99 Ca 0.02 0.24 -0.03 0.00 -0.71 0.00 0.00 52.86 52.39 1kpf s ASN 99 Cb -0.14 -2.29 -0.01 0.00 0.41 0.00 0.00 41.25 39.22 1kpf s ASN 99 CO -0.08 -0.44 -0.06 -0.70 -1.51 0.00 0.00 177.10 174.31 1kpf s GLU 100 N 2.45 3.36 1.73 -0.60 2.56 -1.26 -4.44 118.70 122.50 1kpf s GLU 100 Ca 0.21 -0.64 0.00 0.00 0.00 0.00 0.00 54.97 54.54 1kpf s GLU 100 Cb -0.15 -2.93 0.00 0.00 2.00 0.00 0.00 34.13 33.05 1kpf s GLU 100 CO 0.12 -0.13 0.00 0.41 -0.56 0.00 0.00 175.26 175.10 1kpf n GLY 101 N 4.59 -1.22 0.19 -1.50 0.00 -1.26 -1.92 105.19 104.06 1kpf n GLY 101 Ca -0.18 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 1kpf n GLY 101 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1kpf h SER 102 N -0.02 0.52 0.43 1.61 0.02 -1.95 -0.82 113.55 113.33 1kpf h SER 102 Ca 0.00 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.71 1kpf h SER 102 Cb 0.02 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1kpf h SER 102 CO 0.00 0.55 -0.35 0.44 -1.14 0.00 0.00 176.83 176.33 1kpf h ASP 103 N 0.47 0.00 1.29 3.07 3.32 -1.98 -2.30 116.42 120.29 1kpf h ASP 103 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1kpf h ASP 103 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1kpf h ASP 103 CO -0.01 0.35 0.00 0.61 -1.72 0.00 0.00 179.24 178.47 1kpf n GLY 104 N -0.40 -1.60 1.24 2.75 0.00 -0.81 -4.90 105.19 101.48 1kpf n GLY 104 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1kpf n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kpf n GLY 105 N 0.95 0.64 3.73 -0.02 0.00 -0.83 -4.32 105.19 105.35 1kpf n GLY 105 Ca 0.05 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1kpf n GLY 105 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1kpf s GLN 106 N -0.96 4.15 -0.06 1.61 0.74 -0.38 -4.91 119.66 119.84 1kpf s GLN 106 Ca 0.00 2.54 0.02 0.00 0.05 0.00 0.00 55.36 57.96 1kpf s GLN 106 Cb 0.00 -3.07 -0.05 0.00 1.10 0.00 0.00 33.01 30.99 1kpf s GLN 106 CO 0.00 -0.66 -0.04 0.43 -0.55 0.00 0.00 175.29 174.46 1kpf n SER 107 N 3.24 3.52 -4.28 6.67 7.64 -1.26 -4.79 113.62 124.36 1kpf n SER 107 Ca 0.12 -0.03 -0.35 0.00 1.01 0.00 0.00 58.87 59.62 1kpf n SER 107 Cb 0.37 0.08 -0.14 0.00 -1.01 0.00 0.00 64.21 63.51 1kpf n SER 107 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1kpf s VAL 108 N -2.14 3.32 -1.45 0.44 1.01 -1.26 -5.02 120.40 115.31 1kpf s VAL 108 Ca -0.08 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 1kpf s VAL 108 Cb 0.02 -2.60 0.04 0.00 0.00 0.00 0.00 36.38 33.85 1kpf s VAL 108 CO 0.17 0.30 2.47 -1.22 0.00 0.00 0.00 175.10 176.83 1kpf n TYR 109 N 4.77 2.75 -3.33 5.22 4.02 -1.26 -4.63 117.16 124.70 1kpf n TYR 109 Ca -0.17 -2.94 -0.08 0.00 -0.01 0.00 0.00 57.90 54.70 1kpf n TYR 109 Cb 0.49 -2.21 -0.07 0.00 -0.02 0.00 0.00 39.34 37.53 1kpf n TYR 109 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1kpf s HIS 110 N 1.03 -0.91 0.16 -0.72 2.46 -0.96 -4.21 115.29 112.14 1kpf s HIS 110 Ca 0.56 0.92 -0.32 0.00 0.47 0.00 0.00 55.06 56.68 1kpf s HIS 110 Cb 0.16 0.07 -0.17 0.00 -0.13 0.00 0.00 32.58 32.52 1kpf s HIS 110 CO -0.06 -0.74 0.96 0.28 -2.47 0.00 0.00 174.74 172.71 1kpf n VAL 111 N 5.37 1.17 -3.63 0.89 0.31 0.49 -4.95 118.33 117.97 1kpf n VAL 111 Ca -0.03 -0.29 -0.08 0.00 -0.01 0.00 0.00 64.34 63.92 1kpf n VAL 111 Cb 0.50 -0.50 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 1kpf n VAL 111 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1kpf s HIS 112 N -0.48 -0.32 -0.05 3.52 -3.43 -1.26 -4.21 115.29 109.05 1kpf s HIS 112 Ca 0.72 0.03 0.06 0.00 -0.80 0.00 0.00 55.06 55.07 1kpf s HIS 112 Cb -0.92 0.62 -0.01 0.00 -1.43 0.00 0.00 32.58 30.83 1kpf s HIS 112 CO 0.55 -0.91 -0.24 -1.17 -2.00 0.00 0.00 174.74 170.97 1kpf s LEU 113 N -2.79 2.13 0.09 5.38 2.96 -0.41 -4.62 118.68 121.42 1kpf s LEU 113 Ca 0.07 -0.48 -0.05 0.00 -0.22 0.00 0.00 54.13 53.45 1kpf s LEU 113 Cb -0.03 -1.39 -0.05 0.00 0.50 0.00 0.00 46.19 45.22 1kpf s LEU 113 CO -0.03 0.26 0.32 -1.00 -1.32 0.00 0.00 176.35 174.58 1kpf s HIS 114 N -0.25 3.52 -0.07 5.38 3.76 0.59 -1.04 115.29 127.17 1kpf s HIS 114 Ca -0.01 0.52 -0.01 0.00 -0.15 0.00 0.00 55.06 55.41 1kpf s HIS 114 Cb -0.13 -1.97 0.03 0.00 1.11 0.00 0.00 32.58 31.62 1kpf s HIS 114 CO 0.03 0.52 0.01 0.08 -0.85 0.00 0.00 174.74 174.52 1kpf s VAL 115 N -1.52 0.33 -0.08 -0.90 1.01 -0.27 -1.50 120.40 117.48 1kpf s VAL 115 Ca 0.36 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.50 1kpf s VAL 115 Cb -0.13 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.73 1kpf s VAL 115 CO 0.23 0.23 -0.21 -0.76 0.00 0.00 0.00 175.10 174.59 1kpf s LEU 116 N 1.99 1.97 0.00 3.92 1.02 -0.01 -1.59 118.68 125.98 1kpf s LEU 116 Ca 0.05 -0.47 -0.08 0.00 0.02 0.00 0.00 54.13 53.65 1kpf s LEU 116 Cb -0.12 -1.23 0.03 0.00 0.02 0.00 0.00 46.19 44.89 1kpf s LEU 116 CO -0.05 0.14 0.43 0.61 0.02 0.00 0.00 176.35 177.50 1kpf n GLY 117 N 3.46 1.47 0.90 -3.19 0.00 -0.39 -0.15 105.19 107.30 1kpf n GLY 117 Ca -0.20 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1kpf n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kpf n GLY 118 N -0.30 0.69 3.45 -0.02 0.00 -1.26 -1.51 105.19 106.25 1kpf n GLY 118 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 1kpf n GLY 118 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1kpf s ARG 119 N -0.68 1.14 0.05 1.61 1.70 -1.26 -4.68 118.95 116.83 1kpf s ARG 119 Ca 0.00 -0.35 -0.30 0.00 -0.47 0.00 0.00 55.73 54.61 1kpf s ARG 119 Cb 0.00 0.53 -0.08 0.00 -0.57 0.00 0.00 34.95 34.83 1kpf s ARG 119 CO 0.00 -0.48 1.74 -1.14 -1.08 0.00 0.00 175.30 174.34 1kpf s GLN 120 N -3.30 4.17 0.17 3.89 2.00 -1.26 -4.99 119.66 120.34 1kpf s GLN 120 Ca 0.01 2.40 -0.20 0.00 -2.00 0.00 0.00 55.36 55.57 1kpf s GLN 120 Cb -0.01 -3.78 -0.08 0.00 0.80 0.00 0.00 33.01 29.95 1kpf s GLN 120 CO -0.10 -0.82 0.68 -1.64 -0.50 0.00 0.00 175.29 172.92 1kpf s MET 121 N 3.26 4.27 0.62 1.67 -1.94 -1.26 -5.07 119.30 120.84 1kpf s MET 121 Ca 0.78 0.85 0.05 0.00 -1.71 0.00 0.00 55.69 55.66 1kpf s MET 121 Cb -0.40 -3.04 0.09 0.00 2.01 0.00 0.00 34.83 33.49 1kpf s MET 121 CO 0.34 0.49 0.85 -1.01 -0.01 0.00 0.00 175.02 175.69 1kpf s HIS 122 N -1.35 1.70 -0.01 -0.03 0.09 -1.26 -5.14 115.29 109.30 1kpf s HIS 122 Ca 0.38 -0.47 0.01 0.00 -0.00 0.00 0.00 55.06 54.98 1kpf s HIS 122 Cb -0.18 -2.58 0.00 0.00 -0.00 0.00 0.00 32.58 29.82 1kpf s HIS 122 CO 0.21 -1.29 -0.03 -0.46 -0.00 0.00 0.00 174.74 173.17 1kpf s TRP 123 N -2.84 0.29 1.00 1.40 -0.11 -1.26 -4.13 118.94 113.30 1kpf s TRP 123 Ca 0.63 -0.05 -0.12 0.00 1.22 0.00 0.00 56.10 57.78 1kpf s TRP 123 Cb -0.06 -0.21 0.19 0.00 -1.50 0.00 0.00 33.47 31.89 1kpf s TRP 123 CO 0.41 -0.02 1.08 -1.25 -4.62 0.00 0.00 176.95 172.54 1kpf s PRO 124 N 0.07 0.38 -0.80 5.86 0.04 -1.26 -5.03 135.00 134.26 1kpf s PRO 124 Ca -0.00 0.87 -0.06 0.00 0.04 0.00 0.00 61.00 61.84 1kpf s PRO 124 Cb -0.03 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.76 1kpf s PRO 124 CO -0.00 -2.86 2.96 -0.35 0.04 0.00 0.00 177.00 176.79 1kpf n PRO 125 N -4.32 3.11 -0.33 0.56 -0.04 -1.26 -5.21 135.00 127.52 1kpf n PRO 125 Ca 0.06 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.31 1kpf n PRO 125 Cb 0.55 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 1kpf n PRO 125 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87