#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p97 s ALA 2 N 0.00 1.69 -0.96 4.61 0.00 -1.26 -5.06 121.76 120.78 1p97 s ALA 2 Ca 0.00 -1.65 -0.24 0.00 0.00 0.00 0.00 51.96 50.07 1p97 s ALA 2 Cb 0.00 -1.60 -0.00 0.00 0.00 0.00 0.00 23.12 21.52 1p97 s ALA 2 CO 0.00 -1.58 1.71 -1.64 0.00 0.00 0.00 175.76 174.26 1p97 s MET 3 N 1.54 3.04 0.00 0.00 -1.94 -1.26 -4.62 119.30 116.05 1p97 s MET 3 Ca 0.07 -0.67 0.00 0.00 -1.71 0.00 0.00 55.69 53.38 1p97 s MET 3 Cb -0.18 -5.20 0.00 0.00 2.01 0.00 0.00 34.83 31.47 1p97 s MET 3 CO -0.20 -2.83 0.00 -0.25 -0.01 0.00 0.00 175.02 171.73 1p97 n ASP 4 N 11.60 0.00 -3.53 3.03 8.00 -1.26 -4.59 116.55 129.80 1p97 n ASP 4 Ca 0.37 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.77 1p97 n ASP 4 Cb 0.49 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.57 1p97 n ASP 4 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1p97 s SER 5 N -3.51 -0.42 -0.61 -2.24 1.04 -1.26 -5.11 113.70 101.60 1p97 s SER 5 Ca 0.00 -0.10 -0.21 0.00 0.48 0.00 0.00 55.95 56.12 1p97 s SER 5 Cb 0.00 0.52 0.08 0.00 0.10 0.00 0.00 66.02 66.72 1p97 s SER 5 CO 0.00 -0.87 0.83 -0.54 0.98 0.00 0.00 173.24 173.65 1p97 s LYS 6 N -3.48 3.11 -0.12 4.02 1.02 -1.24 -4.99 119.74 118.06 1p97 s LYS 6 Ca 0.05 -0.95 0.02 0.00 0.02 0.00 0.00 55.97 55.10 1p97 s LYS 6 Cb -0.02 -4.21 0.01 0.00 -0.52 0.00 0.00 37.83 33.10 1p97 s LYS 6 CO -0.08 -1.62 -0.17 0.99 -0.92 0.00 0.00 175.35 173.55 1p97 s THR 7 N 3.42 1.64 -0.08 2.17 2.01 -1.26 0.10 115.64 123.64 1p97 s THR 7 Ca 0.18 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.48 1p97 s THR 7 Cb -0.19 -1.49 0.01 0.00 0.01 0.00 0.00 72.50 70.84 1p97 s THR 7 CO 0.10 0.47 -0.13 0.72 -0.69 0.00 0.00 174.62 175.09 1p97 s PHE 8 N 1.02 1.65 0.36 4.92 -0.71 -1.04 -4.98 117.98 119.20 1p97 s PHE 8 Ca -0.05 -0.68 -0.27 0.00 -1.04 0.00 0.00 56.93 54.89 1p97 s PHE 8 Cb -0.15 -1.21 -0.09 0.00 -1.21 0.00 0.00 43.02 40.36 1p97 s PHE 8 CO -0.03 -0.36 1.19 -1.17 -1.34 0.00 0.00 175.22 173.52 1p97 s LEU 9 N 0.83 4.33 0.24 -1.99 1.98 -1.26 -2.56 118.68 120.25 1p97 s LEU 9 Ca -0.11 2.43 -0.13 0.00 -2.89 0.00 0.00 54.13 53.43 1p97 s LEU 9 Cb -0.15 -3.83 -0.00 0.00 0.66 0.00 0.00 46.19 42.86 1p97 s LEU 9 CO 0.02 -0.53 0.47 -0.94 -1.89 0.00 0.00 176.35 173.48 1p97 s SER 10 N -0.90 -0.09 -0.08 3.68 1.04 -0.09 -0.44 113.70 116.82 1p97 s SER 10 Ca 0.52 -0.89 -0.17 0.00 0.48 0.00 0.00 55.95 55.88 1p97 s SER 10 Cb -0.34 0.58 0.04 0.00 0.10 0.00 0.00 66.02 66.40 1p97 s SER 10 CO 0.43 -1.12 0.42 0.00 0.98 0.00 0.00 173.24 173.95 1p97 s ARG 11 N -4.00 0.66 0.44 4.02 1.70 -0.32 -1.00 118.95 120.45 1p97 s ARG 11 Ca 0.21 0.20 0.05 0.00 -0.47 0.00 0.00 55.73 55.72 1p97 s ARG 11 Cb -0.00 0.31 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 1p97 s ARG 11 CO 0.08 -0.15 0.01 -1.01 -1.08 0.00 0.00 175.30 173.14 1p97 s HIS 12 N -0.67 2.23 -0.02 5.89 3.76 0.96 -1.68 115.29 125.77 1p97 s HIS 12 Ca -0.08 -0.81 0.00 0.00 -0.15 0.00 0.00 55.06 54.03 1p97 s HIS 12 Cb -0.04 -1.67 0.03 0.00 1.11 0.00 0.00 32.58 32.01 1p97 s HIS 12 CO 0.04 0.32 0.02 -1.12 -0.85 0.00 0.00 174.74 173.15 1p97 s SER 13 N -3.75 0.16 0.00 1.40 0.01 -1.26 -0.08 113.70 110.17 1p97 s SER 13 Ca 0.24 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.52 1p97 s SER 13 Cb 0.07 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.19 1p97 s SER 13 CO 0.12 -0.11 0.00 0.80 0.41 0.00 0.00 173.24 174.46 1p97 n MET 14 N 4.08 0.00 0.30 12.44 1.56 -1.23 -0.10 117.12 134.17 1p97 n MET 14 Ca -0.26 0.00 0.20 0.00 -0.27 0.00 0.00 57.70 57.37 1p97 n MET 14 Cb 0.51 0.00 1.04 0.00 2.15 0.00 0.00 33.22 36.92 1p97 n MET 14 CO 0.00 0.00 0.00 0.22 -0.73 0.00 0.00 175.97 175.46 1p97 h ASP 15 N 0.00 0.00 -4.68 6.12 3.58 -1.95 -3.47 116.42 116.02 1p97 h ASP 15 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1p97 h ASP 15 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1p97 h ASP 15 CO 0.00 0.00 -0.11 0.80 -2.88 0.00 0.00 179.24 177.05 1p97 n MET 16 N -2.97 -1.17 -0.07 0.28 0.00 0.85 -5.03 117.12 109.00 1p97 n MET 16 Ca -0.02 1.35 -0.10 0.00 -0.00 0.00 0.00 57.70 58.93 1p97 n MET 16 Cb 0.11 -4.55 -0.03 0.00 0.00 0.00 0.00 33.22 28.75 1p97 n MET 16 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1p97 n LYS 17 N -1.20 0.44 0.00 2.12 2.85 -1.26 -4.28 118.16 116.83 1p97 n LYS 17 Ca 0.03 0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.46 1p97 n LYS 17 Cb 0.45 -1.27 0.00 0.00 -0.65 0.00 0.00 35.03 33.56 1p97 n LYS 17 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1p97 n PHE 18 N -4.23 0.00 0.16 5.58 3.72 -1.18 -1.14 117.46 120.36 1p97 n PHE 18 Ca -0.17 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.26 1p97 n PHE 18 Cb 0.49 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.99 1p97 n PHE 18 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1p97 n THR 19 N 0.00 0.00 -3.73 4.37 -2.24 -0.67 0.40 114.28 112.41 1p97 n THR 19 Ca 0.00 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.39 1p97 n THR 19 Cb 0.00 0.71 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 1p97 n THR 19 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1p97 s TYR 20 N -1.96 -0.46 -0.03 4.78 5.04 -0.73 -4.75 117.35 119.24 1p97 s TYR 20 Ca 0.00 1.11 -0.03 0.00 -2.44 0.00 0.00 57.07 55.71 1p97 s TYR 20 Cb 0.04 0.16 0.01 0.00 0.35 0.00 0.00 41.96 42.52 1p97 s TYR 20 CO 0.26 -0.24 0.09 0.00 -1.34 0.00 0.00 175.55 174.32 1p97 s ASP 22 N -0.06 6.05 0.55 0.00 -1.08 0.41 -4.73 116.67 117.81 1p97 s ASP 22 Ca -0.01 1.85 0.31 0.00 -0.52 0.00 0.00 52.55 54.18 1p97 s ASP 22 Cb -0.01 -2.54 1.57 0.00 -1.46 0.00 0.00 42.92 40.48 1p97 s ASP 22 CO 0.00 -0.98 2.10 -2.24 0.52 0.00 0.00 175.17 174.57 1p97 h ASP 23 N 0.91 0.00 -0.25 -0.34 3.04 -2.00 -1.95 116.42 115.82 1p97 h ASP 23 Ca -0.48 0.00 0.07 0.00 -3.24 0.00 0.00 57.03 53.38 1p97 h ASP 23 Cb 1.22 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.50 1p97 h ASP 23 CO 0.58 0.08 0.38 0.03 -2.04 0.00 0.00 179.24 178.28 1p97 h ARG 24 N 0.00 0.00 0.00 4.15 2.47 -1.93 -1.45 114.38 117.61 1p97 h ARG 24 Ca -0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1p97 h ARG 24 Cb 0.32 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1p97 h ARG 24 CO 0.01 0.00 -0.13 0.97 0.56 0.00 0.00 179.97 181.38 1p97 h ILE 25 N 0.00 0.99 -0.52 2.04 2.10 -1.67 0.10 117.51 120.55 1p97 h ILE 25 Ca 0.12 -0.48 0.11 0.00 1.08 0.00 0.00 64.86 65.69 1p97 h ILE 25 Cb 0.89 1.27 -0.03 0.00 -1.09 0.00 0.00 36.82 37.85 1p97 h ILE 25 CO -0.00 0.13 0.36 0.71 -1.08 0.00 0.00 178.15 178.27 1p97 h THR 26 N 0.00 0.85 0.00 2.19 1.35 -1.14 0.32 112.91 116.47 1p97 h THR 26 Ca -0.00 -0.08 -0.04 0.00 -0.55 0.00 0.00 66.41 65.74 1p97 h THR 26 Cb 0.26 0.60 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 1p97 h THR 26 CO 0.02 0.04 -1.18 -0.62 -0.25 0.00 0.00 175.52 173.52 1p97 n GLU 27 N -4.45 0.61 -0.09 4.72 1.02 0.27 -3.68 120.64 119.05 1p97 n GLU 27 Ca 0.09 0.12 -0.12 0.00 -0.02 0.00 0.00 57.16 57.23 1p97 n GLU 27 Cb 0.43 -1.80 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 1p97 n GLU 27 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1p97 n LEU 28 N -2.70 1.86 -0.33 -4.62 4.77 -0.49 -4.67 117.00 110.82 1p97 n LEU 28 Ca -0.03 0.31 0.09 0.00 -0.03 0.00 0.00 56.01 56.36 1p97 n LEU 28 Cb 0.63 -0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1p97 n LEU 28 CO 0.41 -0.14 0.20 -0.38 -1.33 0.00 0.00 177.39 176.15 1p97 n ILE 29 N -4.34 0.00 0.00 -0.08 5.41 0.95 -4.96 119.36 116.34 1p97 n ILE 29 Ca -0.21 -0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.31 1p97 n ILE 29 Cb 0.56 1.17 0.00 0.00 -0.71 0.00 0.00 39.64 40.66 1p97 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1p97 n GLY 30 N 1.34 2.98 0.74 7.39 0.00 -0.25 -0.60 105.19 116.79 1p97 n GLY 30 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 1p97 n GLY 30 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1p97 n TYR 31 N -1.49 -3.89 -4.03 1.61 4.01 -1.26 -4.78 117.16 107.34 1p97 n TYR 31 Ca 0.00 -0.22 -0.30 0.00 -0.16 0.00 0.00 57.90 57.22 1p97 n TYR 31 Cb 0.00 -0.20 -0.06 0.00 -0.31 0.00 0.00 39.34 38.77 1p97 n TYR 31 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1p97 s HIS 32 N -1.54 3.24 0.27 -0.72 2.46 -1.26 -2.95 115.29 114.78 1p97 s HIS 32 Ca 0.15 0.09 0.00 0.00 0.47 0.00 0.00 55.06 55.77 1p97 s HIS 32 Cb -0.01 -1.63 0.60 0.00 -0.13 0.00 0.00 32.58 31.42 1p97 s HIS 32 CO 0.10 0.53 1.72 -1.35 -2.47 0.00 0.00 174.74 173.27 1p97 h PRO 33 N 3.13 0.44 0.00 2.88 0.11 -1.85 0.11 132.00 136.83 1p97 h PRO 33 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1p97 h PRO 33 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1p97 h PRO 33 CO 0.67 0.29 0.00 -0.85 -0.21 0.00 0.00 178.00 177.90 1p97 n GLU 34 N -5.00 0.15 -0.05 1.05 0.00 -1.26 -0.33 120.64 115.20 1p97 n GLU 34 Ca 0.19 0.37 -0.09 0.00 0.00 0.00 0.00 57.16 57.62 1p97 n GLU 34 Cb 0.53 -1.78 -0.08 0.00 0.00 0.00 0.00 31.44 30.11 1p97 n GLU 34 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1p97 h GLU 35 N 0.00 -0.02 -0.19 3.44 4.39 -1.17 -3.37 114.58 117.66 1p97 h GLU 35 Ca 0.00 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.50 1p97 h GLU 35 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1p97 h GLU 35 CO 0.00 0.61 -0.69 -0.07 -1.16 0.00 0.00 179.01 177.70 1p97 h LEU 36 N -0.98 0.89 -8.34 1.33 4.07 -1.14 -3.41 115.31 107.73 1p97 h LEU 36 Ca -0.00 -0.55 -0.36 0.00 0.08 0.00 0.00 57.88 57.05 1p97 h LEU 36 Cb 0.64 -0.26 -0.04 0.00 1.08 0.00 0.00 40.66 42.08 1p97 h LEU 36 CO 0.00 1.34 0.96 -1.48 -1.08 0.00 0.00 178.44 178.17 1p97 s LEU 37 N -8.45 3.20 0.00 1.67 0.05 0.55 -1.81 118.68 113.90 1p97 s LEU 37 Ca -0.10 -0.22 0.00 0.00 0.05 0.00 0.00 54.13 53.87 1p97 s LEU 37 Cb 0.09 -2.55 0.00 0.00 -2.05 0.00 0.00 46.19 41.69 1p97 s LEU 37 CO 0.89 -2.67 0.00 0.61 -0.55 0.00 0.00 176.35 174.63 1p97 n GLY 38 N 6.40 1.48 3.15 -3.48 0.00 0.16 -4.84 105.19 108.07 1p97 n GLY 38 Ca 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 1p97 n GLY 38 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1p97 s ARG 39 N 0.00 0.88 -0.22 1.61 1.70 -0.75 -5.04 118.95 117.13 1p97 s ARG 39 Ca 0.00 -1.40 -0.29 0.00 -0.47 0.00 0.00 55.73 53.57 1p97 s ARG 39 Cb 0.00 0.19 0.01 0.00 -0.57 0.00 0.00 34.95 34.58 1p97 s ARG 39 CO 0.00 -0.22 1.07 -1.12 -1.08 0.00 0.00 175.30 173.95 1p97 s SER 40 N -3.03 7.08 0.21 -2.89 0.01 -1.26 -3.10 113.70 110.72 1p97 s SER 40 Ca 0.21 1.42 -0.12 0.00 1.31 0.00 0.00 55.95 58.77 1p97 s SER 40 Cb 0.07 -2.54 0.26 0.00 0.21 0.00 0.00 66.02 64.02 1p97 s SER 40 CO -0.00 -0.68 1.64 0.00 0.41 0.00 0.00 173.24 174.61 1p97 h ALA 41 N 7.54 0.50 0.00 1.44 0.00 -1.32 -2.55 119.26 124.87 1p97 h ALA 41 Ca -0.20 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1p97 h ALA 41 Cb 1.07 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1p97 h ALA 41 CO 0.98 -0.42 0.05 0.66 0.00 0.00 0.00 179.25 180.52 1p97 n TYR 42 N -5.36 0.03 0.54 0.00 4.01 -1.26 0.59 117.16 115.72 1p97 n TYR 42 Ca 0.08 0.02 0.11 0.00 -0.16 0.00 0.00 57.90 57.95 1p97 n TYR 42 Cb 0.34 -0.48 0.45 0.00 -0.31 0.00 0.00 39.34 39.33 1p97 n TYR 42 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1p97 n GLU 43 N -1.49 0.14 0.00 -0.72 1.02 -0.96 -3.96 120.64 114.67 1p97 n GLU 43 Ca -0.00 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 1p97 n GLU 43 Cb 0.05 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 1p97 n GLU 43 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1p97 n PHE 44 N -1.99 0.00 -1.34 -0.32 -1.74 0.43 -5.01 117.46 107.48 1p97 n PHE 44 Ca 0.04 0.00 -0.40 0.00 -0.56 0.00 0.00 57.45 56.52 1p97 n PHE 44 Cb 0.27 0.03 -0.06 0.00 1.52 0.00 0.00 39.48 41.25 1p97 n PHE 44 CO 0.00 0.00 0.00 0.98 -0.56 0.00 0.00 176.76 177.18 1p97 n TYR 45 N 0.00 2.06 -1.59 2.97 9.36 0.20 -2.60 117.16 127.56 1p97 n TYR 45 Ca 0.00 -1.74 -0.00 0.00 3.32 0.00 0.00 57.90 59.48 1p97 n TYR 45 Cb 0.23 -1.89 -0.00 0.00 -0.63 0.00 0.00 39.34 37.04 1p97 n TYR 45 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1p97 n HIS 46 N 8.87 -2.00 0.38 2.98 8.25 -1.23 -3.75 115.22 128.72 1p97 n HIS 46 Ca 0.49 1.19 -0.15 0.00 -0.26 0.00 0.00 57.72 58.99 1p97 n HIS 46 Cb 0.42 -2.75 -0.07 0.00 1.12 0.00 0.00 29.99 28.71 1p97 n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1p97 h ALA 47 N 1.77 -1.26 0.00 -1.41 0.00 -1.80 -0.99 119.26 115.57 1p97 h ALA 47 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1p97 h ALA 47 Cb 0.04 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1p97 h ALA 47 CO 0.00 -1.19 -1.06 1.47 0.00 0.00 0.00 179.25 178.47 1p97 n LEU 48 N -4.60 0.63 -0.59 0.00 -0.00 -1.26 -4.09 117.00 107.08 1p97 n LEU 48 Ca -0.12 0.12 0.12 0.00 -0.00 0.00 0.00 56.01 56.13 1p97 n LEU 48 Cb 0.38 -0.09 0.16 0.00 -0.00 0.00 0.00 43.42 43.87 1p97 n LEU 48 CO 0.29 -0.04 0.53 -0.67 -0.00 0.00 0.00 177.39 177.50 1p97 n ASP 49 N -2.21 2.08 0.04 1.45 2.03 -1.24 -4.48 116.55 114.22 1p97 n ASP 49 Ca 0.01 -1.55 -0.12 0.00 0.52 0.00 0.00 54.79 53.65 1p97 n ASP 49 Cb 0.48 0.22 -0.07 0.00 -0.72 0.00 0.00 41.12 41.03 1p97 n ASP 49 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1p97 h SER 50 N 2.89 -1.24 -0.80 1.67 0.87 -1.26 -2.62 113.55 113.07 1p97 h SER 50 Ca 0.00 0.14 0.19 0.00 -1.23 0.00 0.00 61.79 60.89 1p97 h SER 50 Cb 0.75 0.47 -0.13 0.00 -0.44 0.00 0.00 62.40 63.05 1p97 h SER 50 CO 0.00 -0.39 0.13 -0.33 -0.53 0.00 0.00 176.83 175.71 1p97 h GLU 51 N -0.50 0.17 -0.17 2.24 4.39 -1.85 0.40 114.58 119.26 1p97 h GLU 51 Ca 0.01 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1p97 h GLU 51 Cb 0.54 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1p97 h GLU 51 CO -0.27 0.11 0.11 -0.91 -1.16 0.00 0.00 179.01 176.90 1p97 h ASN 52 N 0.18 0.20 0.59 1.42 4.21 -1.78 0.49 115.58 120.89 1p97 h ASN 52 Ca 0.46 -0.02 -0.13 0.00 1.21 0.00 0.00 56.30 57.83 1p97 h ASN 52 Cb 0.86 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.99 1p97 h ASN 52 CO -0.63 0.16 -0.62 -0.03 -1.29 0.00 0.00 177.43 175.02 1p97 h MET 53 N 0.22 0.02 -0.68 0.81 4.05 -0.88 -0.51 114.93 117.96 1p97 h MET 53 Ca 0.06 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 1p97 h MET 53 Cb -0.01 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.76 1p97 h MET 53 CO -0.01 0.63 0.39 1.15 0.23 0.00 0.00 176.91 179.30 1p97 h THR 54 N 0.01 1.20 0.00 -0.77 2.02 0.33 0.21 112.91 115.91 1p97 h THR 54 Ca -0.01 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 1p97 h THR 54 Cb 1.09 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1p97 h THR 54 CO 0.08 0.21 -0.13 0.11 0.37 0.00 0.00 175.52 176.16 1p97 h LYS 55 N 0.94 0.00 0.00 6.66 6.56 -0.58 -2.45 116.57 127.69 1p97 h LYS 55 Ca 0.24 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.73 1p97 h LYS 55 Cb -0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.64 1p97 h LYS 55 CO -0.04 0.07 -0.49 1.03 -2.06 0.00 0.00 179.45 177.96 1p97 h SER 56 N 0.00 0.00 0.15 0.86 0.87 0.25 0.38 113.55 116.07 1p97 h SER 56 Ca -0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1p97 h SER 56 Cb 1.06 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 1p97 h SER 56 CO 0.01 0.49 -0.18 -0.74 -0.53 0.00 0.00 176.83 175.88 1p97 h HIS 57 N 0.00 0.06 0.00 2.24 -0.00 -0.18 0.28 115.15 117.55 1p97 h HIS 57 Ca -0.00 -0.01 -0.13 0.00 -0.00 0.00 0.00 60.37 60.23 1p97 h HIS 57 Cb 0.92 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 28.29 1p97 h HIS 57 CO 0.00 0.24 -0.64 1.96 -0.00 0.00 0.00 177.93 179.49 1p97 h GLN 58 N 0.06 0.00 0.03 5.26 1.08 -1.04 -3.09 115.11 117.41 1p97 h GLN 58 Ca 0.01 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1p97 h GLN 58 Cb 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1p97 h GLN 58 CO 0.02 0.64 -0.01 -0.97 -0.95 0.00 0.00 178.83 177.56 1p97 h ASN 59 N 0.00 -0.03 -0.96 1.46 -1.24 0.03 -3.00 115.58 111.83 1p97 h ASN 59 Ca -0.01 -0.67 0.19 0.00 0.71 0.00 0.00 56.30 56.52 1p97 h ASN 59 Cb 1.41 0.01 -0.09 0.00 0.73 0.00 0.00 38.32 40.39 1p97 h ASN 59 CO 0.08 0.70 0.61 0.25 -1.29 0.00 0.00 177.43 177.78 1p97 h LEU 60 N -0.81 0.62 0.61 0.34 5.85 -0.60 -1.61 115.31 119.71 1p97 h LEU 60 Ca -0.00 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1p97 h LEU 60 Cb 0.70 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.69 1p97 h LEU 60 CO 0.01 0.24 -0.29 0.00 -0.34 0.00 0.00 178.44 178.05 1p97 n THR 62 N -5.39 0.00 0.00 0.00 -1.04 -0.93 -3.51 114.28 103.41 1p97 n THR 62 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1p97 n THR 62 Cb 0.35 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 1p97 n THR 62 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1p97 n LYS 63 N -0.53 2.37 -0.53 -2.82 4.76 -0.65 -5.00 118.16 115.76 1p97 n LYS 63 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1p97 n LYS 63 Cb 0.01 -0.79 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 1p97 n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1p97 n GLY 64 N 1.81 1.94 3.54 0.72 0.00 0.16 -4.94 105.19 108.41 1p97 n GLY 64 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1p97 n GLY 64 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1p97 s GLN 65 N -0.00 0.90 -0.09 1.61 0.74 -1.22 -1.71 119.66 119.88 1p97 s GLN 65 Ca 0.00 0.21 -0.07 0.00 0.05 0.00 0.00 55.36 55.54 1p97 s GLN 65 Cb 0.00 0.43 0.03 0.00 1.10 0.00 0.00 33.01 34.56 1p97 s GLN 65 CO 0.00 -0.28 0.24 0.54 -0.55 0.00 0.00 175.29 175.23 1p97 s VAL 66 N -1.22 -0.01 -0.52 1.34 0.11 -0.17 -4.45 120.40 115.48 1p97 s VAL 66 Ca -0.08 0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.03 1p97 s VAL 66 Cb -0.00 -0.34 0.13 0.00 -1.53 0.00 0.00 36.38 34.64 1p97 s VAL 66 CO 0.07 0.01 0.28 -0.69 -3.33 0.00 0.00 175.10 171.44 1p97 s VAL 67 N 0.39 2.92 0.79 2.04 1.01 -1.26 0.16 120.40 126.45 1p97 s VAL 67 Ca -0.02 -3.01 -0.12 0.00 0.00 0.00 0.00 61.98 58.83 1p97 s VAL 67 Cb -0.04 -2.99 0.07 0.00 0.00 0.00 0.00 36.38 33.41 1p97 s VAL 67 CO -0.02 -0.79 1.12 -0.44 0.00 0.00 0.00 175.10 174.97 1p97 s SER 68 N 0.28 4.61 0.10 3.32 0.01 0.07 -4.99 113.70 117.10 1p97 s SER 68 Ca 0.16 1.13 0.01 0.00 1.31 0.00 0.00 55.95 58.55 1p97 s SER 68 Cb -0.23 -1.82 0.01 0.00 0.21 0.00 0.00 66.02 64.19 1p97 s SER 68 CO -0.02 -1.88 0.08 0.61 0.41 0.00 0.00 173.24 172.44 1p97 n GLY 69 N -2.55 2.90 3.47 3.44 0.00 -1.26 -3.99 105.19 107.20 1p97 n GLY 69 Ca 0.07 -2.19 -0.51 0.00 0.00 0.00 0.00 46.02 43.39 1p97 n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1p97 n GLN 70 N -0.78 1.10 -4.19 1.61 6.02 -1.22 -4.24 117.38 115.69 1p97 n GLN 70 Ca -0.00 0.32 -0.27 0.00 -0.01 0.00 0.00 57.00 57.04 1p97 n GLN 70 Cb 0.11 -2.42 -0.06 0.00 1.02 0.00 0.00 30.24 28.90 1p97 n GLN 70 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 1p97 s TYR 71 N 6.88 2.19 -0.37 1.08 -0.85 0.13 -4.83 117.35 121.57 1p97 s TYR 71 Ca 1.08 -0.73 -0.05 0.00 -0.52 0.00 0.00 57.07 56.86 1p97 s TYR 71 Cb -0.88 -1.88 0.08 0.00 0.38 0.00 0.00 41.96 39.65 1p97 s TYR 71 CO 0.51 0.01 0.15 0.50 -1.52 0.00 0.00 175.55 175.20 1p97 s ARG 72 N -4.00 2.34 -0.07 -3.49 3.52 -1.26 -1.16 118.95 114.83 1p97 s ARG 72 Ca 0.32 -1.50 -0.02 0.00 -0.13 0.00 0.00 55.73 54.40 1p97 s ARG 72 Cb 0.02 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.86 1p97 s ARG 72 CO 0.18 -0.87 0.04 1.41 -0.81 0.00 0.00 175.30 175.25 1p97 s MET 73 N 1.27 3.06 0.00 5.12 1.75 0.67 -3.54 119.30 127.64 1p97 s MET 73 Ca 0.02 -0.39 -0.30 0.00 -1.25 0.00 0.00 55.69 53.77 1p97 s MET 73 Cb -0.22 -2.87 -0.04 0.00 2.84 0.00 0.00 34.83 34.54 1p97 s MET 73 CO -0.01 0.70 1.19 -1.17 -0.65 0.00 0.00 175.02 175.07 1p97 s LEU 74 N -1.16 4.33 0.00 4.11 2.96 -1.07 -0.54 118.68 127.31 1p97 s LEU 74 Ca 0.16 1.90 0.00 0.00 -0.22 0.00 0.00 54.13 55.97 1p97 s LEU 74 Cb -0.12 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1p97 s LEU 74 CO 0.06 -0.51 0.00 0.00 -1.32 0.00 0.00 176.35 174.58 1p97 n ALA 75 N 4.53 0.00 0.07 5.97 0.00 0.62 -4.94 120.51 126.77 1p97 n ALA 75 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.54 1p97 n ALA 75 Cb 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 1p97 n ALA 75 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1p97 h LYS 76 N 0.00 0.00 -0.40 0.00 3.64 -1.16 -3.34 116.57 115.31 1p97 h LYS 76 Ca 0.00 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.14 1p97 h LYS 76 Cb 0.00 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 31.67 1p97 h LYS 76 CO 0.00 0.40 -0.19 -2.39 -2.27 0.00 0.00 179.45 175.00 1p97 n HIS 77 N -3.03 1.31 -1.19 1.91 1.44 -1.26 -4.86 115.22 109.53 1p97 n HIS 77 Ca -0.05 -1.78 -0.07 0.00 -2.01 0.00 0.00 57.72 53.82 1p97 n HIS 77 Cb 0.80 -0.50 -0.03 0.00 0.12 0.00 0.00 29.99 30.39 1p97 n HIS 77 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1p97 n GLY 78 N -1.06 0.83 3.94 -1.39 0.00 -1.25 -5.00 105.19 101.26 1p97 n GLY 78 Ca 0.35 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1p97 n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p97 s GLY 79 N -2.54 1.72 -0.04 -0.02 0.00 -1.26 -4.84 107.32 100.35 1p97 s GLY 79 Ca 0.00 -1.16 -0.00 0.00 0.00 0.00 0.00 44.72 43.56 1p97 s GLY 79 CO 0.00 -0.59 0.01 -0.19 0.00 0.00 0.00 173.10 172.34 1p97 s TYR 80 N -3.47 0.30 0.04 1.90 2.02 -1.13 -0.27 117.35 116.74 1p97 s TYR 80 Ca 0.66 0.03 0.08 0.00 -0.37 0.00 0.00 57.07 57.47 1p97 s TYR 80 Cb -0.07 -0.48 -0.03 0.00 -0.40 0.00 0.00 41.96 40.98 1p97 s TYR 80 CO 0.48 -0.17 -0.21 0.14 -1.57 0.00 0.00 175.55 174.22 1p97 s VAL 81 N 1.41 2.59 -0.31 0.71 -7.23 0.30 0.87 120.40 118.74 1p97 s VAL 81 Ca -0.04 -1.25 -0.16 0.00 -1.81 0.00 0.00 61.98 58.71 1p97 s VAL 81 Cb -0.13 -2.07 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 1p97 s VAL 81 CO -0.03 0.34 0.42 0.26 -0.31 0.00 0.00 175.10 175.79 1p97 s TRP 82 N -0.89 3.22 0.20 2.82 0.52 -1.20 -0.24 118.94 123.37 1p97 s TRP 82 Ca 0.14 0.24 0.05 0.00 0.02 0.00 0.00 56.10 56.55 1p97 s TRP 82 Cb -0.10 -2.72 -0.05 0.00 -1.15 0.00 0.00 33.47 29.45 1p97 s TRP 82 CO 0.04 -0.38 -0.08 -0.51 0.02 0.00 0.00 176.95 176.04 1p97 s LEU 83 N 2.17 2.44 -0.02 2.99 1.02 -0.31 -0.92 118.68 126.06 1p97 s LEU 83 Ca 0.16 -1.09 0.07 0.00 0.02 0.00 0.00 54.13 53.29 1p97 s LEU 83 Cb -0.16 -0.45 -0.02 0.00 0.02 0.00 0.00 46.19 45.58 1p97 s LEU 83 CO 0.11 -0.34 -0.24 -0.70 0.02 0.00 0.00 176.35 175.21 1p97 s GLU 84 N -3.75 2.18 -0.25 1.70 2.12 -0.16 0.19 118.70 120.73 1p97 s GLU 84 Ca 0.23 -0.89 -0.06 0.00 0.36 0.00 0.00 54.97 54.61 1p97 s GLU 84 Cb 0.03 -2.10 -0.01 0.00 0.26 0.00 0.00 34.13 32.30 1p97 s GLU 84 CO 0.06 0.57 0.04 0.99 -0.54 0.00 0.00 175.26 176.37 1p97 s THR 85 N -0.64 3.90 -0.58 -1.70 2.01 -1.26 -0.78 115.64 116.60 1p97 s THR 85 Ca 0.10 -0.42 -0.19 0.00 0.31 0.00 0.00 61.69 61.49 1p97 s THR 85 Cb -0.10 -2.87 0.09 0.00 0.01 0.00 0.00 72.50 69.63 1p97 s THR 85 CO -0.01 0.29 0.71 -1.58 -0.69 0.00 0.00 174.62 173.34 1p97 s GLN 86 N 1.54 3.07 0.20 4.92 0.74 0.04 -0.75 119.66 129.42 1p97 s GLN 86 Ca 0.05 -1.19 0.07 0.00 0.05 0.00 0.00 55.36 54.33 1p97 s GLN 86 Cb -0.15 -4.23 -0.04 0.00 1.10 0.00 0.00 33.01 29.69 1p97 s GLN 86 CO 0.01 -1.50 0.09 0.20 -0.55 0.00 0.00 175.29 173.55 1p97 s GLY 87 N 3.44 1.64 -0.15 2.59 0.00 0.12 -0.86 107.32 114.10 1p97 s GLY 87 Ca 0.13 -1.36 -0.17 0.00 0.00 0.00 0.00 44.72 43.32 1p97 s GLY 87 CO 0.08 -1.38 0.46 -1.59 0.00 0.00 0.00 173.10 170.66 1p97 s THR 88 N -1.90 0.01 -0.26 0.90 2.01 -0.56 -1.00 115.64 114.83 1p97 s THR 88 Ca 0.30 -0.04 -0.14 0.00 0.31 0.00 0.00 61.69 62.12 1p97 s THR 88 Cb -0.09 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 1p97 s THR 88 CO 0.22 -0.02 0.33 -0.69 -0.69 0.00 0.00 174.62 173.76 1p97 s VAL 89 N 0.04 5.22 -0.47 3.82 1.01 -0.70 -0.03 120.40 129.29 1p97 s VAL 89 Ca -0.02 0.49 -0.20 0.00 0.00 0.00 0.00 61.98 62.25 1p97 s VAL 89 Cb -0.03 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.73 1p97 s VAL 89 CO 0.01 0.20 0.65 -0.51 0.00 0.00 0.00 175.10 175.45 1p97 s ILE 90 N 1.84 4.82 0.47 2.22 2.07 0.77 -4.91 121.20 128.48 1p97 s ILE 90 Ca 0.13 -0.09 -0.13 0.00 -1.41 0.00 0.00 60.65 59.16 1p97 s ILE 90 Cb -0.15 -4.25 -0.07 0.00 0.13 0.00 0.00 42.46 38.12 1p97 s ILE 90 CO 0.09 -0.69 0.87 -0.31 -1.91 0.00 0.00 174.94 173.00 1p97 s TYR 91 N 2.81 3.48 0.18 3.50 2.02 -1.26 -0.79 117.35 127.29 1p97 s TYR 91 Ca 0.20 1.22 -0.30 0.00 -0.37 0.00 0.00 57.07 57.82 1p97 s TYR 91 Cb -0.16 -2.59 -0.08 0.00 -0.40 0.00 0.00 41.96 38.73 1p97 s TYR 91 CO 0.17 -0.26 1.30 1.21 -1.57 0.00 0.00 175.55 176.39 1p97 s ASN 92 N -3.25 6.92 0.41 2.29 3.84 -0.66 -4.74 114.94 119.76 1p97 s ASN 92 Ca 0.54 2.35 0.18 0.00 0.21 0.00 0.00 52.86 56.15 1p97 s ASN 92 Cb -0.10 -2.61 0.91 0.00 -0.55 0.00 0.00 41.25 38.90 1p97 s ASN 92 CO 0.34 -0.52 1.87 1.55 -2.79 0.00 0.00 177.10 177.55 1p97 h PRO 93 N 5.57 0.00 0.06 0.43 0.13 -1.96 0.80 132.00 137.02 1p97 h PRO 93 Ca -0.44 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.46 1p97 h PRO 93 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1p97 h PRO 93 CO 0.78 0.30 -1.18 0.00 -0.23 0.00 0.00 178.00 177.67 1p97 h ARG 94 N 0.00 0.12 0.00 0.86 2.47 -1.99 -3.41 114.38 112.44 1p97 h ARG 94 Ca -0.00 -0.21 -0.00 0.00 -1.26 0.00 0.00 59.98 58.50 1p97 h ARG 94 Cb 0.62 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.02 1p97 h ARG 94 CO 0.04 1.10 -1.56 0.09 0.56 0.00 0.00 179.97 180.20 1p97 n ASN 95 N -4.18 2.22 -2.25 7.04 4.13 -1.23 -4.98 115.26 116.01 1p97 n ASN 95 Ca -0.26 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 55.91 1p97 n ASN 95 Cb 0.77 1.54 -0.01 0.00 -1.54 0.00 0.00 39.78 40.54 1p97 n ASN 95 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1p97 n LEU 96 N -1.93 -0.88 -4.84 3.41 4.77 0.28 -4.91 117.00 112.89 1p97 n LEU 96 Ca -0.03 0.26 -0.31 0.00 -0.03 0.00 0.00 56.01 55.90 1p97 n LEU 96 Cb 0.33 -1.86 0.04 0.00 -2.33 0.00 0.00 43.42 39.60 1p97 n LEU 96 CO 0.26 -0.17 0.72 0.00 -1.33 0.00 0.00 177.39 176.86 1p97 s GLN 97 N -4.64 3.03 -0.71 3.23 1.03 -1.26 -4.53 119.66 115.80 1p97 s GLN 97 Ca 0.00 0.78 -0.25 0.00 0.04 0.00 0.00 55.36 55.93 1p97 s GLN 97 Cb 0.00 -2.01 -0.14 0.00 0.03 0.00 0.00 33.01 30.88 1p97 s GLN 97 CO 0.00 -0.99 2.44 -0.35 -2.54 0.00 0.00 175.29 173.85 1p97 n PRO 98 N -3.03 0.62 -0.02 9.60 -0.04 -1.26 -1.65 135.00 139.22 1p97 n PRO 98 Ca 0.07 -0.24 -0.16 0.00 -0.04 0.00 0.00 63.50 63.13 1p97 n PRO 98 Cb 0.55 -2.93 -0.13 0.00 -0.04 0.00 0.00 33.50 30.95 1p97 n PRO 98 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1p97 h GLN 99 N 15.57 0.16 -2.73 0.54 5.75 -1.62 -3.26 115.11 129.53 1p97 h GLN 99 Ca -0.11 -0.22 -0.07 0.00 -0.15 0.00 0.00 58.65 58.09 1p97 h GLN 99 Cb 1.19 0.07 -0.17 0.00 1.07 0.00 0.00 27.48 29.64 1p97 h GLN 99 CO 1.21 1.03 -0.02 0.00 -2.65 0.00 0.00 178.83 178.39 1p97 s ILE 101 N -2.02 3.76 -0.45 0.00 1.09 0.88 -0.16 121.20 124.31 1p97 s ILE 101 Ca -0.08 -0.39 -0.17 0.00 -1.10 0.00 0.00 60.65 58.91 1p97 s ILE 101 Cb -0.01 -2.67 0.04 0.00 -1.06 0.00 0.00 42.46 38.76 1p97 s ILE 101 CO 0.01 0.46 0.47 -0.04 -0.10 0.00 0.00 174.94 175.75 1p97 s MET 102 N 0.74 3.08 -0.31 2.79 -1.94 0.96 -0.03 119.30 124.59 1p97 s MET 102 Ca -0.02 -0.90 -0.06 0.00 -1.71 0.00 0.00 55.69 53.00 1p97 s MET 102 Cb -0.14 -4.03 0.02 0.00 2.01 0.00 0.00 34.83 32.69 1p97 s MET 102 CO 0.02 -0.96 0.08 0.00 -0.01 0.00 0.00 175.02 174.15 1p97 s VAL 104 N 1.45 5.06 -0.13 0.00 1.01 -0.04 -0.91 120.40 126.84 1p97 s VAL 104 Ca 0.01 0.40 -0.06 0.00 0.00 0.00 0.00 61.98 62.34 1p97 s VAL 104 Cb -0.18 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1p97 s VAL 104 CO 0.02 -0.11 0.08 0.20 0.00 0.00 0.00 175.10 175.28 1p97 s ASN 105 N 1.71 5.82 -0.38 3.32 0.01 -1.06 -0.78 114.94 123.59 1p97 s ASN 105 Ca 0.18 0.25 0.03 0.00 -0.71 0.00 0.00 52.86 52.62 1p97 s ASN 105 Cb -0.16 -1.86 0.11 0.00 0.41 0.00 0.00 41.25 39.76 1p97 s ASN 105 CO 0.12 0.33 0.11 -0.31 -1.51 0.00 0.00 177.10 175.84 1p97 s TYR 106 N -0.55 3.35 -0.54 2.20 1.51 0.04 -2.49 117.35 120.87 1p97 s TYR 106 Ca 0.11 -2.89 -0.27 0.00 -1.01 0.00 0.00 57.07 53.01 1p97 s TYR 106 Cb -0.12 -2.74 -0.00 0.00 -0.11 0.00 0.00 41.96 38.99 1p97 s TYR 106 CO 0.02 -0.89 1.63 0.08 -1.11 0.00 0.00 175.55 175.28 1p97 s VAL 107 N 0.69 3.59 0.00 0.71 1.01 0.11 -0.99 120.40 125.53 1p97 s VAL 107 Ca 0.12 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1p97 s VAL 107 Cb -0.21 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1p97 s VAL 107 CO -0.08 -0.97 0.00 0.18 0.00 0.00 0.00 175.10 174.23 1p97 n LEU 108 N 10.75 0.75 -4.82 3.92 4.77 -0.10 -3.67 117.00 128.60 1p97 n LEU 108 Ca 0.17 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.81 1p97 n LEU 108 Cb 0.50 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1p97 n LEU 108 CO 0.71 0.00 0.68 -0.44 -1.33 0.00 0.00 177.39 177.00 1p97 s SER 109 N -1.00 6.68 0.90 -1.43 0.01 -1.13 -4.98 113.70 112.75 1p97 s SER 109 Ca 0.00 1.74 -0.08 0.00 1.31 0.00 0.00 55.95 58.92 1p97 s SER 109 Cb 0.00 -2.54 0.14 0.00 0.21 0.00 0.00 66.02 63.83 1p97 s SER 109 CO 0.00 -0.55 0.84 -1.84 0.41 0.00 0.00 173.24 172.10 1p97 n GLU 110 N -0.94 -0.61 -1.65 12.44 0.28 -1.26 -3.28 120.64 125.62 1p97 n GLU 110 Ca 0.08 -1.50 -0.45 0.00 -0.16 0.00 0.00 57.16 55.13 1p97 n GLU 110 Cb 0.54 -0.79 -0.04 0.00 1.43 0.00 0.00 31.44 32.57 1p97 n GLU 110 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1p97 n ILE 111 N -3.01 0.63 -3.39 3.84 5.41 -1.26 -4.50 119.36 117.08 1p97 n ILE 111 Ca 0.11 -0.18 -0.44 0.00 1.00 0.00 0.00 62.75 63.25 1p97 n ILE 111 Cb 0.39 -2.18 -0.08 0.00 -0.71 0.00 0.00 39.64 37.06 1p97 n ILE 111 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1p97 s GLU 112 N 4.69 2.99 -0.08 0.38 2.12 0.25 -4.92 118.70 124.13 1p97 s GLU 112 Ca 0.93 -1.18 0.04 0.00 0.36 0.00 0.00 54.97 55.12 1p97 s GLU 112 Cb -0.53 -4.07 -0.01 0.00 0.26 0.00 0.00 34.13 29.78 1p97 s GLU 112 CO 0.45 -0.94 -0.22 0.15 -0.54 0.00 0.00 175.26 174.16 1p97 s LYS 113 N 1.74 2.84 0.00 4.30 1.02 -1.26 -2.82 119.74 125.57 1p97 s LYS 113 Ca 0.05 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.20 1p97 s LYS 113 Cb -0.22 -2.30 0.00 0.00 -0.52 0.00 0.00 37.83 34.79 1p97 s LYS 113 CO 0.08 0.31 0.00 -1.71 -0.92 0.00 0.00 175.35 173.12