#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kpe n GLY 15 N 0.00 3.05 0.67 -0.02 0.00 -1.26 -4.23 105.19 103.40 1kpe n GLY 15 Ca 0.00 -1.96 0.11 0.00 0.00 0.00 0.00 46.02 44.17 1kpe n GLY 15 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kpe n ASP 16 N 0.00 2.03 -3.27 1.61 5.68 -1.26 -4.38 116.55 116.96 1kpe n ASP 16 Ca 0.00 -1.75 -0.10 0.00 -0.50 0.00 0.00 54.79 52.45 1kpe n ASP 16 Cb 0.00 -0.11 0.02 0.00 -1.14 0.00 0.00 41.12 39.89 1kpe n ASP 16 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1kpe n THR 17 N 0.56 0.00 -0.15 2.12 -2.24 -1.26 -4.93 114.28 108.39 1kpe n THR 17 Ca 0.17 -0.89 -0.04 0.00 -2.27 0.00 0.00 64.05 61.02 1kpe n THR 17 Cb 0.40 -0.59 0.05 0.00 -2.10 0.00 0.00 70.33 68.09 1kpe n THR 17 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1kpe h ILE 18 N 0.25 0.83 -0.26 2.28 2.04 -1.98 -0.50 117.51 120.17 1kpe h ILE 18 Ca -0.13 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 1kpe h ILE 18 Cb 0.55 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1kpe h ILE 18 CO 0.20 0.06 -0.05 -0.26 0.00 0.00 0.00 178.15 178.10 1kpe h PHE 19 N 0.32 0.43 -0.61 1.37 0.04 -1.95 -0.53 116.94 116.01 1kpe h PHE 19 Ca 0.22 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.93 1kpe h PHE 19 Cb 0.23 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 1kpe h PHE 19 CO -0.17 0.47 0.32 0.78 -0.60 0.00 0.00 178.31 179.12 1kpe h GLY 20 N 0.79 0.91 1.60 -1.45 0.00 -1.33 -0.33 103.07 103.27 1kpe h GLY 20 Ca 0.08 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 1kpe h GLY 20 CO 0.01 0.41 -0.07 0.50 0.00 0.00 0.00 176.54 177.39 1kpe h LYS 21 N 0.83 0.49 -0.21 4.80 1.57 -0.28 -1.72 116.57 122.06 1kpe h LYS 21 Ca 0.21 -0.12 -0.19 0.00 -1.87 0.00 0.00 60.65 58.68 1kpe h LYS 21 Cb 0.06 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1kpe h LYS 21 CO -0.03 0.57 -0.62 0.82 -0.57 0.00 0.00 179.45 179.62 1kpe h ILE 22 N 0.46 1.30 -0.66 1.86 2.04 -0.63 0.25 117.51 122.13 1kpe h ILE 22 Ca 0.09 -1.85 -0.06 0.00 1.00 0.00 0.00 64.86 64.04 1kpe h ILE 22 Cb 0.41 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 1kpe h ILE 22 CO 0.02 0.59 0.17 0.40 0.00 0.00 0.00 178.15 179.33 1kpe h ILE 23 N 0.53 1.26 -0.05 -0.67 2.04 -0.72 -2.37 117.51 117.53 1kpe h ILE 23 Ca -0.01 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1kpe h ILE 23 Cb 1.21 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1kpe h ILE 23 CO 0.13 0.35 0.00 0.54 0.00 0.00 0.00 178.15 179.17 1kpe n ARG 24 N -4.30 1.14 -2.21 2.37 1.74 -0.68 -4.88 116.66 109.85 1kpe n ARG 24 Ca 0.04 -0.19 -0.13 0.00 -0.77 0.00 0.00 57.85 56.80 1kpe n ARG 24 Cb 0.24 -1.12 -0.02 0.00 -1.02 0.00 0.00 32.46 30.55 1kpe n ARG 24 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1kpe n LYS 25 N -0.29 -1.98 0.11 5.56 5.02 -0.89 -4.86 118.16 120.83 1kpe n LYS 25 Ca 0.02 0.67 -0.22 0.00 -2.02 0.00 0.00 58.31 56.76 1kpe n LYS 25 Cb 0.09 -5.20 -0.13 0.00 -0.02 0.00 0.00 35.03 29.77 1kpe n LYS 25 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1kpe h GLU 26 N 0.00 0.55 -6.75 1.97 5.08 -1.18 -3.44 114.58 110.81 1kpe h GLU 26 Ca -0.30 -0.79 -0.69 0.00 -1.00 0.00 0.00 59.36 56.57 1kpe h GLU 26 Cb 1.15 0.27 -0.25 0.00 0.50 0.00 0.00 28.75 30.43 1kpe h GLU 26 CO 0.37 1.36 -0.87 0.96 -1.00 0.00 0.00 179.01 179.84 1kpe s ILE 27 N -2.86 2.28 0.76 3.13 -4.36 -1.16 -5.04 121.20 113.95 1kpe s ILE 27 Ca -0.08 -1.43 -0.13 0.00 -0.26 0.00 0.00 60.65 58.75 1kpe s ILE 27 Cb 0.06 -1.92 0.06 0.00 1.25 0.00 0.00 42.46 41.90 1kpe s ILE 27 CO 0.93 0.31 1.13 -2.84 0.24 0.00 0.00 174.94 174.71 1kpe s PRO 28 N -1.44 2.13 -0.22 0.37 0.02 -1.26 -4.48 135.00 130.12 1kpe s PRO 28 Ca 0.13 1.44 -0.27 0.00 0.02 0.00 0.00 61.00 62.31 1kpe s PRO 28 Cb -0.10 -1.86 0.11 0.00 0.02 0.00 0.00 34.50 32.67 1kpe s PRO 28 CO 0.03 -1.78 0.95 0.00 -0.33 0.00 0.00 177.00 175.87 1kpe s ALA 29 N -2.50 -1.92 -0.62 -1.55 0.00 -1.26 -4.99 121.76 108.93 1kpe s ALA 29 Ca 0.67 1.75 -0.22 0.00 0.00 0.00 0.00 51.96 54.16 1kpe s ALA 29 Cb -0.22 -1.04 0.07 0.00 0.00 0.00 0.00 23.12 21.93 1kpe s ALA 29 CO 0.50 -0.28 0.89 0.21 0.00 0.00 0.00 175.76 177.07 1kpe s LYS 30 N -0.29 3.13 0.13 0.00 2.20 -1.26 -5.01 119.74 118.64 1kpe s LYS 30 Ca -0.00 -0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 54.46 1kpe s LYS 30 Cb -0.03 -4.20 -0.06 0.00 -1.51 0.00 0.00 37.83 32.02 1kpe s LYS 30 CO -0.01 -1.67 1.04 0.42 -0.36 0.00 0.00 175.35 174.76 1kpe s ILE 31 N 3.68 4.21 -0.20 5.43 -1.09 -1.26 -1.58 121.20 130.40 1kpe s ILE 31 Ca 0.21 1.83 0.09 0.00 -2.23 0.00 0.00 60.65 60.54 1kpe s ILE 31 Cb -0.18 -4.17 -0.18 0.00 -1.58 0.00 0.00 42.46 36.35 1kpe s ILE 31 CO 0.11 0.28 -0.06 -0.38 -1.23 0.00 0.00 174.94 173.65 1kpe n ILE 32 N 2.76 1.24 -3.55 2.92 5.41 0.16 -4.96 119.36 123.34 1kpe n ILE 32 Ca 0.03 -0.62 -0.16 0.00 1.00 0.00 0.00 62.75 63.00 1kpe n ILE 32 Cb 0.48 -0.90 -0.06 0.00 -0.71 0.00 0.00 39.64 38.45 1kpe n ILE 32 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1kpe s PHE 33 N -2.43 -0.66 -0.13 1.39 5.36 -1.04 -5.00 117.98 115.47 1kpe s PHE 33 Ca -0.19 1.27 -0.11 0.00 -0.96 0.00 0.00 56.93 56.94 1kpe s PHE 33 Cb 0.06 0.38 0.04 0.00 -0.34 0.00 0.00 43.02 43.16 1kpe s PHE 33 CO 0.62 -0.53 0.34 -2.00 -1.46 0.00 0.00 175.22 172.19 1kpe s GLU 34 N -0.79 0.37 0.14 10.12 2.12 -1.26 -0.73 118.70 128.66 1kpe s GLU 34 Ca -0.07 0.52 0.02 0.00 0.36 0.00 0.00 54.97 55.79 1kpe s GLU 34 Cb -0.01 0.12 -0.01 0.00 0.26 0.00 0.00 34.13 34.49 1kpe s GLU 34 CO 0.07 -0.08 0.15 -0.40 -0.54 0.00 0.00 175.26 174.46 1kpe n ASP 35 N 3.26 -0.40 0.31 -1.70 5.68 -0.98 -5.02 116.55 117.70 1kpe n ASP 35 Ca -0.16 -1.86 0.20 0.00 -0.50 0.00 0.00 54.79 52.47 1kpe n ASP 35 Cb 0.57 0.83 0.98 0.00 -1.14 0.00 0.00 41.12 42.36 1kpe n ASP 35 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1kpe h ASP 36 N 0.83 0.00 0.00 -1.12 2.03 -2.04 -3.28 116.42 112.85 1kpe h ASP 36 Ca -0.10 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 55.97 1kpe h ASP 36 Cb 0.49 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.95 1kpe h ASP 36 CO 0.15 0.02 -1.99 0.54 -1.03 0.00 0.00 179.24 176.92 1kpe n ARG 37 N -3.18 1.35 -4.09 4.15 1.74 -1.26 -4.85 116.66 110.51 1kpe n ARG 37 Ca -0.02 -0.03 -0.14 0.00 -0.77 0.00 0.00 57.85 56.89 1kpe n ARG 37 Cb 0.17 -1.39 -0.05 0.00 -1.02 0.00 0.00 32.46 30.17 1kpe n ARG 37 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kpe s LEU 39 N -3.23 0.98 -0.15 0.00 2.96 0.09 -2.31 118.68 117.03 1kpe s LEU 39 Ca 0.31 0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.46 1kpe s LEU 39 Cb -0.00 0.28 0.00 0.00 0.50 0.00 0.00 46.19 46.97 1kpe s LEU 39 CO 0.20 -0.12 -0.18 0.00 -1.32 0.00 0.00 176.35 174.93 1kpe s ALA 40 N 0.91 2.40 0.08 5.97 0.00 0.09 -1.00 121.76 130.21 1kpe s ALA 40 Ca -0.07 -1.08 -0.05 0.00 0.00 0.00 0.00 51.96 50.76 1kpe s ALA 40 Cb -0.09 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 1kpe s ALA 40 CO -0.04 -0.06 0.09 -0.59 0.00 0.00 0.00 175.76 175.15 1kpe s PHE 41 N 0.87 0.38 0.28 0.00 -0.71 -0.32 0.38 117.98 118.85 1kpe s PHE 41 Ca -0.05 -0.85 -0.29 0.00 -1.04 0.00 0.00 56.93 54.69 1kpe s PHE 41 Cb -0.15 -0.24 -0.10 0.00 -1.21 0.00 0.00 43.02 41.33 1kpe s PHE 41 CO -0.02 -0.48 1.09 -1.01 -1.34 0.00 0.00 175.22 173.47 1kpe s HIS 42 N -3.91 3.59 0.15 3.49 3.76 -0.61 0.25 115.29 122.01 1kpe s HIS 42 Ca 0.08 1.71 -0.30 0.00 -0.15 0.00 0.00 55.06 56.39 1kpe s HIS 42 Cb 0.06 -3.27 -0.07 0.00 1.11 0.00 0.00 32.58 30.41 1kpe s HIS 42 CO -0.09 -0.52 1.04 0.34 -0.85 0.00 0.00 174.74 174.67 1kpe s ASP 43 N -0.90 7.37 0.00 1.40 -1.08 -0.01 -4.68 116.67 118.77 1kpe s ASP 43 Ca 0.45 1.97 0.25 0.00 -0.52 0.00 0.00 52.55 54.70 1kpe s ASP 43 Cb -0.32 -2.60 1.22 0.00 -1.46 0.00 0.00 42.92 39.77 1kpe s ASP 43 CO 0.41 -0.15 1.84 2.30 0.52 0.00 0.00 175.17 180.08 1kpe n ILE 44 N 2.51 0.22 -3.19 4.11 -5.35 -1.26 -3.58 119.36 112.81 1kpe n ILE 44 Ca 0.02 0.05 -0.24 0.00 -0.27 0.00 0.00 62.75 62.32 1kpe n ILE 44 Cb 0.47 -0.63 -0.06 0.00 -1.74 0.00 0.00 39.64 37.68 1kpe n ILE 44 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1kpe n SER 45 N -1.34 2.33 -4.68 7.28 7.64 -1.26 -5.11 113.62 118.48 1kpe n SER 45 Ca 0.11 -3.21 -0.43 0.00 1.01 0.00 0.00 58.87 56.35 1kpe n SER 45 Cb 0.22 -0.62 -0.00 0.00 -1.01 0.00 0.00 64.21 62.80 1kpe n SER 45 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1kpe n PRO 46 N 0.58 1.93 -0.20 1.43 -0.04 -1.24 -4.91 135.00 132.56 1kpe n PRO 46 Ca 0.27 0.68 0.06 0.00 -0.04 0.00 0.00 63.50 64.47 1kpe n PRO 46 Cb 0.50 -2.24 0.17 0.00 -0.04 0.00 0.00 33.50 31.89 1kpe n PRO 46 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1kpe n GLN 47 N 0.49 2.86 -3.61 0.54 1.13 -1.26 -4.96 117.38 112.58 1kpe n GLN 47 Ca 0.06 -2.12 -0.10 0.00 -1.94 0.00 0.00 57.00 52.91 1kpe n GLN 47 Cb 0.36 -1.30 -0.02 0.00 0.11 0.00 0.00 30.24 29.39 1kpe n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1kpe s ALA 48 N -1.01 -1.45 0.25 -1.58 0.00 -1.26 -5.02 121.76 111.69 1kpe s ALA 48 Ca 0.26 0.16 -0.05 0.00 0.00 0.00 0.00 51.96 52.33 1kpe s ALA 48 Cb 0.13 0.87 0.49 0.00 0.00 0.00 0.00 23.12 24.61 1kpe s ALA 48 CO 0.17 -0.88 1.67 -1.35 0.00 0.00 0.00 175.76 175.37 1kpe h PRO 49 N 2.00 0.21 -5.10 0.00 0.11 -1.81 -3.35 132.00 124.07 1kpe h PRO 49 Ca -0.28 -0.01 -0.66 0.00 0.11 0.00 0.00 66.00 65.16 1kpe h PRO 49 Cb 1.28 -0.05 -0.28 0.00 0.11 0.00 0.00 31.00 32.07 1kpe h PRO 49 CO 0.32 0.14 -0.74 0.99 -0.21 0.00 0.00 178.00 178.49 1kpe s THR 50 N -6.05 3.19 -0.24 -1.15 2.01 -0.44 -5.03 115.64 107.93 1kpe s THR 50 Ca -0.13 -0.57 -0.03 0.00 0.31 0.00 0.00 61.69 61.27 1kpe s THR 50 Cb 0.22 -2.41 0.12 0.00 0.01 0.00 0.00 72.50 70.44 1kpe s THR 50 CO 0.76 0.46 0.32 -2.28 -0.69 0.00 0.00 174.62 173.19 1kpe s HIS 51 N 1.13 -0.61 0.24 4.92 5.04 -1.26 -0.32 115.29 124.43 1kpe s HIS 51 Ca 0.01 0.47 0.06 0.00 -1.54 0.00 0.00 55.06 54.07 1kpe s HIS 51 Cb -0.14 -0.18 -0.05 0.00 0.04 0.00 0.00 32.58 32.24 1kpe s HIS 51 CO -0.02 -0.72 -0.07 -0.59 -2.34 0.00 0.00 174.74 171.00 1kpe s PHE 52 N 2.45 1.79 0.09 3.88 -0.71 -0.48 -0.83 117.98 124.16 1kpe s PHE 52 Ca 0.10 -0.71 0.08 0.00 -1.04 0.00 0.00 56.93 55.36 1kpe s PHE 52 Cb -0.15 -0.97 -0.04 0.00 -1.21 0.00 0.00 43.02 40.65 1kpe s PHE 52 CO -0.18 0.24 -0.16 -0.51 -1.34 0.00 0.00 175.22 173.27 1kpe s LEU 53 N -3.37 2.78 -0.22 -1.99 1.43 0.14 -0.93 118.68 116.51 1kpe s LEU 53 Ca 0.27 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1kpe s LEU 53 Cb 0.03 -1.62 0.05 0.00 0.03 0.00 0.00 46.19 44.68 1kpe s LEU 53 CO 0.09 0.20 -0.07 -0.69 0.23 0.00 0.00 176.35 176.12 1kpe s VAL 54 N -1.09 1.52 0.08 -1.59 1.01 -0.34 -1.18 120.40 118.81 1kpe s VAL 54 Ca 0.18 -1.12 0.09 0.00 0.00 0.00 0.00 61.98 61.13 1kpe s VAL 54 Cb -0.11 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1kpe s VAL 54 CO 0.09 -0.01 -0.21 0.27 0.00 0.00 0.00 175.10 175.25 1kpe s ILE 55 N 1.41 2.63 0.39 2.22 -4.36 -0.17 -0.97 121.20 122.35 1kpe s ILE 55 Ca -0.04 -1.41 -0.23 0.00 -0.26 0.00 0.00 60.65 58.71 1kpe s ILE 55 Cb -0.18 -2.14 -0.10 0.00 1.25 0.00 0.00 42.46 41.29 1kpe s ILE 55 CO -0.07 0.23 0.99 -2.16 0.24 0.00 0.00 174.94 174.16 1kpe s PRO 56 N -1.74 4.29 0.28 0.37 0.04 -1.26 -0.73 135.00 136.25 1kpe s PRO 56 Ca 0.15 1.32 0.10 0.00 0.04 0.00 0.00 61.00 62.62 1kpe s PRO 56 Cb -0.10 -2.48 0.38 0.00 0.04 0.00 0.00 34.50 32.34 1kpe s PRO 56 CO 0.06 0.00 1.63 0.87 0.04 0.00 0.00 177.00 179.60 1kpe h LYS 57 N 2.46 0.02 -6.65 4.56 1.57 -1.02 -3.43 116.57 114.08 1kpe h LYS 57 Ca -0.48 -0.01 -0.52 0.00 -1.87 0.00 0.00 60.65 57.76 1kpe h LYS 57 Cb 1.20 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.54 1kpe h LYS 57 CO 0.62 0.61 0.62 0.21 -0.57 0.00 0.00 179.45 180.95 1kpe s LYS 58 N -3.67 4.41 -0.86 3.15 2.20 -1.26 -4.56 119.74 119.16 1kpe s LYS 58 Ca -0.02 1.98 -0.24 0.00 -0.36 0.00 0.00 55.97 57.34 1kpe s LYS 58 Cb 0.13 -3.22 0.06 0.00 -1.51 0.00 0.00 37.83 33.28 1kpe s LYS 58 CO 0.76 -0.22 1.27 -1.58 -0.36 0.00 0.00 175.35 175.22 1kpe s HIS 59 N 0.22 2.55 -0.26 4.03 5.65 -1.26 -4.94 115.29 121.29 1kpe s HIS 59 Ca 0.56 -0.62 -0.10 0.00 0.25 0.00 0.00 55.06 55.16 1kpe s HIS 59 Cb -0.35 -4.55 -0.05 0.00 -1.18 0.00 0.00 32.58 26.45 1kpe s HIS 59 CO 0.36 -1.88 0.16 0.42 -0.65 0.00 0.00 174.74 173.16 1kpe s ILE 60 N 4.76 5.18 0.30 0.89 1.01 -1.26 -5.00 121.20 127.07 1kpe s ILE 60 Ca 0.37 0.12 0.17 0.00 0.00 0.00 0.00 60.65 61.31 1kpe s ILE 60 Cb -0.06 -3.44 0.13 0.00 0.01 0.00 0.00 42.46 39.11 1kpe s ILE 60 CO 0.01 0.30 1.82 0.77 0.00 0.00 0.00 174.94 177.84 1kpe h SER 61 N 7.98 0.00 -4.42 3.58 4.64 -1.93 0.31 113.55 123.71 1kpe h SER 61 Ca -0.37 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.03 1kpe h SER 61 Cb 1.18 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.08 1kpe h SER 61 CO 0.60 0.35 0.49 0.00 -0.87 0.00 0.00 176.83 177.40 1kpe s GLN 62 N -3.93 0.73 0.57 4.77 -2.07 -1.26 -2.10 119.66 116.37 1kpe s GLN 62 Ca -0.02 -0.03 0.29 0.00 -1.82 0.00 0.00 55.36 53.79 1kpe s GLN 62 Cb 0.13 0.34 1.72 0.00 -1.09 0.00 0.00 33.01 34.11 1kpe s GLN 62 CO 0.69 -0.27 2.20 0.97 -1.32 0.00 0.00 175.29 177.56 1kpe h ILE 63 N 2.37 0.52 0.00 3.63 6.09 -1.89 -2.20 117.51 126.03 1kpe h ILE 63 Ca -0.21 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.10 1kpe h ILE 63 Cb 1.19 1.12 0.00 0.00 0.47 0.00 0.00 36.82 39.60 1kpe h ILE 63 CO 0.32 0.04 0.00 0.77 -3.07 0.00 0.00 178.15 176.21 1kpe h SER 64 N 0.00 0.00 -0.47 2.19 4.64 -1.98 -2.21 113.55 115.73 1kpe h SER 64 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kpe h SER 64 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1kpe h SER 64 CO 0.01 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.30 1kpe n VAL 65 N -2.71 0.97 -2.07 0.95 0.24 -0.83 -4.99 118.33 109.89 1kpe n VAL 65 Ca 0.02 -0.98 -0.39 0.00 -2.04 0.00 0.00 64.34 60.94 1kpe n VAL 65 Cb 0.29 0.53 -0.01 0.00 -1.47 0.00 0.00 33.84 33.18 1kpe n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kpe s ALA 66 N -1.01 3.27 0.50 2.33 0.00 -0.83 -4.99 121.76 121.02 1kpe s ALA 66 Ca 0.32 1.22 -0.02 0.00 0.00 0.00 0.00 51.96 53.49 1kpe s ALA 66 Cb 0.17 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1kpe s ALA 66 CO 0.22 -0.81 0.75 -1.21 0.00 0.00 0.00 175.76 174.71 1kpe s GLU 67 N -2.22 3.02 0.51 0.00 2.02 -1.26 -4.97 118.70 115.80 1kpe s GLU 67 Ca 0.57 -0.33 0.16 0.00 0.02 0.00 0.00 54.97 55.39 1kpe s GLU 67 Cb -0.38 -2.46 1.26 0.00 0.10 0.00 0.00 34.13 32.65 1kpe s GLU 67 CO 0.49 -0.41 2.13 -0.44 0.02 0.00 0.00 175.26 177.04 1kpe h ASP 68 N 0.21 0.03 1.42 -0.19 5.19 -2.02 -0.47 116.42 120.59 1kpe h ASP 68 Ca -0.46 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1kpe h ASP 68 Cb 1.25 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1kpe h ASP 68 CO 0.58 0.02 0.00 0.44 -3.12 0.00 0.00 179.24 177.16 1kpe h ASP 69 N 0.03 0.00 0.00 6.45 3.32 -2.03 -2.98 116.42 121.22 1kpe h ASP 69 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1kpe h ASP 69 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1kpe h ASP 69 CO -0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 1kpe n ASP 70 N -2.72 0.00 -0.01 6.45 8.00 -0.18 -4.10 116.55 123.98 1kpe n ASP 70 Ca 0.03 -0.76 0.02 0.00 0.71 0.00 0.00 54.79 54.79 1kpe n ASP 70 Cb 0.40 0.00 0.37 0.00 -0.02 0.00 0.00 41.12 41.87 1kpe n ASP 70 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1kpe h GLU 71 N 0.00 0.56 -0.42 -1.24 4.11 -1.65 -1.54 114.58 114.40 1kpe h GLU 71 Ca 0.00 -0.06 -0.09 0.00 0.07 0.00 0.00 59.36 59.28 1kpe h GLU 71 Cb 0.00 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1kpe h GLU 71 CO 0.00 0.44 -0.09 0.77 0.07 0.00 0.00 179.01 180.20 1kpe h SER 72 N 0.57 0.81 -0.84 3.06 0.02 -1.88 -1.22 113.55 114.07 1kpe h SER 72 Ca 0.14 -0.36 -0.04 0.00 -0.84 0.00 0.00 61.79 60.70 1kpe h SER 72 Cb 0.06 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 1kpe h SER 72 CO -0.02 0.98 0.39 0.25 -1.14 0.00 0.00 176.83 177.29 1kpe h LEU 73 N 0.63 1.12 -0.16 5.07 5.85 -1.69 0.30 115.31 126.43 1kpe h LEU 73 Ca 0.11 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1kpe h LEU 73 Cb 0.62 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 1kpe h LEU 73 CO 0.04 0.95 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.95 1kpe h LEU 74 N 1.21 0.33 -1.61 2.25 3.38 -1.15 -1.68 115.31 118.04 1kpe h LEU 74 Ca 0.29 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1kpe h LEU 74 Cb 0.14 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1kpe h LEU 74 CO -0.03 0.66 -0.20 1.23 0.09 0.00 0.00 178.44 180.19 1kpe h GLY 75 N -0.00 0.00 1.17 0.83 0.00 -1.07 -2.17 103.07 101.82 1kpe h GLY 75 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 1kpe h GLY 75 CO 0.02 0.00 0.07 0.84 0.00 0.00 0.00 176.54 177.47 1kpe h HIS 76 N 0.00 1.07 -0.84 5.60 -0.00 -0.58 -0.51 115.15 119.89 1kpe h HIS 76 Ca -0.00 -0.15 0.04 0.00 -0.00 0.00 0.00 60.37 60.26 1kpe h HIS 76 Cb 0.37 -0.29 -0.05 0.00 -0.00 0.00 0.00 27.41 27.43 1kpe h HIS 76 CO 0.00 0.92 0.55 -0.07 -0.00 0.00 0.00 177.93 179.33 1kpe h LEU 77 N 0.94 0.88 -0.13 0.26 3.38 -0.64 -0.06 115.31 119.94 1kpe h LEU 77 Ca 0.18 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.91 1kpe h LEU 77 Cb 0.45 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1kpe h LEU 77 CO 0.02 0.60 -0.99 0.24 0.09 0.00 0.00 178.44 178.40 1kpe h MET 78 N 1.02 0.37 -0.47 1.13 2.86 -1.31 -0.68 114.93 117.84 1kpe h MET 78 Ca 0.34 -0.43 -0.11 0.00 -2.06 0.00 0.00 59.70 57.44 1kpe h MET 78 Cb 0.06 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1kpe h MET 78 CO -0.10 1.11 -0.13 0.82 1.06 0.00 0.00 176.91 179.67 1kpe h ILE 79 N 0.19 1.27 -0.39 -1.22 1.08 -0.68 -1.00 117.51 116.76 1kpe h ILE 79 Ca -0.09 -1.27 -0.14 0.00 -0.39 0.00 0.00 64.86 62.98 1kpe h ILE 79 Cb 1.64 1.10 -0.01 0.00 -3.07 0.00 0.00 36.82 36.49 1kpe h ILE 79 CO 0.17 0.44 -0.29 0.58 -0.69 0.00 0.00 178.15 178.36 1kpe h VAL 80 N 0.77 1.28 -0.63 1.67 2.07 -1.05 -1.95 116.25 118.40 1kpe h VAL 80 Ca 0.12 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 1kpe h VAL 80 Cb 0.69 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1kpe h VAL 80 CO 0.05 0.48 0.35 1.23 0.02 0.00 0.00 177.57 179.70 1kpe h GLY 81 N 0.69 0.94 1.46 2.17 0.00 -1.01 0.12 103.07 107.44 1kpe h GLY 81 Ca 0.07 -0.43 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 1kpe h GLY 81 CO 0.08 0.41 -0.42 0.07 0.00 0.00 0.00 176.54 176.67 1kpe h LYS 82 N 0.86 0.60 -0.16 4.80 2.10 -1.06 -0.74 116.57 122.96 1kpe h LYS 82 Ca 0.22 -0.31 -0.02 0.00 -2.00 0.00 0.00 60.65 58.54 1kpe h LYS 82 Cb 0.04 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.37 1kpe h LYS 82 CO -0.04 0.91 0.02 0.87 -2.00 0.00 0.00 179.45 179.21 1kpe h LYS 83 N 0.49 0.28 -0.80 0.07 1.57 -1.04 -1.53 116.57 115.61 1kpe h LYS 83 Ca 0.04 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1kpe h LYS 83 Cb 0.94 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.18 1kpe h LYS 83 CO 0.08 0.45 0.41 0.00 -0.57 0.00 0.00 179.45 179.82 1kpe h ALA 85 N 1.32 0.89 -0.61 0.00 0.00 -1.00 0.12 119.26 119.99 1kpe h ALA 85 Ca 0.28 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1kpe h ALA 85 Cb 0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1kpe h ALA 85 CO -0.04 0.64 -0.01 0.00 0.00 0.00 0.00 179.25 179.84 1kpe h ALA 86 N 1.06 0.82 -0.32 0.00 0.00 -0.77 -0.74 119.26 119.30 1kpe h ALA 86 Ca 0.21 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1kpe h ALA 86 Cb 0.41 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1kpe h ALA 86 CO 0.01 0.67 -0.10 -0.44 0.00 0.00 0.00 179.25 179.39 1kpe h ASP 87 N 0.97 0.52 -0.07 0.00 3.32 -0.40 -1.76 116.42 119.01 1kpe h ASP 87 Ca 0.17 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1kpe h ASP 87 Cb 0.57 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1kpe h ASP 87 CO 0.03 0.66 0.00 0.18 -1.72 0.00 0.00 179.24 178.39 1kpe n LEU 88 N -4.21 0.45 -1.48 1.55 4.77 0.36 -4.90 117.00 113.54 1kpe n LEU 88 Ca 0.01 -0.21 -0.11 0.00 -0.03 0.00 0.00 56.01 55.67 1kpe n LEU 88 Cb 0.31 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.37 1kpe n LEU 88 CO 0.40 0.10 -0.06 0.61 -1.33 0.00 0.00 177.39 177.12 1kpe n GLY 89 N 0.75 -0.00 2.64 -0.72 0.00 -0.66 -4.96 105.19 102.23 1kpe n GLY 89 Ca 0.08 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 1kpe n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kpe n LEU 90 N -1.91 7.45 0.05 0.99 4.77 -0.30 -4.71 117.00 123.34 1kpe n LEU 90 Ca -0.09 -4.66 0.13 0.00 -0.03 0.00 0.00 56.01 51.35 1kpe n LEU 90 Cb 0.58 -1.46 0.50 0.00 -2.33 0.00 0.00 43.42 40.71 1kpe n LEU 90 CO 0.20 1.69 0.90 -0.46 -1.33 0.00 0.00 177.39 178.40 1kpe n ASN 91 N 3.22 0.36 0.03 -1.43 0.23 -1.26 -3.23 115.26 113.17 1kpe n ASN 91 Ca 0.54 0.54 0.11 0.00 -0.53 0.00 0.00 54.58 55.24 1kpe n ASN 91 Cb 0.31 -0.64 0.06 0.00 -2.08 0.00 0.00 39.78 37.43 1kpe n ASN 91 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1kpe n LYS 92 N -1.84 0.24 0.00 -3.83 5.02 -1.26 -5.06 118.16 111.42 1kpe n LYS 92 Ca 0.06 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1kpe n LYS 92 Cb 0.34 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1kpe n LYS 92 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kpe n GLY 93 N 1.39 2.12 3.80 0.72 0.00 -1.20 -5.09 105.19 106.93 1kpe n GLY 93 Ca 0.03 -1.98 -0.03 0.00 0.00 0.00 0.00 46.02 44.04 1kpe n GLY 93 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1kpe s TYR 94 N -1.58 -0.03 -0.03 1.61 -0.85 -1.26 -4.29 117.35 110.93 1kpe s TYR 94 Ca 0.00 -0.30 0.03 0.00 -0.52 0.00 0.00 57.07 56.28 1kpe s TYR 94 Cb 0.00 0.66 -0.00 0.00 0.38 0.00 0.00 41.96 43.00 1kpe s TYR 94 CO 0.00 -0.82 -0.12 0.50 -1.52 0.00 0.00 175.55 173.59 1kpe s ARG 95 N -2.70 1.21 -0.10 -3.49 3.52 0.12 -4.96 118.95 112.54 1kpe s ARG 95 Ca 0.17 -0.42 -0.02 0.00 -0.13 0.00 0.00 55.73 55.33 1kpe s ARG 95 Cb -0.01 -1.10 -0.03 0.00 -1.56 0.00 0.00 34.95 32.24 1kpe s ARG 95 CO 0.03 0.18 0.00 -1.64 -0.81 0.00 0.00 175.30 173.06 1kpe s MET 96 N 0.07 3.13 -0.02 5.12 -1.94 -1.26 -1.14 119.30 123.27 1kpe s MET 96 Ca -0.02 -0.41 0.00 0.00 -1.71 0.00 0.00 55.69 53.55 1kpe s MET 96 Cb -0.09 -2.84 0.02 0.00 2.01 0.00 0.00 34.83 33.93 1kpe s MET 96 CO 0.01 0.62 0.02 0.08 -0.01 0.00 0.00 175.02 175.74 1kpe s VAL 97 N -0.66 -0.01 -0.14 -6.03 1.01 -0.23 -4.96 120.40 109.39 1kpe s VAL 97 Ca 0.11 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1kpe s VAL 97 Cb -0.12 -0.09 0.02 0.00 0.00 0.00 0.00 36.38 36.19 1kpe s VAL 97 CO 0.02 0.07 -0.16 -0.69 0.00 0.00 0.00 175.10 174.35 1kpe s VAL 98 N 0.78 1.64 -0.18 2.92 1.01 -1.26 0.02 120.40 125.33 1kpe s VAL 98 Ca -0.07 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 1kpe s VAL 98 Cb -0.10 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 1kpe s VAL 98 CO -0.02 0.47 0.14 0.20 0.00 0.00 0.00 175.10 175.89 1kpe s ASN 99 N 1.25 6.26 -0.13 3.32 0.01 -1.26 -5.08 114.94 119.31 1kpe s ASN 99 Ca 0.00 0.30 0.03 0.00 -0.71 0.00 0.00 52.86 52.48 1kpe s ASN 99 Cb -0.14 -2.09 0.01 0.00 0.41 0.00 0.00 41.25 39.44 1kpe s ASN 99 CO -0.07 0.23 -0.22 -0.70 -1.51 0.00 0.00 177.10 174.83 1kpe s GLU 100 N 0.04 2.98 2.04 -0.60 2.56 -1.26 -4.57 118.70 119.89 1kpe s GLU 100 Ca 0.10 -0.84 0.00 0.00 0.00 0.00 0.00 54.97 54.23 1kpe s GLU 100 Cb -0.11 -2.37 0.00 0.00 2.00 0.00 0.00 34.13 33.65 1kpe s GLU 100 CO -0.00 0.03 0.00 0.41 -0.56 0.00 0.00 175.26 175.14 1kpe n GLY 101 N 3.94 -0.12 0.41 -1.50 0.00 -1.26 -1.53 105.19 105.14 1kpe n GLY 101 Ca -0.20 -0.84 -0.17 0.00 0.00 0.00 0.00 46.02 44.81 1kpe n GLY 101 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1kpe h SER 102 N 0.00 -1.01 0.15 1.61 0.87 -1.97 -0.53 113.55 112.68 1kpe h SER 102 Ca 0.00 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 1kpe h SER 102 Cb 0.00 0.32 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1kpe h SER 102 CO 0.00 -0.57 -0.14 0.44 -0.53 0.00 0.00 176.83 176.03 1kpe h ASP 103 N -0.89 0.00 1.15 6.23 3.32 -1.97 -0.50 116.42 123.77 1kpe h ASP 103 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1kpe h ASP 103 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1kpe h ASP 103 CO 0.02 0.14 0.00 0.61 -1.72 0.00 0.00 179.24 178.28 1kpe n GLY 104 N -1.10 -1.54 2.09 2.75 0.00 -0.58 -4.92 105.19 101.90 1kpe n GLY 104 Ca -0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 1kpe n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kpe n GLY 105 N 1.18 0.18 3.65 -0.02 0.00 -0.20 -4.32 105.19 105.66 1kpe n GLY 105 Ca 0.06 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1kpe n GLY 105 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1kpe s GLN 106 N -4.30 4.23 -0.11 1.61 0.74 -0.29 -4.90 119.66 116.64 1kpe s GLN 106 Ca 0.01 1.10 0.13 0.00 0.05 0.00 0.00 55.36 56.65 1kpe s GLN 106 Cb -0.00 -3.63 -0.19 0.00 1.10 0.00 0.00 33.01 30.29 1kpe s GLN 106 CO 0.01 -0.53 0.11 -1.13 -0.55 0.00 0.00 175.29 173.20 1kpe n SER 107 N 6.01 1.51 -4.43 6.67 3.41 -1.26 -4.63 113.62 120.90 1kpe n SER 107 Ca 0.08 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.32 1kpe n SER 107 Cb 0.47 1.03 -0.13 0.00 -0.26 0.00 0.00 64.21 65.33 1kpe n SER 107 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1kpe s VAL 108 N -2.50 4.17 -1.40 -3.33 1.01 -1.26 -5.02 120.40 112.07 1kpe s VAL 108 Ca -0.07 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 1kpe s VAL 108 Cb 0.05 -2.94 0.08 0.00 0.00 0.00 0.00 36.38 33.57 1kpe s VAL 108 CO 0.59 0.36 2.25 -1.22 0.00 0.00 0.00 175.10 177.08 1kpe n TYR 109 N 4.86 2.98 -3.63 5.22 4.01 -1.26 -4.68 117.16 124.66 1kpe n TYR 109 Ca -0.16 -2.90 -0.03 0.00 -0.16 0.00 0.00 57.90 54.64 1kpe n TYR 109 Cb 0.51 -2.21 -0.06 0.00 -0.31 0.00 0.00 39.34 37.27 1kpe n TYR 109 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1kpe s HIS 110 N 1.32 -1.19 -0.06 -0.72 2.46 -0.89 -4.38 115.29 111.82 1kpe s HIS 110 Ca 0.49 2.04 -0.39 0.00 0.47 0.00 0.00 55.06 57.68 1kpe s HIS 110 Cb 0.14 0.64 -0.17 0.00 -0.13 0.00 0.00 32.58 33.05 1kpe s HIS 110 CO -0.05 -0.62 1.41 0.28 -2.47 0.00 0.00 174.74 173.28 1kpe n VAL 111 N 5.43 0.07 -4.15 0.89 0.31 0.11 -4.89 118.33 116.10 1kpe n VAL 111 Ca -0.10 -0.01 -0.17 0.00 -0.01 0.00 0.00 64.34 64.04 1kpe n VAL 111 Cb 0.49 -0.74 -0.12 0.00 -0.91 0.00 0.00 33.84 32.57 1kpe n VAL 111 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1kpe s HIS 112 N 1.32 1.10 -0.24 3.52 -3.43 -1.26 -4.15 115.29 112.14 1kpe s HIS 112 Ca 0.91 -0.46 -0.07 0.00 -0.80 0.00 0.00 55.06 54.63 1kpe s HIS 112 Cb -1.09 -0.62 -0.03 0.00 -1.43 0.00 0.00 32.58 29.41 1kpe s HIS 112 CO 0.56 0.03 0.07 -1.17 -2.00 0.00 0.00 174.74 172.22 1kpe s LEU 113 N -1.68 3.45 0.03 5.38 2.96 -0.15 -4.52 118.68 124.16 1kpe s LEU 113 Ca -0.04 -0.19 -0.23 0.00 -0.22 0.00 0.00 54.13 53.45 1kpe s LEU 113 Cb -0.10 -1.92 -0.06 0.00 0.50 0.00 0.00 46.19 44.61 1kpe s LEU 113 CO 0.02 -0.02 0.69 -1.00 -1.32 0.00 0.00 176.35 174.72 1kpe s HIS 114 N 1.54 3.73 -0.15 5.38 3.76 0.10 -1.20 115.29 128.45 1kpe s HIS 114 Ca 0.06 1.36 0.00 0.00 -0.15 0.00 0.00 55.06 56.33 1kpe s HIS 114 Cb -0.15 -2.72 0.03 0.00 1.11 0.00 0.00 32.58 30.85 1kpe s HIS 114 CO 0.04 0.33 -0.11 0.08 -0.85 0.00 0.00 174.74 174.23 1kpe s VAL 115 N -0.21 1.39 -0.04 -0.90 1.01 -0.11 -1.06 120.40 120.48 1kpe s VAL 115 Ca 0.35 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.78 1kpe s VAL 115 Cb -0.20 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1kpe s VAL 115 CO 0.21 0.35 -0.23 -0.76 0.00 0.00 0.00 175.10 174.67 1kpe s LEU 116 N 1.55 2.03 0.24 3.92 1.02 -0.29 -1.38 118.68 125.76 1kpe s LEU 116 Ca 0.03 -0.44 -0.21 0.00 0.02 0.00 0.00 54.13 53.54 1kpe s LEU 116 Cb -0.14 -1.21 0.06 0.00 0.02 0.00 0.00 46.19 44.93 1kpe s LEU 116 CO -0.09 0.25 0.92 -0.83 0.02 0.00 0.00 176.35 176.62 1kpe s GLY 117 N -0.30 0.09 0.00 -3.19 0.00 0.56 -0.70 107.32 103.77 1kpe s GLY 117 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.40 1kpe s GLY 117 CO 0.01 0.88 0.00 0.61 0.00 0.00 0.00 173.10 174.60 1kpe n GLY 118 N -0.58 0.61 3.76 0.20 0.00 -1.26 -1.33 105.19 106.59 1kpe n GLY 118 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 1kpe n GLY 118 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1kpe s ARG 119 N -0.97 1.71 -0.06 1.61 1.70 -1.26 -4.62 118.95 117.06 1kpe s ARG 119 Ca 0.00 -1.09 -0.30 0.00 -0.47 0.00 0.00 55.73 53.87 1kpe s ARG 119 Cb 0.00 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.91 1kpe s ARG 119 CO 0.00 -0.76 1.19 -1.14 -1.08 0.00 0.00 175.30 173.51 1kpe s GLN 120 N -3.93 4.35 0.18 3.89 2.00 -1.26 -4.97 119.66 119.92 1kpe s GLN 120 Ca 0.15 1.66 -0.17 0.00 -2.00 0.00 0.00 55.36 55.00 1kpe s GLN 120 Cb -0.04 -3.56 -0.08 0.00 0.80 0.00 0.00 33.01 30.13 1kpe s GLN 120 CO 0.08 -0.45 0.63 -1.64 -0.50 0.00 0.00 175.29 173.40 1kpe s MET 121 N 2.26 4.10 0.42 1.67 -1.94 -1.26 -5.08 119.30 119.46 1kpe s MET 121 Ca 0.55 0.66 0.08 0.00 -1.71 0.00 0.00 55.69 55.27 1kpe s MET 121 Cb -0.24 -2.91 -0.02 0.00 2.01 0.00 0.00 34.83 33.67 1kpe s MET 121 CO 0.21 0.44 0.38 -1.01 -0.01 0.00 0.00 175.02 175.03 1kpe s HIS 122 N -1.49 2.71 -0.06 -0.03 0.09 -1.26 -5.13 115.29 110.13 1kpe s HIS 122 Ca 0.40 -0.49 0.06 0.00 -0.00 0.00 0.00 55.06 55.03 1kpe s HIS 122 Cb -0.16 -2.17 -0.01 0.00 -0.00 0.00 0.00 32.58 30.25 1kpe s HIS 122 CO 0.20 -0.12 -0.23 -0.46 -0.00 0.00 0.00 174.74 174.13 1kpe s TRP 123 N -2.47 2.29 0.75 1.40 -0.00 -1.26 -3.94 118.94 115.71 1kpe s TRP 123 Ca 0.48 -0.70 -0.11 0.00 -0.00 0.00 0.00 56.10 55.77 1kpe s TRP 123 Cb -0.03 -1.51 0.04 0.00 -0.00 0.00 0.00 33.47 31.97 1kpe s TRP 123 CO 0.28 -0.23 1.08 -1.25 -0.00 0.00 0.00 176.95 176.83 1kpe s PRO 124 N -0.07 2.47 -1.29 5.86 0.04 -1.26 -5.02 135.00 135.74 1kpe s PRO 124 Ca -0.05 0.89 -0.08 0.00 0.04 0.00 0.00 61.00 61.80 1kpe s PRO 124 Cb -0.14 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 1kpe s PRO 124 CO 0.04 -1.41 2.56 -0.35 0.04 0.00 0.00 177.00 177.88 1kpe n PRO 125 N -3.33 2.94 -0.49 0.56 -0.04 -1.25 -5.22 135.00 128.16 1kpe n PRO 125 Ca 0.08 -1.85 0.00 0.00 -0.04 0.00 0.00 63.50 61.69 1kpe n PRO 125 Cb 0.54 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1kpe n PRO 125 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87