#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xk4 s LEU 2 N 0.00 4.06 0.96 4.03 1.02 -1.26 -5.03 118.68 122.46 1xk4 s LEU 2 Ca 0.00 2.48 -0.13 0.00 0.02 0.00 0.00 54.13 56.50 1xk4 s LEU 2 Cb 0.00 -4.13 0.17 0.00 0.02 0.00 0.00 46.19 42.25 1xk4 s LEU 2 CO 0.00 -0.98 1.14 0.42 0.02 0.00 0.00 176.35 176.95 1xk4 s THR 3 N -1.41 1.96 0.22 5.49 -4.23 -1.26 -4.83 115.64 111.58 1xk4 s THR 3 Ca 0.62 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 61.09 1xk4 s THR 3 Cb -0.33 -2.69 0.06 0.00 1.34 0.00 0.00 72.50 70.87 1xk4 s THR 3 CO 0.41 0.00 1.66 -0.33 -0.54 0.00 0.00 174.62 175.82 1xk4 h GLU 4 N -1.70 0.82 -0.17 3.99 4.39 -1.99 -1.24 114.58 118.69 1xk4 h GLU 4 Ca -0.50 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 58.91 1xk4 h GLU 4 Cb 1.32 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 1xk4 h GLU 4 CO 0.57 0.92 0.08 1.25 -1.16 0.00 0.00 179.01 180.67 1xk4 h LEU 5 N 0.73 0.13 -0.59 1.33 6.46 -1.99 -1.26 115.31 120.11 1xk4 h LEU 5 Ca 0.11 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.92 1xk4 h LEU 5 Cb 0.65 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.52 1xk4 h LEU 5 CO 0.05 0.10 0.34 -0.33 -0.62 0.00 0.00 178.44 177.98 1xk4 h GLU 6 N 0.18 0.65 -0.47 1.25 5.08 -1.87 -1.44 114.58 117.95 1xk4 h GLU 6 Ca 0.07 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1xk4 h GLU 6 Cb 0.01 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1xk4 h GLU 6 CO -0.04 0.43 0.22 0.87 -1.00 0.00 0.00 179.01 179.49 1xk4 h LYS 7 N 0.67 0.66 -0.29 2.33 1.57 -1.15 -1.35 116.57 119.00 1xk4 h LYS 7 Ca 0.25 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1xk4 h LYS 7 Cb 0.08 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1xk4 h LYS 7 CO -0.13 0.51 0.11 0.00 -0.57 0.00 0.00 179.45 179.37 1xk4 h ALA 8 N 1.59 0.38 -0.44 3.86 0.00 -0.71 -0.09 119.26 123.86 1xk4 h ALA 8 Ca 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1xk4 h ALA 8 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xk4 h ALA 8 CO -0.02 -0.01 0.25 -0.07 0.00 0.00 0.00 179.25 179.40 1xk4 h LEU 9 N 0.32 0.54 -1.42 0.00 3.38 -0.78 -2.27 115.31 115.07 1xk4 h LEU 9 Ca 0.10 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xk4 h LEU 9 Cb 0.20 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1xk4 h LEU 9 CO -0.01 0.46 0.35 0.78 0.09 0.00 0.00 178.44 180.11 1xk4 h ASN 10 N 0.57 0.64 0.14 -0.43 2.35 -1.10 -2.31 115.58 115.45 1xk4 h ASN 10 Ca 0.16 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 1xk4 h ASN 10 Cb 0.03 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1xk4 h ASN 10 CO -0.03 0.48 -0.23 -1.28 -1.65 0.00 0.00 177.43 174.72 1xk4 h SER 11 N 0.75 0.17 -0.77 5.81 0.87 -0.56 -1.49 113.55 118.34 1xk4 h SER 11 Ca 0.20 -0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1xk4 h SER 11 Cb -0.06 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 61.81 1xk4 h SER 11 CO -0.04 0.41 0.51 0.40 -0.53 0.00 0.00 176.83 177.59 1xk4 h ILE 12 N 0.16 1.17 -0.29 2.23 2.04 -0.86 -0.63 117.51 121.34 1xk4 h ILE 12 Ca 0.03 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 1xk4 h ILE 12 Cb 0.51 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1xk4 h ILE 12 CO 0.03 0.18 0.05 0.40 0.00 0.00 0.00 178.15 178.82 1xk4 h ILE 13 N 1.01 1.23 -0.93 -0.67 2.04 -1.31 -2.59 117.51 116.30 1xk4 h ILE 13 Ca 0.29 -0.77 0.12 0.00 1.00 0.00 0.00 64.86 65.50 1xk4 h ILE 13 Cb -0.06 1.18 -0.08 0.00 -0.74 0.00 0.00 36.82 37.12 1xk4 h ILE 13 CO -0.07 0.25 0.56 0.44 0.00 0.00 0.00 178.15 179.32 1xk4 h ASP 14 N 0.30 0.80 -0.46 1.72 3.32 -0.94 -1.82 116.42 119.33 1xk4 h ASP 14 Ca 0.09 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1xk4 h ASP 14 Cb 0.32 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1xk4 h ASP 14 CO 0.00 0.42 0.23 0.58 -1.72 0.00 0.00 179.24 178.76 1xk4 h VAL 15 N 0.88 1.18 -0.50 -1.35 2.07 -0.98 -1.04 116.25 116.51 1xk4 h VAL 15 Ca 0.46 -0.50 0.05 0.00 0.82 0.00 0.00 66.70 67.53 1xk4 h VAL 15 Cb 0.47 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1xk4 h VAL 15 CO -0.27 0.20 0.22 0.22 0.02 0.00 0.00 177.57 177.96 1xk4 h TYR 16 N 0.61 0.40 0.00 1.57 3.20 -1.05 -2.86 116.97 118.84 1xk4 h TYR 16 Ca 0.16 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 1xk4 h TYR 16 Cb 0.11 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1xk4 h TYR 16 CO -0.01 0.17 -0.36 0.45 -1.64 0.00 0.00 178.16 176.77 1xk4 h HIS 17 N 0.43 0.00 -0.89 -3.82 3.86 -0.86 0.04 115.15 113.91 1xk4 h HIS 17 Ca 0.23 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.57 1xk4 h HIS 17 Cb 0.19 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.59 1xk4 h HIS 17 CO -0.13 0.36 0.57 0.87 0.86 0.00 0.00 177.93 180.47 1xk4 h LYS 18 N 0.00 0.73 0.03 2.45 1.57 -0.96 -2.38 116.57 118.02 1xk4 h LYS 18 Ca -0.00 -0.04 -0.34 0.00 -1.87 0.00 0.00 60.65 58.40 1xk4 h LYS 18 Cb 0.71 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.81 1xk4 h LYS 18 CO 0.05 0.49 -2.01 0.66 -0.57 0.00 0.00 179.45 178.07 1xk4 n TYR 19 N -4.56 0.72 0.34 -1.35 4.01 -0.66 -4.32 117.16 111.35 1xk4 n TYR 19 Ca 0.17 0.22 0.14 0.00 -0.16 0.00 0.00 57.90 58.27 1xk4 n TYR 19 Cb 0.42 -1.12 0.48 0.00 -0.31 0.00 0.00 39.34 38.81 1xk4 n TYR 19 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1xk4 h SER 20 N 0.02 0.00 0.01 7.72 4.64 -0.95 -2.90 113.55 122.09 1xk4 h SER 20 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1xk4 h SER 20 Cb 2.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.15 1xk4 h SER 20 CO 0.05 0.00 -0.03 0.18 -0.87 0.00 0.00 176.83 176.16 1xk4 n LEU 21 N -2.77 1.51 -0.09 5.97 4.32 -0.90 -4.14 117.00 120.89 1xk4 n LEU 21 Ca 0.02 -0.50 -0.10 0.00 -0.02 0.00 0.00 56.01 55.42 1xk4 n LEU 21 Cb 0.36 -0.01 -0.02 0.00 -1.62 0.00 0.00 43.42 42.12 1xk4 n LEU 21 CO 0.28 0.26 0.93 0.40 -1.22 0.00 0.00 177.39 178.03 1xk4 h ILE 22 N 2.33 1.15 -3.08 -0.08 2.04 -1.70 -3.47 117.51 114.70 1xk4 h ILE 22 Ca 0.00 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.47 1xk4 h ILE 22 Cb 0.52 0.87 -0.08 0.00 -0.74 0.00 0.00 36.82 37.40 1xk4 h ILE 22 CO 0.00 0.15 0.18 -1.59 0.00 0.00 0.00 178.15 176.89 1xk4 s LYS 23 N -5.75 1.57 5.77 2.37 -2.85 -1.26 -5.13 119.74 114.46 1xk4 s LYS 23 Ca -0.13 -0.83 0.00 0.00 -1.00 0.00 0.00 55.97 54.00 1xk4 s LYS 23 Cb 0.09 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.44 1xk4 s LYS 23 CO 0.72 -0.70 0.00 0.41 0.10 0.00 0.00 175.35 175.88 1xk4 n GLY 24 N -0.41 2.60 3.72 0.59 0.00 -1.26 -4.55 105.19 105.86 1xk4 n GLY 24 Ca -0.09 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1xk4 n GLY 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xk4 s ASN 25 N -4.00 6.74 0.00 1.61 3.84 -1.26 -4.90 114.94 116.98 1xk4 s ASN 25 Ca 0.00 2.42 0.21 0.00 0.21 0.00 0.00 52.86 55.70 1xk4 s ASN 25 Cb 0.00 -2.59 1.03 0.00 -0.55 0.00 0.00 41.25 39.14 1xk4 s ASN 25 CO 0.00 -0.71 1.68 0.49 -2.79 0.00 0.00 177.10 175.76 1xk4 n PHE 26 N 4.01 0.00 -1.06 0.43 3.72 -1.26 -1.85 117.46 121.45 1xk4 n PHE 26 Ca 0.12 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.53 1xk4 n PHE 26 Cb 0.41 -0.33 0.30 0.00 -0.94 0.00 0.00 39.48 38.92 1xk4 n PHE 26 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1xk4 n HIS 27 N -1.33 1.81 -4.09 1.38 8.25 -1.26 -4.49 115.22 115.48 1xk4 n HIS 27 Ca 0.09 -1.08 -0.16 0.00 -0.26 0.00 0.00 57.72 56.31 1xk4 n HIS 27 Cb 0.18 -0.53 -0.15 0.00 1.12 0.00 0.00 29.99 30.61 1xk4 n HIS 27 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xk4 s ALA 28 N -2.94 0.40 -0.25 -1.41 0.00 -0.77 -4.46 121.76 112.33 1xk4 s ALA 28 Ca 0.50 -0.11 -0.04 0.00 0.00 0.00 0.00 51.96 52.31 1xk4 s ALA 28 Cb 0.41 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.35 1xk4 s ALA 28 CO 0.11 0.05 -0.01 0.08 0.00 0.00 0.00 175.76 175.99 1xk4 s VAL 29 N 0.23 3.44 0.77 0.00 1.01 -0.58 -4.49 120.40 120.78 1xk4 s VAL 29 Ca -0.02 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 1xk4 s VAL 29 Cb -0.06 -2.68 0.13 0.00 0.00 0.00 0.00 36.38 33.77 1xk4 s VAL 29 CO -0.00 0.26 1.06 -0.31 0.00 0.00 0.00 175.10 176.11 1xk4 s TYR 30 N 1.45 1.89 0.21 5.22 2.02 -1.26 -0.63 117.35 126.24 1xk4 s TYR 30 Ca 0.03 0.00 -0.10 0.00 -0.37 0.00 0.00 57.07 56.63 1xk4 s TYR 30 Cb -0.16 -3.28 0.16 0.00 -0.40 0.00 0.00 41.96 38.28 1xk4 s TYR 30 CO -0.02 -1.84 1.88 -0.09 -1.57 0.00 0.00 175.55 173.92 1xk4 h ARG 31 N -0.77 1.00 -0.48 -0.62 2.43 -1.99 0.11 114.38 114.06 1xk4 h ARG 31 Ca -0.40 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 58.60 1xk4 h ARG 31 Cb 1.27 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 1xk4 h ARG 31 CO 0.44 0.67 -0.14 0.38 -1.51 0.00 0.00 179.97 179.80 1xk4 h ASP 32 N 1.03 0.92 -0.83 -3.80 2.03 -1.98 -2.15 116.42 111.64 1xk4 h ASP 32 Ca 0.28 -0.31 0.01 0.00 -0.73 0.00 0.00 57.03 56.28 1xk4 h ASP 32 Cb -0.11 -0.25 -0.04 0.00 -0.83 0.00 0.00 39.33 38.09 1xk4 h ASP 32 CO -0.06 1.06 0.55 0.44 -1.03 0.00 0.00 179.24 180.20 1xk4 h ASP 33 N 0.81 0.95 0.12 4.15 3.32 -1.70 -2.66 116.42 121.42 1xk4 h ASP 33 Ca 0.12 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 1xk4 h ASP 33 Cb 0.68 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1xk4 h ASP 33 CO 0.05 0.68 -0.43 0.25 -1.72 0.00 0.00 179.24 178.08 1xk4 h LEU 34 N 1.12 0.41 -0.62 1.55 5.85 -0.45 -1.47 115.31 121.69 1xk4 h LEU 34 Ca 0.31 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1xk4 h LEU 34 Cb -0.12 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 1xk4 h LEU 34 CO -0.07 0.79 0.41 0.50 -0.34 0.00 0.00 178.44 179.73 1xk4 h LYS 35 N 0.32 0.82 -0.58 1.25 3.64 -1.09 -0.32 116.57 120.60 1xk4 h LYS 35 Ca 0.03 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1xk4 h LYS 35 Cb 0.88 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1xk4 h LYS 35 CO 0.07 0.54 0.15 0.87 -2.27 0.00 0.00 179.45 178.82 1xk4 h LYS 36 N 0.84 0.92 -0.06 1.90 1.57 -1.23 -1.30 116.57 119.20 1xk4 h LYS 36 Ca 0.23 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1xk4 h LYS 36 Cb -0.09 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 1xk4 h LYS 36 CO -0.05 0.85 -0.12 1.25 -0.57 0.00 0.00 179.45 180.81 1xk4 h LEU 37 N 0.83 -0.37 -0.61 2.94 6.46 -0.90 -0.65 115.31 123.02 1xk4 h LEU 37 Ca 0.18 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.98 1xk4 h LEU 37 Cb 0.33 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 1xk4 h LEU 37 CO -0.00 -0.17 0.28 -0.07 -0.62 0.00 0.00 178.44 177.86 1xk4 h LEU 38 N -0.18 0.81 -1.07 2.25 3.38 -0.81 0.22 115.31 119.91 1xk4 h LEU 38 Ca 0.07 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1xk4 h LEU 38 Cb 0.27 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1xk4 h LEU 38 CO -0.17 0.73 0.21 -0.33 0.09 0.00 0.00 178.44 178.97 1xk4 h GLU 39 N 0.84 0.87 0.12 1.13 5.08 -1.06 -2.40 114.58 119.16 1xk4 h GLU 39 Ca 0.21 -0.15 -0.35 0.00 -1.00 0.00 0.00 59.36 58.07 1xk4 h GLU 39 Cb 0.14 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1xk4 h GLU 39 CO -0.02 0.73 -1.87 1.15 -1.00 0.00 0.00 179.01 178.00 1xk4 h THR 40 N 0.85 0.76 0.00 1.13 2.02 -0.78 -3.42 112.91 113.48 1xk4 h THR 40 Ca 0.20 -2.46 -0.01 0.00 0.77 0.00 0.00 66.41 64.90 1xk4 h THR 40 Cb 0.21 2.57 -0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1xk4 h THR 40 CO -0.01 0.83 -1.79 -0.62 0.37 0.00 0.00 175.52 174.30 1xk4 n GLU 41 N -3.44 0.55 -4.27 6.66 -0.58 0.73 -5.01 120.64 115.29 1xk4 n GLU 41 Ca -0.27 -0.15 -0.29 0.00 -0.42 0.00 0.00 57.16 56.03 1xk4 n GLU 41 Cb 1.05 -1.41 -0.10 0.00 -0.57 0.00 0.00 31.44 30.41 1xk4 n GLU 41 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1xk4 s SER 42 N -4.01 4.16 0.90 1.62 1.04 -0.91 -5.05 113.70 111.46 1xk4 s SER 42 Ca -0.06 -0.49 -0.12 0.00 0.48 0.00 0.00 55.95 55.76 1xk4 s SER 42 Cb 0.11 -0.70 0.13 0.00 0.10 0.00 0.00 66.02 65.66 1xk4 s SER 42 CO 0.71 0.17 1.13 -2.16 0.98 0.00 0.00 173.24 174.06 1xk4 s PRO 43 N -2.27 1.24 0.42 4.02 0.04 -1.26 -4.69 135.00 132.50 1xk4 s PRO 43 Ca 0.20 0.38 0.11 0.00 0.04 0.00 0.00 61.00 61.73 1xk4 s PRO 43 Cb -0.11 -1.84 0.94 0.00 0.04 0.00 0.00 34.50 33.54 1xk4 s PRO 43 CO 0.12 -2.15 2.00 0.37 0.04 0.00 0.00 177.00 177.39 1xk4 h GLN 44 N -1.46 0.48 0.00 4.56 5.75 -1.98 -0.24 115.11 122.22 1xk4 h GLN 44 Ca -0.50 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 57.97 1xk4 h GLN 44 Cb 1.32 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.76 1xk4 h GLN 44 CO 0.61 0.32 0.00 0.10 -2.65 0.00 0.00 178.83 177.21 1xk4 h TYR 45 N 0.50 0.00 0.09 3.99 -0.00 -2.01 -1.43 116.97 118.10 1xk4 h TYR 45 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 58.73 58.63 1xk4 h TYR 45 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.04 1xk4 h TYR 45 CO -0.00 0.00 -1.93 -0.89 -0.00 0.00 0.00 178.16 175.34 1xk4 n ILE 46 N -2.45 1.71 0.01 -0.90 2.08 -0.45 -4.46 119.36 114.90 1xk4 n ILE 46 Ca 0.03 -0.53 0.01 0.00 0.56 0.00 0.00 62.75 62.82 1xk4 n ILE 46 Cb 0.33 -1.76 0.35 0.00 -0.75 0.00 0.00 39.64 37.80 1xk4 n ILE 46 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 1xk4 h ARG 47 N -0.15 0.51 0.00 0.38 3.08 -0.91 -3.07 114.38 114.21 1xk4 h ARG 47 Ca -0.44 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1xk4 h ARG 47 Cb 1.88 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.85 1xk4 h ARG 47 CO 0.00 0.48 0.00 1.57 -1.07 0.00 0.00 179.97 180.95 1xk4 h LYS 48 N 0.50 0.00 -0.26 0.04 2.10 -1.48 -0.83 116.57 116.64 1xk4 h LYS 48 Ca 0.12 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.68 1xk4 h LYS 48 Cb 0.20 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.52 1xk4 h LYS 48 CO -0.00 0.00 -0.21 -0.22 -2.00 0.00 0.00 179.45 177.02 1xk4 h LYS 49 N 0.00 0.47 0.00 0.07 3.64 -1.81 -3.49 116.57 115.45 1xk4 h LYS 49 Ca 0.00 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1xk4 h LYS 49 Cb 0.14 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1xk4 h LYS 49 CO 0.00 0.66 0.00 0.41 -2.27 0.00 0.00 179.45 178.25 1xk4 n GLY 50 N -0.47 2.46 0.25 5.01 0.00 -0.32 -4.55 105.19 107.56 1xk4 n GLY 50 Ca -0.00 -1.61 -0.01 0.00 0.00 0.00 0.00 46.02 44.40 1xk4 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xk4 h ALA 51 N 0.00 1.27 -0.32 4.61 0.00 -1.95 -1.58 119.26 121.29 1xk4 h ALA 51 Ca 0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1xk4 h ALA 51 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1xk4 h ALA 51 CO 0.00 0.48 -0.11 -0.44 0.00 0.00 0.00 179.25 179.18 1xk4 h ASP 52 N 0.40 0.65 -0.07 0.00 3.32 -1.94 0.19 116.42 118.97 1xk4 h ASP 52 Ca 0.07 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1xk4 h ASP 52 Cb 0.50 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1xk4 h ASP 52 CO 0.03 0.89 0.04 0.58 -1.72 0.00 0.00 179.24 179.06 1xk4 h VAL 53 N 0.41 1.00 -0.62 -1.35 2.07 -1.77 -1.59 116.25 114.40 1xk4 h VAL 53 Ca 0.08 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.58 1xk4 h VAL 53 Cb 0.62 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1xk4 h VAL 53 CO 0.04 0.01 0.40 -0.50 0.02 0.00 0.00 177.57 177.55 1xk4 h TRP 54 N 0.08 0.76 -0.44 1.57 4.06 -1.18 -1.26 115.95 119.55 1xk4 h TRP 54 Ca 0.03 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.00 1xk4 h TRP 54 Cb 0.00 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 27.89 1xk4 h TRP 54 CO -0.08 0.47 0.27 0.35 -3.56 0.00 0.00 178.44 175.89 1xk4 h PHE 55 N 0.82 0.56 -0.68 0.49 3.57 -0.45 -0.29 116.94 120.95 1xk4 h PHE 55 Ca 0.23 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 1xk4 h PHE 55 Cb -0.07 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.45 1xk4 h PHE 55 CO -0.04 0.38 0.33 -0.22 -2.23 0.00 0.00 178.31 176.54 1xk4 h LYS 56 N 0.58 0.97 -0.20 1.11 3.64 -0.98 -0.37 116.57 121.33 1xk4 h LYS 56 Ca 0.16 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 1xk4 h LYS 56 Cb -0.03 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1xk4 h LYS 56 CO -0.03 0.75 -0.31 1.49 -2.27 0.00 0.00 179.45 179.07 1xk4 h GLU 57 N 0.97 0.39 0.00 1.90 4.81 -0.76 -3.29 114.58 118.61 1xk4 h GLU 57 Ca 0.24 -0.16 -0.14 0.00 -0.13 0.00 0.00 59.36 59.17 1xk4 h GLU 57 Cb 0.09 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1xk4 h GLU 57 CO -0.03 0.67 -1.28 -0.07 -0.73 0.00 0.00 179.01 177.57 1xk4 h LEU 58 N 0.34 0.00 -6.89 1.64 3.38 -0.54 -3.40 115.31 109.84 1xk4 h LEU 58 Ca 0.04 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.30 1xk4 h LEU 58 Cb 0.73 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.38 1xk4 h LEU 58 CO 0.06 0.49 2.35 -0.67 0.09 0.00 0.00 178.44 180.75 1xk4 n ASP 59 N -2.89 4.66 -0.32 -0.43 2.03 -0.19 -4.76 116.55 114.64 1xk4 n ASP 59 Ca -0.07 -2.94 -0.04 0.00 0.52 0.00 0.00 54.79 52.25 1xk4 n ASP 59 Cb 0.79 -1.63 0.08 0.00 -0.72 0.00 0.00 41.12 39.64 1xk4 n ASP 59 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1xk4 h ILE 60 N 4.48 1.24 -0.23 5.18 1.08 -1.83 -2.23 117.51 125.19 1xk4 h ILE 60 Ca 0.46 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1xk4 h ILE 60 Cb 0.74 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.51 1xk4 h ILE 60 CO 1.61 0.24 0.00 -0.46 -0.69 0.00 0.00 178.15 178.85 1xk4 n ASN 61 N -4.43 1.87 -4.05 1.72 6.94 -1.26 -4.96 115.26 111.09 1xk4 n ASN 61 Ca 0.09 -1.79 -0.29 0.00 -0.02 0.00 0.00 54.58 52.56 1xk4 n ASN 61 Cb 0.05 -0.15 -0.02 0.00 -2.36 0.00 0.00 39.78 37.29 1xk4 n ASN 61 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1xk4 n THR 62 N 0.47 -2.28 -0.25 5.53 -2.24 -0.84 -4.88 114.28 109.79 1xk4 n THR 62 Ca 0.16 -0.32 0.10 0.00 -2.27 0.00 0.00 64.05 61.71 1xk4 n THR 62 Cb 0.35 -2.28 0.26 0.00 -2.10 0.00 0.00 70.33 66.56 1xk4 n THR 62 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1xk4 n ASP 63 N -2.87 3.60 0.00 3.42 5.75 -1.26 -4.96 116.55 120.22 1xk4 n ASP 63 Ca -0.18 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.61 1xk4 n ASP 63 Cb 0.62 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 1xk4 n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xk4 n GLY 64 N 1.30 0.52 3.18 6.12 0.00 -1.26 -5.03 105.19 110.02 1xk4 n GLY 64 Ca 0.20 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 1xk4 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xk4 s ALA 65 N -2.00 -0.10 -0.29 4.61 0.00 -1.26 -4.48 121.76 118.24 1xk4 s ALA 65 Ca 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 51.96 51.21 1xk4 s ALA 65 Cb 0.00 0.42 0.01 0.00 0.00 0.00 0.00 23.12 23.55 1xk4 s ALA 65 CO 0.00 -0.46 0.06 0.08 0.00 0.00 0.00 175.76 175.44 1xk4 s VAL 66 N -3.70 3.83 0.84 0.00 1.01 0.20 -4.70 120.40 117.87 1xk4 s VAL 66 Ca 0.04 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 1xk4 s VAL 66 Cb 0.05 -2.97 0.17 0.00 0.00 0.00 0.00 36.38 33.63 1xk4 s VAL 66 CO -0.10 0.09 1.15 0.54 0.00 0.00 0.00 175.10 176.78 1xk4 s ASN 67 N 1.48 3.68 0.21 3.32 2.20 -1.26 -1.53 114.94 123.04 1xk4 s ASN 67 Ca 0.02 -0.23 -0.06 0.00 -0.94 0.00 0.00 52.86 51.66 1xk4 s ASN 67 Cb -0.17 0.07 0.18 0.00 -2.00 0.00 0.00 41.25 39.33 1xk4 s ASN 67 CO 0.02 -2.33 1.67 0.15 -2.94 0.00 0.00 177.10 173.67 1xk4 h PHE 68 N -1.05 1.00 -0.32 1.54 3.57 -2.00 -0.52 116.94 119.16 1xk4 h PHE 68 Ca -0.38 -0.18 -0.08 0.00 3.53 0.00 0.00 57.97 60.86 1xk4 h PHE 68 Cb 1.24 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 1xk4 h PHE 68 CO -0.73 0.93 -0.16 -0.56 -2.23 0.00 0.00 178.31 175.56 1xk4 h GLN 69 N 0.83 0.57 -0.46 1.11 3.07 -1.98 -1.72 115.11 116.54 1xk4 h GLN 69 Ca 0.14 -0.18 -0.08 0.00 0.09 0.00 0.00 58.65 58.62 1xk4 h GLN 69 Cb 0.58 -0.05 -0.02 0.00 0.08 0.00 0.00 27.48 28.07 1xk4 h GLN 69 CO 0.03 0.71 -0.01 0.93 0.09 0.00 0.00 178.83 180.58 1xk4 h GLU 70 N 0.52 0.82 -0.58 0.06 5.08 -1.78 -2.77 114.58 115.92 1xk4 h GLU 70 Ca 0.09 -0.27 0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1xk4 h GLU 70 Cb 0.57 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1xk4 h GLU 70 CO 0.04 0.88 0.39 0.35 -1.00 0.00 0.00 179.01 179.67 1xk4 h PHE 71 N 0.66 0.40 0.00 4.33 3.57 -0.60 -1.34 116.94 123.97 1xk4 h PHE 71 Ca 0.13 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1xk4 h PHE 71 Cb 0.52 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 1xk4 h PHE 71 CO 0.04 0.19 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.17 1xk4 h LEU 72 N 0.38 0.00 -0.45 0.59 3.38 -1.03 -1.18 115.31 117.00 1xk4 h LEU 72 Ca 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1xk4 h LEU 72 Cb 0.55 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1xk4 h LEU 72 CO -0.07 0.07 0.25 0.40 0.09 0.00 0.00 178.44 179.18 1xk4 h ILE 73 N 0.00 1.15 -0.47 1.22 2.04 -1.29 -0.58 117.51 119.59 1xk4 h ILE 73 Ca -0.00 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 1xk4 h ILE 73 Cb 0.25 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1xk4 h ILE 73 CO 0.01 0.16 0.28 0.25 0.00 0.00 0.00 178.15 178.85 1xk4 h LEU 74 N 0.59 0.58 -0.39 1.44 5.85 -1.35 -1.41 115.31 120.61 1xk4 h LEU 74 Ca 0.16 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1xk4 h LEU 74 Cb 0.03 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1xk4 h LEU 74 CO -0.03 0.48 0.23 0.58 -0.34 0.00 0.00 178.44 179.36 1xk4 h VAL 75 N 0.63 1.14 -0.05 1.05 2.07 -1.07 -0.62 116.25 119.40 1xk4 h VAL 75 Ca 0.17 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1xk4 h VAL 75 Cb 0.01 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1xk4 h VAL 75 CO -0.03 0.14 -0.10 0.40 0.02 0.00 0.00 177.57 178.01 1xk4 h ILE 76 N 0.51 0.74 -0.68 4.57 2.04 -0.96 0.32 117.51 124.06 1xk4 h ILE 76 Ca 0.14 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 1xk4 h ILE 76 Cb 0.03 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1xk4 h ILE 76 CO -0.02 0.00 0.36 0.11 0.00 0.00 0.00 178.15 178.59 1xk4 h LYS 77 N -0.14 0.94 -0.28 2.37 1.79 -1.05 -0.69 116.57 119.50 1xk4 h LYS 77 Ca 0.05 -0.10 -0.16 0.00 -2.18 0.00 0.00 60.65 58.26 1xk4 h LYS 77 Cb 0.21 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1xk4 h LYS 77 CO -0.13 0.70 -0.47 0.52 -1.08 0.00 0.00 179.45 178.99 1xk4 h MET 78 N 0.94 0.76 -0.36 3.15 2.86 -0.83 -1.74 114.93 119.71 1xk4 h MET 78 Ca 0.24 -0.43 -0.06 0.00 -2.06 0.00 0.00 59.70 57.38 1xk4 h MET 78 Cb 0.04 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1xk4 h MET 78 CO -0.04 1.06 -0.01 0.78 1.06 0.00 0.00 176.91 179.76 1xk4 h GLY 79 N 0.88 0.70 0.98 8.32 0.00 -0.44 0.45 103.07 113.96 1xk4 h GLY 79 Ca 0.03 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 1xk4 h GLY 79 CO 0.10 0.48 0.21 -2.08 0.00 0.00 0.00 176.54 175.26 1xk4 h VAL 80 N 0.46 1.22 -0.23 4.60 2.07 -1.11 0.14 116.25 123.40 1xk4 h VAL 80 Ca 0.10 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 1xk4 h VAL 80 Cb 0.48 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1xk4 h VAL 80 CO 0.02 0.25 -0.09 0.00 0.02 0.00 0.00 177.57 177.77 1xk4 h ALA 81 N 1.06 0.32 -0.63 1.67 0.00 -1.25 -1.91 119.26 118.51 1xk4 h ALA 81 Ca 0.18 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1xk4 h ALA 81 Cb 0.19 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1xk4 h ALA 81 CO -0.02 0.15 0.39 0.00 0.00 0.00 0.00 179.25 179.78 1xk4 h ALA 82 N 0.72 0.82 -0.71 0.00 0.00 -0.82 -1.53 119.26 117.74 1xk4 h ALA 82 Ca 0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xk4 h ALA 82 Cb 0.58 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1xk4 h ALA 82 CO 0.03 0.14 0.44 1.25 0.00 0.00 0.00 179.25 181.12 1xk4 h HIS 83 N 0.77 0.93 -0.23 0.00 6.17 -0.54 -0.67 115.15 121.59 1xk4 h HIS 83 Ca 0.25 0.01 0.06 0.00 0.71 0.00 0.00 60.37 61.40 1xk4 h HIS 83 Cb 0.02 -0.31 -0.06 0.00 2.52 0.00 0.00 27.41 29.58 1xk4 h HIS 83 CO -0.05 0.61 -0.16 0.87 0.71 0.00 0.00 177.93 179.91 1xk4 h LYS 84 N 0.97 -0.15 -0.58 5.26 1.57 -1.10 -2.92 116.57 119.63 1xk4 h LYS 84 Ca 0.26 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.06 1xk4 h LYS 84 Cb -0.06 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1xk4 h LYS 84 CO -0.05 -0.10 0.37 0.87 -0.57 0.00 0.00 179.45 179.97 1xk4 h LYS 85 N -0.15 0.72 0.00 3.15 1.79 -0.87 -2.64 116.57 118.57 1xk4 h LYS 85 Ca 0.13 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1xk4 h LYS 85 Cb 0.35 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1xk4 h LYS 85 CO -0.32 0.47 0.00 -1.13 -1.08 0.00 0.00 179.45 177.40 1xk4 n SER 86 N -4.72 0.21 0.00 0.86 3.41 -0.29 -5.11 113.62 107.98 1xk4 n SER 86 Ca 0.04 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 1xk4 n SER 86 Cb 0.05 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 1xk4 n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88