#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kpb n GLY 15 N 0.00 2.11 1.77 -0.02 0.00 -1.26 -4.14 105.19 103.64 1kpb n GLY 15 Ca 0.00 -2.06 -0.19 0.00 0.00 0.00 0.00 46.02 43.78 1kpb n GLY 15 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kpb n ASP 16 N 0.00 4.55 -4.51 1.61 5.68 -1.26 -4.44 116.55 118.18 1kpb n ASP 16 Ca 0.00 -3.78 -0.26 0.00 -0.50 0.00 0.00 54.79 50.26 1kpb n ASP 16 Cb 0.00 -0.62 -0.10 0.00 -1.14 0.00 0.00 41.12 39.26 1kpb n ASP 16 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1kpb s THR 17 N -4.08 1.40 0.56 2.12 -4.23 -1.26 -4.99 115.64 105.14 1kpb s THR 17 Ca 0.52 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.34 1kpb s THR 17 Cb 0.43 -2.73 0.35 0.00 1.34 0.00 0.00 72.50 71.89 1kpb s THR 17 CO 0.01 0.00 2.23 -0.29 -0.54 0.00 0.00 174.62 176.03 1kpb h ILE 18 N 1.86 0.48 -0.07 2.99 2.10 -1.99 -0.66 117.51 122.21 1kpb h ILE 18 Ca -0.42 -0.12 -0.13 0.00 1.08 0.00 0.00 64.86 65.27 1kpb h ILE 18 Cb 1.26 1.08 -0.01 0.00 -1.09 0.00 0.00 36.82 38.05 1kpb h ILE 18 CO 0.73 0.03 -0.53 -0.26 -1.08 0.00 0.00 178.15 177.03 1kpb h PHE 19 N 0.00 0.26 -0.57 2.19 0.04 -1.94 -2.42 116.94 114.50 1kpb h PHE 19 Ca -0.00 -0.09 -0.09 0.00 2.80 0.00 0.00 57.97 60.60 1kpb h PHE 19 Cb 0.08 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 1kpb h PHE 19 CO 0.00 0.69 0.01 0.78 -0.60 0.00 0.00 178.31 179.20 1kpb h GLY 20 N 1.41 1.05 1.47 -1.45 0.00 -1.27 -1.86 103.07 102.41 1kpb h GLY 20 Ca 0.00 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.53 1kpb h GLY 20 CO 0.08 0.68 -0.04 0.50 0.00 0.00 0.00 176.54 177.75 1kpb h LYS 21 N 0.89 0.65 -0.21 4.80 1.57 -1.33 -1.05 116.57 121.90 1kpb h LYS 21 Ca 0.17 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1kpb h LYS 21 Cb 0.51 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1kpb h LYS 21 CO 0.02 0.70 -0.15 0.82 -0.57 0.00 0.00 179.45 180.28 1kpb h ILE 22 N 0.61 1.32 -0.61 1.86 2.04 -1.33 0.55 117.51 121.95 1kpb h ILE 22 Ca 0.12 -1.27 0.05 0.00 1.00 0.00 0.00 64.86 64.76 1kpb h ILE 22 Cb 0.45 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 38.17 1kpb h ILE 22 CO 0.02 0.39 0.33 0.40 0.00 0.00 0.00 178.15 179.29 1kpb h ILE 23 N 0.16 0.98 0.00 -0.67 2.04 -1.00 -0.78 117.51 118.24 1kpb h ILE 23 Ca 0.04 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1kpb h ILE 23 Cb 0.67 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1kpb h ILE 23 CO 0.04 0.12 0.00 0.54 0.00 0.00 0.00 178.15 178.85 1kpb n ARG 24 N -4.81 0.90 -1.94 2.37 1.74 -0.43 -4.86 116.66 109.63 1kpb n ARG 24 Ca 0.07 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.94 1kpb n ARG 24 Cb 0.15 -1.31 -0.06 0.00 -1.02 0.00 0.00 32.46 30.23 1kpb n ARG 24 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1kpb n LYS 25 N -0.81 -1.56 0.09 5.56 4.76 -0.30 -4.88 118.16 121.03 1kpb n LYS 25 Ca 0.13 1.14 -0.05 0.00 -2.87 0.00 0.00 58.31 56.66 1kpb n LYS 25 Cb 0.06 -5.64 0.11 0.00 -1.84 0.00 0.00 35.03 27.72 1kpb n LYS 25 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1kpb h GLU 26 N 0.00 0.20 -5.66 1.97 5.08 -0.12 -3.44 114.58 112.62 1kpb h GLU 26 Ca -0.46 -0.15 -0.47 0.00 -1.00 0.00 0.00 59.36 57.29 1kpb h GLU 26 Cb 1.36 0.03 -0.21 0.00 0.50 0.00 0.00 28.75 30.43 1kpb h GLU 26 CO 0.61 0.77 -0.79 0.96 -1.00 0.00 0.00 179.01 179.55 1kpb s ILE 27 N -3.68 1.38 0.64 3.13 -4.36 -1.10 -5.01 121.20 112.20 1kpb s ILE 27 Ca -0.03 -1.47 -0.14 0.00 -0.26 0.00 0.00 60.65 58.75 1kpb s ILE 27 Cb 0.12 -1.33 -0.01 0.00 1.25 0.00 0.00 42.46 42.48 1kpb s ILE 27 CO 0.80 -0.20 1.06 -2.16 0.24 0.00 0.00 174.94 174.68 1kpb s PRO 28 N -1.96 3.09 0.10 0.37 0.04 -1.26 -4.48 135.00 130.90 1kpb s PRO 28 Ca 0.03 1.14 -0.14 0.00 0.04 0.00 0.00 61.00 62.07 1kpb s PRO 28 Cb -0.09 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.47 1kpb s PRO 28 CO 0.03 -0.99 0.33 0.00 0.04 0.00 0.00 177.00 176.41 1kpb s ALA 29 N -2.66 -0.69 -1.25 8.56 0.00 -1.26 -5.00 121.76 119.47 1kpb s ALA 29 Ca 0.62 -0.21 -0.11 0.00 0.00 0.00 0.00 51.96 52.26 1kpb s ALA 29 Cb -0.16 0.58 0.17 0.00 0.00 0.00 0.00 23.12 23.71 1kpb s ALA 29 CO 0.44 -0.57 1.69 1.63 0.00 0.00 0.00 175.76 178.95 1kpb n LYS 30 N -0.07 3.54 -1.81 0.00 5.02 -1.26 -4.96 118.16 118.62 1kpb n LYS 30 Ca -0.16 -3.69 -0.42 0.00 -2.02 0.00 0.00 58.31 52.02 1kpb n LYS 30 Cb 0.63 -2.96 -0.03 0.00 -0.02 0.00 0.00 35.03 32.65 1kpb n LYS 30 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1kpb s ILE 31 N 0.75 2.84 -0.24 -0.18 1.01 -1.26 -1.65 121.20 122.47 1kpb s ILE 31 Ca 0.41 0.25 -0.14 0.00 0.00 0.00 0.00 60.65 61.17 1kpb s ILE 31 Cb 0.04 -3.16 -0.16 0.00 0.01 0.00 0.00 42.46 39.19 1kpb s ILE 31 CO 0.01 -0.00 -0.10 -0.38 0.00 0.00 0.00 174.94 174.46 1kpb n ILE 32 N 4.86 1.55 -3.69 2.92 5.41 0.53 -4.94 119.36 126.00 1kpb n ILE 32 Ca 0.17 -0.32 -0.11 0.00 1.00 0.00 0.00 62.75 63.49 1kpb n ILE 32 Cb 0.40 -1.86 -0.06 0.00 -0.71 0.00 0.00 39.64 37.40 1kpb n ILE 32 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1kpb s PHE 33 N -2.47 -0.16 -0.19 1.39 2.19 -1.00 -4.99 117.98 112.76 1kpb s PHE 33 Ca -0.34 -0.07 -0.22 0.00 0.33 0.00 0.00 56.93 56.63 1kpb s PHE 33 Cb 0.11 0.18 0.06 0.00 -1.31 0.00 0.00 43.02 42.05 1kpb s PHE 33 CO 0.56 -0.61 0.59 -2.00 1.83 0.00 0.00 175.22 175.58 1kpb s GLU 34 N -3.25 0.74 0.00 10.12 2.12 -1.26 -0.23 118.70 126.93 1kpb s GLU 34 Ca -0.00 0.69 0.00 0.00 0.36 0.00 0.00 54.97 56.02 1kpb s GLU 34 Cb 0.01 0.36 0.00 0.00 0.26 0.00 0.00 34.13 34.76 1kpb s GLU 34 CO -0.08 -0.12 0.00 -0.40 -0.54 0.00 0.00 175.26 174.12 1kpb n ASP 35 N 2.43 0.09 0.09 -1.70 5.68 -0.95 -5.03 116.55 117.15 1kpb n ASP 35 Ca -0.15 -0.53 0.11 0.00 -0.50 0.00 0.00 54.79 53.73 1kpb n ASP 35 Cb 0.56 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 40.98 1kpb n ASP 35 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1kpb n ASP 36 N -1.53 0.49 0.00 -1.12 5.75 -1.26 -4.04 116.55 114.83 1kpb n ASP 36 Ca 0.00 0.60 0.00 0.00 -0.01 0.00 0.00 54.79 55.38 1kpb n ASP 36 Cb 0.00 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 39.38 1kpb n ASP 36 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1kpb n ARG 37 N -2.02 0.92 -3.83 0.11 1.85 -1.26 -4.94 116.66 107.49 1kpb n ARG 37 Ca 0.03 -0.18 -0.09 0.00 -1.00 0.00 0.00 57.85 56.60 1kpb n ARG 37 Cb 0.25 -0.61 -0.04 0.00 -1.05 0.00 0.00 32.46 31.01 1kpb n ARG 37 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1kpb s LEU 39 N -2.92 1.26 -0.04 0.00 2.96 0.51 -2.23 118.68 118.22 1kpb s LEU 39 Ca 0.13 0.19 0.05 0.00 -0.22 0.00 0.00 54.13 54.29 1kpb s LEU 39 Cb -0.00 0.25 -0.02 0.00 0.50 0.00 0.00 46.19 46.92 1kpb s LEU 39 CO 0.01 -0.09 -0.20 0.00 -1.32 0.00 0.00 176.35 174.75 1kpb s ALA 40 N 0.59 2.43 -0.09 5.97 0.00 0.67 -0.37 121.76 130.97 1kpb s ALA 40 Ca -0.04 -1.04 -0.30 0.00 0.00 0.00 0.00 51.96 50.58 1kpb s ALA 40 Cb -0.06 -0.79 0.08 0.00 0.00 0.00 0.00 23.12 22.34 1kpb s ALA 40 CO -0.02 0.53 0.72 -0.59 0.00 0.00 0.00 175.76 176.40 1kpb s PHE 41 N -0.62 -0.64 0.34 0.00 -0.12 -0.45 -0.34 117.98 116.15 1kpb s PHE 41 Ca 0.09 1.15 -0.29 0.00 -0.05 0.00 0.00 56.93 57.84 1kpb s PHE 41 Cb -0.11 0.40 -0.11 0.00 -0.63 0.00 0.00 43.02 42.58 1kpb s PHE 41 CO 0.00 -0.55 1.44 -1.01 -0.05 0.00 0.00 175.22 175.05 1kpb s HIS 42 N -1.01 2.80 -0.00 3.49 3.76 -0.66 -0.71 115.29 122.96 1kpb s HIS 42 Ca -0.09 1.18 -0.30 0.00 -0.15 0.00 0.00 55.06 55.70 1kpb s HIS 42 Cb -0.01 -3.90 -0.06 0.00 1.11 0.00 0.00 32.58 29.73 1kpb s HIS 42 CO 0.08 -2.67 1.53 0.34 -0.85 0.00 0.00 174.74 173.18 1kpb s ASP 43 N -0.11 6.74 0.49 1.40 -1.08 -0.38 -4.64 116.67 119.08 1kpb s ASP 43 Ca 0.54 2.23 0.30 0.00 -0.52 0.00 0.00 52.55 55.10 1kpb s ASP 43 Cb -0.44 -2.55 1.62 0.00 -1.46 0.00 0.00 42.92 40.08 1kpb s ASP 43 CO 0.56 -0.82 1.90 -0.29 0.52 0.00 0.00 175.17 177.03 1kpb h ILE 44 N 5.08 0.00 -2.20 4.11 2.10 -1.92 -3.04 117.51 121.64 1kpb h ILE 44 Ca -0.39 0.00 -0.58 0.00 1.08 0.00 0.00 64.86 64.97 1kpb h ILE 44 Cb 1.18 0.66 -0.40 0.00 -1.09 0.00 0.00 36.82 37.17 1kpb h ILE 44 CO 0.93 0.00 -0.87 -0.24 -1.08 0.00 0.00 178.15 176.89 1kpb n SER 45 N -2.60 1.61 -4.73 2.19 2.88 -1.26 -5.12 113.62 106.60 1kpb n SER 45 Ca -0.02 -2.97 -0.42 0.00 -1.33 0.00 0.00 58.87 54.13 1kpb n SER 45 Cb 0.13 -0.65 -0.02 0.00 -0.75 0.00 0.00 64.21 62.91 1kpb n SER 45 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1kpb n PRO 46 N 1.41 2.57 -0.30 -1.46 -0.04 -1.15 -4.94 135.00 131.10 1kpb n PRO 46 Ca 0.25 0.92 0.07 0.00 -0.04 0.00 0.00 63.50 64.70 1kpb n PRO 46 Cb 0.47 -2.69 0.22 0.00 -0.04 0.00 0.00 33.50 31.46 1kpb n PRO 46 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1kpb n GLN 47 N 2.39 2.97 -3.63 0.54 1.13 -1.26 -4.96 117.38 114.56 1kpb n GLN 47 Ca 0.10 -2.36 -0.07 0.00 -1.94 0.00 0.00 57.00 52.73 1kpb n GLN 47 Cb 0.35 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 29.21 1kpb n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1kpb s ALA 48 N -1.39 -1.60 0.37 -1.58 0.00 -1.26 -5.03 121.76 111.27 1kpb s ALA 48 Ca 0.33 0.36 0.12 0.00 0.00 0.00 0.00 51.96 52.77 1kpb s ALA 48 Cb 0.20 0.67 0.92 0.00 0.00 0.00 0.00 23.12 24.91 1kpb s ALA 48 CO 0.18 -0.89 1.84 -1.35 0.00 0.00 0.00 175.76 175.55 1kpb h PRO 49 N 2.00 0.57 -4.65 0.00 0.11 -1.82 -3.33 132.00 124.88 1kpb h PRO 49 Ca -0.25 -0.03 -0.58 0.00 0.11 0.00 0.00 66.00 65.25 1kpb h PRO 49 Cb 1.25 -0.13 -0.35 0.00 0.11 0.00 0.00 31.00 31.88 1kpb h PRO 49 CO 0.29 0.38 -0.83 0.99 -0.21 0.00 0.00 178.00 178.62 1kpb s THR 50 N -5.61 1.46 -0.26 -1.15 2.01 -1.06 -5.03 115.64 106.01 1kpb s THR 50 Ca -0.09 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 1kpb s THR 50 Cb 0.23 -1.37 0.13 0.00 0.01 0.00 0.00 72.50 71.50 1kpb s THR 50 CO 0.79 0.44 0.30 -2.28 -0.69 0.00 0.00 174.62 173.18 1kpb s HIS 51 N 1.27 -0.52 0.38 4.92 2.46 -1.25 -1.60 115.29 120.94 1kpb s HIS 51 Ca -0.01 0.15 0.04 0.00 0.47 0.00 0.00 55.06 55.71 1kpb s HIS 51 Cb -0.14 -0.33 -0.05 0.00 -0.13 0.00 0.00 32.58 31.94 1kpb s HIS 51 CO -0.06 -0.81 0.06 -0.59 -2.47 0.00 0.00 174.74 170.88 1kpb s PHE 52 N 2.40 1.98 0.00 3.88 -0.12 -0.49 -1.25 117.98 124.38 1kpb s PHE 52 Ca 0.09 -1.00 0.04 0.00 -0.05 0.00 0.00 56.93 56.02 1kpb s PHE 52 Cb -0.15 -1.35 -0.01 0.00 -0.63 0.00 0.00 43.02 40.88 1kpb s PHE 52 CO -0.24 0.01 -0.14 -0.51 -0.05 0.00 0.00 175.22 174.29 1kpb s LEU 53 N -3.59 2.06 -0.17 -1.99 1.43 0.11 -1.35 118.68 115.18 1kpb s LEU 53 Ca 0.30 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1kpb s LEU 53 Cb 0.07 -0.70 0.02 0.00 0.03 0.00 0.00 46.19 45.61 1kpb s LEU 53 CO 0.14 0.14 -0.19 -0.69 0.23 0.00 0.00 176.35 175.98 1kpb s VAL 54 N -0.44 1.98 0.04 -1.59 1.01 -0.76 -1.34 120.40 119.30 1kpb s VAL 54 Ca 0.05 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.20 1kpb s VAL 54 Cb -0.06 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 1kpb s VAL 54 CO -0.00 0.53 -0.17 0.27 0.00 0.00 0.00 175.10 175.72 1kpb s ILE 55 N 1.31 1.37 0.46 2.22 -4.36 0.50 -1.83 121.20 120.86 1kpb s ILE 55 Ca 0.05 -1.09 -0.21 0.00 -0.26 0.00 0.00 60.65 59.14 1kpb s ILE 55 Cb -0.13 -1.21 -0.09 0.00 1.25 0.00 0.00 42.46 42.28 1kpb s ILE 55 CO -0.12 0.10 1.01 -2.16 0.24 0.00 0.00 174.94 174.01 1kpb s PRO 56 N -1.15 3.97 0.35 0.37 0.04 -1.26 -0.36 135.00 136.95 1kpb s PRO 56 Ca 0.04 1.30 0.18 0.00 0.04 0.00 0.00 61.00 62.56 1kpb s PRO 56 Cb -0.08 -2.16 0.54 0.00 0.04 0.00 0.00 34.50 32.83 1kpb s PRO 56 CO 0.01 -0.28 1.66 0.87 0.04 0.00 0.00 177.00 179.31 1kpb h LYS 57 N 1.76 0.00 -6.64 4.56 1.57 -1.48 -3.44 116.57 112.90 1kpb h LYS 57 Ca -0.49 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.76 1kpb h LYS 57 Cb 1.21 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.55 1kpb h LYS 57 CO 0.60 0.41 0.68 0.21 -0.57 0.00 0.00 179.45 180.78 1kpb s LYS 58 N -3.44 4.36 -0.80 3.15 2.20 -1.26 -3.57 119.74 120.37 1kpb s LYS 58 Ca 0.01 2.08 -0.24 0.00 -0.36 0.00 0.00 55.97 57.45 1kpb s LYS 58 Cb 0.10 -3.21 0.05 0.00 -1.51 0.00 0.00 37.83 33.27 1kpb s LYS 58 CO 0.70 -0.32 1.23 -1.58 -0.36 0.00 0.00 175.35 175.02 1kpb s HIS 59 N 0.41 2.50 -0.33 4.03 5.65 -1.26 -4.91 115.29 121.38 1kpb s HIS 59 Ca 0.59 -0.46 -0.05 0.00 0.25 0.00 0.00 55.06 55.40 1kpb s HIS 59 Cb -0.37 -4.54 0.05 0.00 -1.18 0.00 0.00 32.58 26.54 1kpb s HIS 59 CO 0.36 -1.90 0.08 0.42 -0.65 0.00 0.00 174.74 173.05 1kpb s ILE 60 N 4.92 3.47 0.28 0.89 1.01 -1.26 -5.00 121.20 125.51 1kpb s ILE 60 Ca 0.34 -1.29 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 1kpb s ILE 60 Cb -0.08 -3.01 0.27 0.00 0.01 0.00 0.00 42.46 39.66 1kpb s ILE 60 CO 0.06 -0.19 1.90 0.77 0.00 0.00 0.00 174.94 177.48 1kpb h SER 61 N 8.13 1.00 -5.06 3.58 4.64 -1.92 0.53 113.55 124.45 1kpb h SER 61 Ca -0.22 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.02 1kpb h SER 61 Cb 1.07 -0.22 -0.16 0.00 -0.31 0.00 0.00 62.40 62.79 1kpb h SER 61 CO 0.59 0.66 -0.18 -1.10 -0.87 0.00 0.00 176.83 175.93 1kpb s GLN 62 N -5.99 0.89 0.34 4.77 -0.21 -1.26 -2.04 119.66 116.15 1kpb s GLN 62 Ca -0.12 -0.51 0.01 0.00 0.02 0.00 0.00 55.36 54.76 1kpb s GLN 62 Cb 0.20 0.39 0.59 0.00 1.00 0.00 0.00 33.01 35.18 1kpb s GLN 62 CO 0.81 -0.30 1.98 0.97 -2.12 0.00 0.00 175.29 176.62 1kpb h ILE 63 N 2.99 1.18 0.00 1.08 6.09 -1.87 -1.99 117.51 124.99 1kpb h ILE 63 Ca -0.32 -0.39 -0.00 0.00 -1.37 0.00 0.00 64.86 62.78 1kpb h ILE 63 Cb 1.21 0.29 -0.00 0.00 0.47 0.00 0.00 36.82 38.79 1kpb h ILE 63 CO 0.46 0.18 -0.00 0.77 -3.07 0.00 0.00 178.15 176.49 1kpb h SER 64 N 0.86 0.00 -0.36 2.19 4.64 -1.96 -2.02 113.55 116.90 1kpb h SER 64 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1kpb h SER 64 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1kpb h SER 64 CO -0.04 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.25 1kpb n VAL 65 N -3.10 1.28 -2.25 0.95 0.24 -0.75 -4.99 118.33 109.72 1kpb n VAL 65 Ca -0.03 -1.17 -0.41 0.00 -2.04 0.00 0.00 64.34 60.69 1kpb n VAL 65 Cb 0.09 0.34 -0.03 0.00 -1.47 0.00 0.00 33.84 32.77 1kpb n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kpb s ALA 66 N -1.38 3.48 0.55 2.33 0.00 -0.76 -4.99 121.76 120.99 1kpb s ALA 66 Ca 0.29 1.11 -0.06 0.00 0.00 0.00 0.00 51.96 53.30 1kpb s ALA 66 Cb 0.18 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 1kpb s ALA 66 CO 0.16 -0.48 0.87 -1.21 0.00 0.00 0.00 175.76 175.10 1kpb s GLU 67 N -1.18 3.30 0.35 0.00 2.02 -1.26 -4.98 118.70 116.95 1kpb s GLU 67 Ca 0.50 0.21 0.05 0.00 0.02 0.00 0.00 54.97 55.75 1kpb s GLU 67 Cb -0.37 -2.28 0.70 0.00 0.10 0.00 0.00 34.13 32.27 1kpb s GLU 67 CO 0.45 -0.46 1.94 -0.44 0.02 0.00 0.00 175.26 176.77 1kpb h ASP 68 N -0.03 0.72 0.10 -0.19 3.32 -2.02 -1.51 116.42 116.82 1kpb h ASP 68 Ca -0.46 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1kpb h ASP 68 Cb 1.22 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 1kpb h ASP 68 CO 0.61 0.46 -0.02 0.44 -1.72 0.00 0.00 179.24 179.01 1kpb h ASP 69 N 0.82 0.00 -0.04 6.45 5.19 -2.03 -2.06 116.42 124.75 1kpb h ASP 69 Ca 0.34 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 1kpb h ASP 69 Cb 0.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.79 1kpb h ASP 69 CO -0.12 0.02 0.00 0.47 -3.12 0.00 0.00 179.24 176.49 1kpb n ASP 70 N -3.62 0.51 -0.02 6.45 8.00 -0.57 -4.47 116.55 122.84 1kpb n ASP 70 Ca -0.03 -1.45 -0.11 0.00 0.71 0.00 0.00 54.79 53.91 1kpb n ASP 70 Cb 0.12 -0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.14 1kpb n ASP 70 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1kpb h GLU 71 N 0.71 -0.42 -0.04 -1.24 4.81 -1.49 -0.92 114.58 115.98 1kpb h GLU 71 Ca 0.00 0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 1kpb h GLU 71 Cb 0.15 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1kpb h GLU 71 CO 0.00 -0.28 -0.47 0.66 -0.73 0.00 0.00 179.01 178.19 1kpb h SER 72 N -0.44 0.11 -0.54 1.04 4.64 -1.85 -2.07 113.55 114.44 1kpb h SER 72 Ca 0.09 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 1kpb h SER 72 Cb 0.60 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 1kpb h SER 72 CO -0.41 0.56 0.13 0.25 -0.87 0.00 0.00 176.83 176.49 1kpb h LEU 73 N 0.08 0.81 -0.74 5.97 5.85 -1.76 0.31 115.31 125.83 1kpb h LEU 73 Ca 0.00 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 1kpb h LEU 73 Cb 0.86 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1kpb h LEU 73 CO 0.07 0.83 0.24 -0.07 -0.34 0.00 0.00 178.44 179.16 1kpb h LEU 74 N 0.75 1.08 -1.06 2.25 3.38 -1.02 -1.89 115.31 118.80 1kpb h LEU 74 Ca 0.17 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1kpb h LEU 74 Cb 0.34 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1kpb h LEU 74 CO 0.00 1.00 -0.00 1.23 0.09 0.00 0.00 178.44 180.75 1kpb h GLY 75 N 1.10 0.71 1.47 0.83 0.00 -0.88 -2.71 103.07 103.58 1kpb h GLY 75 Ca 0.24 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 1kpb h GLY 75 CO -0.01 0.42 0.06 0.84 0.00 0.00 0.00 176.54 177.85 1kpb h HIS 76 N 0.63 0.69 -0.55 5.60 -0.00 0.29 -1.80 115.15 120.00 1kpb h HIS 76 Ca 0.13 -0.07 -0.03 0.00 -0.00 0.00 0.00 60.37 60.40 1kpb h HIS 76 Cb 0.40 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.58 1kpb h HIS 76 CO 0.02 0.62 0.22 -0.07 -0.00 0.00 0.00 177.93 178.72 1kpb h LEU 77 N 0.64 0.73 -0.19 0.26 3.38 -1.04 -0.39 115.31 118.70 1kpb h LEU 77 Ca 0.14 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 1kpb h LEU 77 Cb 0.31 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1kpb h LEU 77 CO 0.00 0.66 -0.55 0.24 0.09 0.00 0.00 178.44 178.88 1kpb h MET 78 N 0.79 0.72 -0.24 1.13 2.86 -1.37 -0.89 114.93 117.92 1kpb h MET 78 Ca 0.19 -0.51 -0.01 0.00 -2.06 0.00 0.00 59.70 57.31 1kpb h MET 78 Cb 0.16 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1kpb h MET 78 CO -0.02 1.13 0.11 0.82 1.06 0.00 0.00 176.91 180.01 1kpb h ILE 79 N 0.42 1.16 -0.53 -1.22 1.08 -1.14 -0.10 117.51 117.18 1kpb h ILE 79 Ca -0.01 -0.46 -0.01 0.00 -0.39 0.00 0.00 64.86 63.98 1kpb h ILE 79 Cb 1.17 1.02 -0.03 0.00 -3.07 0.00 0.00 36.82 35.91 1kpb h ILE 79 CO 0.12 0.16 0.30 0.58 -0.69 0.00 0.00 178.15 178.61 1kpb h VAL 80 N 0.25 1.18 -0.53 1.67 2.07 -1.11 0.24 116.25 120.02 1kpb h VAL 80 Ca 0.08 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.19 1kpb h VAL 80 Cb 0.15 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1kpb h VAL 80 CO -0.01 0.19 0.31 1.23 0.02 0.00 0.00 177.57 179.31 1kpb h GLY 81 N 0.71 0.75 0.97 2.17 0.00 -0.93 0.21 103.07 106.96 1kpb h GLY 81 Ca 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1kpb h GLY 81 CO -0.03 0.19 0.25 1.70 0.00 0.00 0.00 176.54 178.65 1kpb h LYS 82 N 0.62 0.65 -0.32 4.80 3.64 -0.68 0.80 116.57 126.07 1kpb h LYS 82 Ca 0.22 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1kpb h LYS 82 Cb 0.04 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1kpb h LYS 82 CO -0.10 0.52 0.04 0.87 -2.27 0.00 0.00 179.45 178.51 1kpb h LYS 83 N 0.60 0.54 -0.75 1.90 1.57 -0.36 -2.08 116.57 117.99 1kpb h LYS 83 Ca 0.16 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1kpb h LYS 83 Cb 0.07 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1kpb h LYS 83 CO -0.02 0.64 0.24 0.00 -0.57 0.00 0.00 179.45 179.73 1kpb h ALA 85 N 1.14 0.54 -0.71 0.00 0.00 -0.66 -1.88 119.26 117.69 1kpb h ALA 85 Ca 0.24 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1kpb h ALA 85 Cb 0.30 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1kpb h ALA 85 CO -0.01 -0.20 0.46 0.00 0.00 0.00 0.00 179.25 179.50 1kpb h ALA 86 N 1.27 0.92 0.00 0.00 0.00 -1.03 -2.61 119.26 117.81 1kpb h ALA 86 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1kpb h ALA 86 Cb 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1kpb h ALA 86 CO -0.19 0.29 0.00 -0.25 0.00 0.00 0.00 179.25 179.10 1kpb n ASP 87 N -4.61 0.00 -0.65 0.00 8.00 -0.77 -2.14 116.55 116.37 1kpb n ASP 87 Ca 0.07 -1.09 0.06 0.00 0.71 0.00 0.00 54.79 54.54 1kpb n ASP 87 Cb 0.04 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.27 1kpb n ASP 87 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1kpb n LEU 88 N -0.94 2.69 -0.06 0.64 4.77 -0.82 -5.00 117.00 118.28 1kpb n LEU 88 Ca 0.21 -1.62 -0.01 0.00 -0.03 0.00 0.00 56.01 54.56 1kpb n LEU 88 Cb 0.10 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1kpb n LEU 88 CO 0.16 0.62 -0.01 0.61 -1.33 0.00 0.00 177.39 177.44 1kpb n GLY 89 N 0.68 0.48 2.85 -0.72 0.00 -0.91 -4.96 105.19 102.62 1kpb n GLY 89 Ca 0.11 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1kpb n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kpb n LEU 90 N -0.09 5.82 0.07 0.99 4.77 -1.01 -4.68 117.00 122.88 1kpb n LEU 90 Ca -0.01 -3.64 0.13 0.00 -0.03 0.00 0.00 56.01 52.46 1kpb n LEU 90 Cb 0.05 -1.43 0.38 0.00 -2.33 0.00 0.00 43.42 40.08 1kpb n LEU 90 CO 0.01 0.57 0.75 -0.46 -1.33 0.00 0.00 177.39 176.93 1kpb n ASN 91 N 6.50 0.66 -0.65 -1.43 0.23 -1.26 -3.76 115.26 115.54 1kpb n ASN 91 Ca 0.52 0.42 0.12 0.00 -0.53 0.00 0.00 54.58 55.11 1kpb n ASN 91 Cb 0.38 -0.48 0.21 0.00 -2.08 0.00 0.00 39.78 37.81 1kpb n ASN 91 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1kpb n LYS 92 N -2.08 1.73 0.00 -3.83 5.02 -1.26 -5.06 118.16 112.68 1kpb n LYS 92 Ca 0.05 -1.32 0.00 0.00 -2.02 0.00 0.00 58.31 55.03 1kpb n LYS 92 Cb 0.41 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1kpb n LYS 92 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kpb n GLY 93 N 1.32 2.44 3.78 0.72 0.00 -1.25 -5.06 105.19 107.15 1kpb n GLY 93 Ca 0.14 -2.03 -0.02 0.00 0.00 0.00 0.00 46.02 44.10 1kpb n GLY 93 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1kpb s TYR 94 N -1.80 -0.05 -0.04 1.61 -0.85 -1.26 -4.25 117.35 110.70 1kpb s TYR 94 Ca 0.00 -0.25 0.02 0.00 -0.52 0.00 0.00 57.07 56.31 1kpb s TYR 94 Cb 0.00 0.64 0.01 0.00 0.38 0.00 0.00 41.96 43.00 1kpb s TYR 94 CO 0.00 -0.77 -0.08 0.50 -1.52 0.00 0.00 175.55 173.68 1kpb s ARG 95 N -2.78 1.06 -0.13 -3.49 3.52 0.45 -4.95 118.95 112.62 1kpb s ARG 95 Ca 0.16 -0.25 -0.05 0.00 -0.13 0.00 0.00 55.73 55.45 1kpb s ARG 95 Cb -0.01 -0.97 -0.04 0.00 -1.56 0.00 0.00 34.95 32.37 1kpb s ARG 95 CO 0.02 0.02 0.07 -1.64 -0.81 0.00 0.00 175.30 172.96 1kpb s MET 96 N 0.55 3.44 -0.02 5.12 -1.94 -1.26 -0.69 119.30 124.51 1kpb s MET 96 Ca -0.09 -0.30 -0.00 0.00 -1.71 0.00 0.00 55.69 53.59 1kpb s MET 96 Cb -0.12 -3.05 0.02 0.00 2.01 0.00 0.00 34.83 33.68 1kpb s MET 96 CO 0.01 0.60 0.03 0.08 -0.01 0.00 0.00 175.02 175.72 1kpb s VAL 97 N -0.54 -0.03 -0.13 -6.03 1.01 -0.36 -4.96 120.40 109.35 1kpb s VAL 97 Ca 0.11 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.23 1kpb s VAL 97 Cb -0.12 -0.06 0.02 0.00 0.00 0.00 0.00 36.38 36.21 1kpb s VAL 97 CO 0.02 0.05 -0.17 -0.69 0.00 0.00 0.00 175.10 174.31 1kpb s VAL 98 N 0.64 1.69 -0.12 2.92 1.01 -1.26 -0.36 120.40 124.91 1kpb s VAL 98 Ca -0.05 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 1kpb s VAL 98 Cb -0.08 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1kpb s VAL 98 CO -0.02 0.48 0.12 0.20 0.00 0.00 0.00 175.10 175.88 1kpb s ASN 99 N 1.08 6.18 -0.10 3.32 0.01 -1.26 -5.08 114.94 119.09 1kpb s ASN 99 Ca -0.03 0.39 0.01 0.00 -0.71 0.00 0.00 52.86 52.52 1kpb s ASN 99 Cb -0.14 -1.98 0.02 0.00 0.41 0.00 0.00 41.25 39.56 1kpb s ASN 99 CO -0.05 0.38 -0.10 -0.70 -1.51 0.00 0.00 177.10 175.12 1kpb s GLU 100 N -0.88 1.72 2.01 -0.60 2.56 -1.26 -4.68 118.70 117.57 1kpb s GLU 100 Ca 0.14 -0.36 0.00 0.00 0.00 0.00 0.00 54.97 54.75 1kpb s GLU 100 Cb -0.12 -1.61 0.00 0.00 2.00 0.00 0.00 34.13 34.40 1kpb s GLU 100 CO 0.03 -0.16 0.00 0.41 -0.56 0.00 0.00 175.26 174.98 1kpb n GLY 101 N 4.52 0.52 0.29 -1.50 0.00 -1.26 -2.54 105.19 105.23 1kpb n GLY 101 Ca -0.17 -0.82 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 1kpb n GLY 101 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1kpb h SER 102 N 0.00 -0.59 0.11 1.61 0.02 -1.96 -1.53 113.55 111.22 1kpb h SER 102 Ca 0.00 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1kpb h SER 102 Cb 0.00 0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 1kpb h SER 102 CO 0.00 -0.41 -0.10 0.44 -1.14 0.00 0.00 176.83 175.62 1kpb h ASP 103 N -0.71 0.00 0.83 3.07 3.32 -2.01 -2.00 116.42 118.92 1kpb h ASP 103 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1kpb h ASP 103 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1kpb h ASP 103 CO 0.12 0.10 -0.17 0.61 -1.72 0.00 0.00 179.24 178.18 1kpb n GLY 104 N -1.21 -1.41 2.14 2.75 0.00 -1.05 -4.96 105.19 101.45 1kpb n GLY 104 Ca -0.03 -0.18 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 1kpb n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kpb n GLY 105 N 1.50 0.09 3.65 -0.02 0.00 -0.71 -4.31 105.19 105.39 1kpb n GLY 105 Ca 0.07 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1kpb n GLY 105 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1kpb s GLN 106 N -4.32 4.02 0.21 1.61 0.74 -0.66 -4.90 119.66 116.36 1kpb s GLN 106 Ca 0.00 2.09 0.19 0.00 0.05 0.00 0.00 55.36 57.69 1kpb s GLN 106 Cb 0.00 -4.04 0.02 0.00 1.10 0.00 0.00 33.01 30.09 1kpb s GLN 106 CO 0.00 -1.04 1.15 0.66 -0.55 0.00 0.00 175.29 175.51 1kpb h SER 107 N 10.26 0.00 -3.53 6.67 4.64 -1.93 -3.46 113.55 126.20 1kpb h SER 107 Ca -0.39 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.64 1kpb h SER 107 Cb 1.18 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.94 1kpb h SER 107 CO 0.96 0.31 -0.72 -0.69 -0.87 0.00 0.00 176.83 175.83 1kpb s VAL 108 N -3.10 -0.05 -1.52 0.95 1.01 -1.26 -5.06 120.40 111.36 1kpb s VAL 108 Ca 0.01 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.08 1kpb s VAL 108 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 36.38 36.36 1kpb s VAL 108 CO 0.77 0.08 2.62 -1.22 0.00 0.00 0.00 175.10 177.35 1kpb n TYR 109 N 4.08 2.78 -3.41 5.22 4.01 -1.26 -4.62 117.16 123.96 1kpb n TYR 109 Ca -0.26 -3.01 -0.07 0.00 -0.16 0.00 0.00 57.90 54.39 1kpb n TYR 109 Cb 0.51 -2.40 -0.07 0.00 -0.31 0.00 0.00 39.34 37.07 1kpb n TYR 109 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1kpb s HIS 110 N 1.92 -0.93 0.00 -0.72 2.46 -0.86 -4.27 115.29 112.89 1kpb s HIS 110 Ca 0.60 1.16 -0.39 0.00 0.47 0.00 0.00 55.06 56.89 1kpb s HIS 110 Cb 0.16 0.18 -0.20 0.00 -0.13 0.00 0.00 32.58 32.60 1kpb s HIS 110 CO -0.07 -0.68 1.05 0.28 -2.47 0.00 0.00 174.74 172.85 1kpb n VAL 111 N 5.38 0.03 -3.71 0.89 0.31 0.18 -4.94 118.33 116.47 1kpb n VAL 111 Ca -0.05 -0.01 -0.12 0.00 -0.01 0.00 0.00 64.34 64.16 1kpb n VAL 111 Cb 0.50 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.33 1kpb n VAL 111 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1kpb s HIS 112 N -0.01 -0.53 -0.27 3.52 -3.43 -1.26 -4.26 115.29 109.04 1kpb s HIS 112 Ca 0.89 1.22 -0.10 0.00 -0.80 0.00 0.00 55.06 56.27 1kpb s HIS 112 Cb -1.25 0.21 -0.05 0.00 -1.43 0.00 0.00 32.58 30.06 1kpb s HIS 112 CO 0.56 -0.28 0.17 -1.17 -2.00 0.00 0.00 174.74 172.02 1kpb s LEU 113 N 0.71 3.96 0.22 5.38 2.96 -0.76 -4.54 118.68 126.60 1kpb s LEU 113 Ca -0.04 -0.01 -0.16 0.00 -0.22 0.00 0.00 54.13 53.70 1kpb s LEU 113 Cb -0.05 -2.09 -0.08 0.00 0.50 0.00 0.00 46.19 44.47 1kpb s LEU 113 CO -0.05 -0.03 0.65 -1.00 -1.32 0.00 0.00 176.35 174.60 1kpb s HIS 114 N 1.60 3.56 -0.10 5.38 3.76 0.51 -1.82 115.29 128.18 1kpb s HIS 114 Ca 0.07 1.19 -0.01 0.00 -0.15 0.00 0.00 55.06 56.16 1kpb s HIS 114 Cb -0.15 -2.48 0.03 0.00 1.11 0.00 0.00 32.58 31.09 1kpb s HIS 114 CO 0.09 0.32 -0.01 0.08 -0.85 0.00 0.00 174.74 174.37 1kpb s VAL 115 N -1.62 0.52 -0.05 -0.90 1.01 -0.46 -1.23 120.40 117.68 1kpb s VAL 115 Ca 0.44 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.40 1kpb s VAL 115 Cb -0.14 -0.71 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 1kpb s VAL 115 CO 0.20 0.20 -0.18 -0.76 0.00 0.00 0.00 175.10 174.56 1kpb s LEU 116 N 1.90 1.93 0.00 3.92 1.02 0.14 -1.40 118.68 126.19 1kpb s LEU 116 Ca 0.04 -0.37 0.00 0.00 0.02 0.00 0.00 54.13 53.82 1kpb s LEU 116 Cb -0.13 -1.02 0.00 0.00 0.02 0.00 0.00 46.19 45.06 1kpb s LEU 116 CO -0.06 0.16 0.00 0.61 0.02 0.00 0.00 176.35 177.08 1kpb n GLY 117 N 3.16 1.76 1.43 -3.19 0.00 -0.63 -0.42 105.19 107.30 1kpb n GLY 117 Ca -0.18 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1kpb n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kpb n GLY 118 N 0.00 0.71 3.51 -0.02 0.00 -1.26 -2.57 105.19 105.57 1kpb n GLY 118 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1kpb n GLY 118 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1kpb s ARG 119 N -0.36 0.77 -0.13 1.61 1.70 -1.26 -4.64 118.95 116.63 1kpb s ARG 119 Ca 0.00 -0.26 -0.29 0.00 -0.47 0.00 0.00 55.73 54.71 1kpb s ARG 119 Cb 0.00 0.35 -0.04 0.00 -0.57 0.00 0.00 34.95 34.69 1kpb s ARG 119 CO 0.00 -0.33 1.64 -1.14 -1.08 0.00 0.00 175.30 174.39 1kpb s GLN 120 N -2.94 3.98 0.35 3.89 2.00 -1.26 -4.97 119.66 120.72 1kpb s GLN 120 Ca 0.05 1.94 -0.15 0.00 -2.00 0.00 0.00 55.36 55.20 1kpb s GLN 120 Cb -0.01 -4.01 -0.09 0.00 0.80 0.00 0.00 33.01 29.70 1kpb s GLN 120 CO -0.08 -1.07 0.77 -1.64 -0.50 0.00 0.00 175.29 172.77 1kpb s MET 121 N 4.37 3.99 0.47 1.67 -1.94 -1.26 -5.07 119.30 121.53 1kpb s MET 121 Ca 0.73 0.70 0.07 0.00 -1.71 0.00 0.00 55.69 55.47 1kpb s MET 121 Cb -0.29 -2.39 0.01 0.00 2.01 0.00 0.00 34.83 34.17 1kpb s MET 121 CO 0.29 0.10 0.40 -1.01 -0.01 0.00 0.00 175.02 174.79 1kpb s HIS 122 N -2.08 2.21 -0.03 -0.03 0.09 -1.26 -5.14 115.29 109.05 1kpb s HIS 122 Ca 0.55 -0.64 0.03 0.00 -0.00 0.00 0.00 55.06 54.99 1kpb s HIS 122 Cb -0.10 -2.07 0.00 0.00 -0.00 0.00 0.00 32.58 30.42 1kpb s HIS 122 CO 0.19 -0.31 -0.11 -0.46 -0.00 0.00 0.00 174.74 174.05 1kpb s TRP 123 N -2.61 1.19 0.94 1.40 -0.11 -1.26 -3.99 118.94 114.50 1kpb s TRP 123 Ca 0.44 -0.33 -0.12 0.00 1.22 0.00 0.00 56.10 57.32 1kpb s TRP 123 Cb -0.02 -0.84 0.15 0.00 -1.50 0.00 0.00 33.47 31.26 1kpb s TRP 123 CO 0.26 -0.13 1.09 -1.25 -4.62 0.00 0.00 176.95 172.29 1kpb s PRO 124 N 0.21 0.91 -0.55 5.86 0.04 -1.26 -5.04 135.00 135.17 1kpb s PRO 124 Ca -0.04 0.91 -0.07 0.00 0.04 0.00 0.00 61.00 61.83 1kpb s PRO 124 Cb -0.10 -1.76 -0.16 0.00 0.04 0.00 0.00 34.50 32.51 1kpb s PRO 124 CO 0.01 -2.50 3.29 -0.35 0.04 0.00 0.00 177.00 177.50 1kpb n PRO 125 N -4.07 2.64 0.00 0.56 -0.04 -1.26 -5.21 135.00 127.62 1kpb n PRO 125 Ca 0.07 -1.60 0.00 0.00 -0.04 0.00 0.00 63.50 61.93 1kpb n PRO 125 Cb 0.55 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 1kpb n PRO 125 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87