#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 3.60 0.81 4.03 1.02 -1.26 -5.04 118.68 121.84 1xk4 s LEU 2 Ca 0.00 2.29 -0.12 0.00 0.02 0.00 0.00 54.13 56.32 1xk4 s LEU 2 Cb 0.00 -4.59 0.08 0.00 0.02 0.00 0.00 46.19 41.70 1xk4 s LEU 2 CO 0.00 -1.60 1.15 0.42 0.02 0.00 0.00 176.35 176.34 1xk4 s THR 3 N -1.78 2.30 0.39 5.49 -4.23 -1.26 -4.86 115.64 111.70 1xk4 s THR 3 Ca 0.75 0.10 0.08 0.00 -1.18 0.00 0.00 61.69 61.43 1xk4 s THR 3 Cb -0.27 -3.04 0.21 0.00 1.34 0.00 0.00 72.50 70.73 1xk4 s THR 3 CO 0.34 -0.13 1.98 -0.33 -0.54 0.00 0.00 174.62 175.94 1xk4 h GLU 4 N -1.08 0.40 -0.09 3.99 4.39 -1.99 -1.24 114.58 118.97 1xk4 h GLU 4 Ca -0.47 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.16 1xk4 h GLU 4 Cb 1.31 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1xk4 h GLU 4 CO 0.65 0.38 -0.02 1.25 -1.16 0.00 0.00 179.01 180.10 1xk4 h LEU 5 N 0.39 0.18 -0.94 1.33 6.46 -2.00 -1.75 115.31 118.98 1xk4 h LEU 5 Ca 0.09 -0.37 0.05 0.00 -0.12 0.00 0.00 57.88 57.54 1xk4 h LEU 5 Cb 0.17 -0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.00 1xk4 h LEU 5 CO -0.00 0.50 0.60 -0.33 -0.62 0.00 0.00 178.44 178.59 1xk4 h GLU 6 N -0.15 1.10 -0.21 1.25 5.08 -1.86 -1.89 114.58 117.90 1xk4 h GLU 6 Ca 0.02 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1xk4 h GLU 6 Cb 0.42 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1xk4 h GLU 6 CO 0.01 0.73 -0.24 0.87 -1.00 0.00 0.00 179.01 179.38 1xk4 h LYS 7 N 1.13 0.38 -0.47 2.33 1.57 -1.19 -1.02 116.57 119.30 1xk4 h LYS 7 Ca 0.39 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.90 1xk4 h LYS 7 Cb 0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1xk4 h LYS 7 CO -0.15 0.60 -0.23 0.00 -0.57 0.00 0.00 179.45 179.10 1xk4 h ALA 8 N 1.41 0.70 -0.37 3.86 0.00 -0.59 -1.31 119.26 122.96 1xk4 h ALA 8 Ca 0.05 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1xk4 h ALA 8 Cb 0.61 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1xk4 h ALA 8 CO 0.04 0.67 0.19 -0.07 0.00 0.00 0.00 179.25 180.09 1xk4 h LEU 9 N 0.84 0.47 -1.28 0.00 3.38 -1.14 -2.17 115.31 115.41 1xk4 h LEU 9 Ca 0.10 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1xk4 h LEU 9 Cb 0.81 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1xk4 h LEU 9 CO 0.07 0.44 -0.01 0.78 0.09 0.00 0.00 178.44 179.81 1xk4 h ASN 10 N 0.47 0.44 0.36 -0.43 2.35 -1.03 -2.70 115.58 115.03 1xk4 h ASN 10 Ca 0.13 -0.08 -0.12 0.00 -0.55 0.00 0.00 56.30 55.68 1xk4 h ASN 10 Cb 0.08 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1xk4 h ASN 10 CO -0.02 0.52 -0.50 -1.28 -1.65 0.00 0.00 177.43 174.50 1xk4 h SER 11 N 0.46 0.18 -0.98 5.81 0.87 -0.94 -1.80 113.55 117.14 1xk4 h SER 11 Ca 0.10 -0.09 0.14 0.00 -1.23 0.00 0.00 61.79 60.71 1xk4 h SER 11 Cb 0.32 -0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 62.14 1xk4 h SER 11 CO 0.01 0.65 0.61 0.40 -0.53 0.00 0.00 176.83 177.96 1xk4 h ILE 12 N 0.13 0.85 -0.77 2.23 2.04 -1.05 -0.37 117.51 120.57 1xk4 h ILE 12 Ca 0.00 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1xk4 h ILE 12 Cb 0.93 -0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1xk4 h ILE 12 CO 0.07 0.16 0.35 0.40 0.00 0.00 0.00 178.15 179.14 1xk4 h ILE 13 N 0.90 1.25 -0.48 -0.67 2.04 -1.36 -2.42 117.51 116.77 1xk4 h ILE 13 Ca 0.51 -0.72 -0.10 0.00 1.00 0.00 0.00 64.86 65.55 1xk4 h ILE 13 Cb 0.60 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1xk4 h ILE 13 CO -0.30 0.30 -0.10 0.44 0.00 0.00 0.00 178.15 178.49 1xk4 h ASP 14 N 1.09 0.86 -0.03 1.72 3.32 -0.98 -1.09 116.42 121.31 1xk4 h ASP 14 Ca 0.26 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1xk4 h ASP 14 Cb 0.14 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1xk4 h ASP 14 CO -0.03 0.98 -0.05 0.58 -1.72 0.00 0.00 179.24 179.00 1xk4 h VAL 15 N 0.79 0.87 -0.30 -1.35 2.07 -0.98 -1.29 116.25 116.05 1xk4 h VAL 15 Ca 0.13 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.72 1xk4 h VAL 15 Cb 0.61 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 1xk4 h VAL 15 CO 0.04 0.00 -0.14 0.22 0.02 0.00 0.00 177.57 177.71 1xk4 h TYR 16 N -0.07 -0.33 -0.20 1.57 3.20 -0.92 -2.83 116.97 117.39 1xk4 h TYR 16 Ca 0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1xk4 h TYR 16 Cb 0.11 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1xk4 h TYR 16 CO -0.13 -0.21 0.13 0.45 -1.64 0.00 0.00 178.16 176.76 1xk4 h HIS 17 N -0.09 0.26 -0.79 -3.82 3.86 -0.91 0.04 115.15 113.70 1xk4 h HIS 17 Ca 0.15 0.01 0.20 0.00 -1.16 0.00 0.00 60.37 59.57 1xk4 h HIS 17 Cb 0.32 -0.09 -0.05 0.00 1.06 0.00 0.00 27.41 28.66 1xk4 h HIS 17 CO -0.34 0.17 0.54 0.87 0.86 0.00 0.00 177.93 180.03 1xk4 h LYS 18 N 0.27 0.21 0.00 2.45 1.57 -0.98 -1.96 116.57 118.14 1xk4 h LYS 18 Ca 0.07 -0.01 -0.31 0.00 -1.87 0.00 0.00 60.65 58.53 1xk4 h LYS 18 Cb -0.02 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.18 1xk4 h LYS 18 CO -0.02 0.14 -2.19 0.66 -0.57 0.00 0.00 179.45 177.48 1xk4 n TYR 19 N -4.42 0.00 0.23 -1.35 4.01 -0.47 -4.32 117.16 110.84 1xk4 n TYR 19 Ca 0.16 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 58.01 1xk4 n TYR 19 Cb 0.71 -0.84 0.46 0.00 -0.31 0.00 0.00 39.34 39.36 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 0.00 0.00 0.26 7.72 4.64 -1.01 -2.92 113.55 122.24 1xk4 h SER 20 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1xk4 h SER 20 Cb 1.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.07 1xk4 h SER 20 CO -0.00 0.19 -0.08 0.18 -0.87 0.00 0.00 176.83 176.25 1xk4 n LEU 21 N -3.32 0.51 -0.04 5.97 4.32 -0.74 -4.16 117.00 119.55 1xk4 n LEU 21 Ca 0.01 -0.05 -0.08 0.00 -0.02 0.00 0.00 56.01 55.86 1xk4 n LEU 21 Cb 0.43 -0.13 -0.02 0.00 -1.62 0.00 0.00 43.42 42.07 1xk4 n LEU 21 CO 0.33 0.09 0.81 0.40 -1.22 0.00 0.00 177.39 177.80 1xk4 h ILE 22 N 0.68 0.74 -3.17 -0.08 2.04 -1.70 -3.46 117.51 112.55 1xk4 h ILE 22 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1xk4 h ILE 22 Cb 0.32 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 1xk4 h ILE 22 CO 0.00 0.00 0.13 -1.59 0.00 0.00 0.00 178.15 176.69 1xk4 s LYS 23 N -6.19 1.68 5.97 2.37 -2.85 -1.26 -5.13 119.74 114.32 1xk4 s LYS 23 Ca -0.14 -1.02 0.00 0.00 -1.00 0.00 0.00 55.97 53.82 1xk4 s LYS 23 Cb 0.11 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.45 1xk4 s LYS 23 CO 0.69 -0.75 0.00 0.41 0.10 0.00 0.00 175.35 175.80 1xk4 n GLY 24 N -0.43 3.18 3.70 0.59 0.00 -1.26 -4.60 105.19 106.37 1xk4 n GLY 24 Ca -0.05 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 6.79 0.05 1.61 3.84 -1.26 -4.89 114.94 117.08 1xk4 s ASN 25 Ca 0.00 2.29 0.18 0.00 0.21 0.00 0.00 52.86 55.54 1xk4 s ASN 25 Cb 0.00 -2.57 0.74 0.00 -0.55 0.00 0.00 41.25 38.87 1xk4 s ASN 25 CO 0.00 -0.72 1.56 0.49 -2.79 0.00 0.00 177.10 175.64 1xk4 n PHE 26 N 4.66 0.16 -0.99 0.43 3.72 -1.26 -1.77 117.46 122.42 1xk4 n PHE 26 Ca 0.13 0.06 0.06 0.00 -0.05 0.00 0.00 57.45 57.65 1xk4 n PHE 26 Cb 0.42 -0.60 0.32 0.00 -0.94 0.00 0.00 39.48 38.68 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 -1.64 1.55 -4.32 1.38 8.25 -1.26 -4.39 115.22 114.78 1xk4 n HIS 27 Ca 0.04 -0.89 -0.20 0.00 -0.26 0.00 0.00 57.72 56.41 1xk4 n HIS 27 Cb 0.20 -0.44 -0.16 0.00 1.12 0.00 0.00 29.99 30.72 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 -2.85 0.78 -0.27 -1.41 0.00 -0.73 -4.45 121.76 112.83 1xk4 s ALA 28 Ca 0.48 -0.26 -0.04 0.00 0.00 0.00 0.00 51.96 52.14 1xk4 s ALA 28 Cb 0.38 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.21 1xk4 s ALA 28 CO 0.12 0.11 0.00 0.08 0.00 0.00 0.00 175.76 176.06 1xk4 s VAL 29 N 0.30 3.35 0.80 0.00 1.01 -0.23 -4.45 120.40 121.17 1xk4 s VAL 29 Ca -0.04 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 1xk4 s VAL 29 Cb -0.09 -2.72 0.11 0.00 0.00 0.00 0.00 36.38 33.68 1xk4 s VAL 29 CO 0.00 0.14 1.13 -0.31 0.00 0.00 0.00 175.10 176.07 1xk4 s TYR 30 N 1.40 2.50 0.13 5.22 2.02 -1.26 -0.48 117.35 126.88 1xk4 s TYR 30 Ca 0.01 0.44 -0.19 0.00 -0.37 0.00 0.00 57.07 56.96 1xk4 s TYR 30 Cb -0.17 -3.49 -0.02 0.00 -0.40 0.00 0.00 41.96 37.88 1xk4 s TYR 30 CO -0.01 -1.84 1.75 -0.09 -1.57 0.00 0.00 175.55 173.78 1xk4 h ARG 31 N -0.98 0.17 -0.38 -0.62 2.43 -1.99 0.65 114.38 113.67 1xk4 h ARG 31 Ca -0.44 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 58.64 1xk4 h ARG 31 Cb 1.30 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 1xk4 h ARG 31 CO 0.55 0.11 -0.09 0.38 -1.51 0.00 0.00 179.97 179.42 1xk4 h ASP 32 N 0.18 0.64 -0.71 -3.80 2.03 -1.98 -2.39 116.42 110.39 1xk4 h ASP 32 Ca 0.10 -0.17 0.01 0.00 -0.73 0.00 0.00 57.03 56.24 1xk4 h ASP 32 Cb 0.07 -0.17 -0.04 0.00 -0.83 0.00 0.00 39.33 38.37 1xk4 h ASP 32 CO -0.11 0.77 0.47 0.44 -1.03 0.00 0.00 179.24 179.78 1xk4 h ASP 33 N 0.60 0.80 -0.18 4.15 3.32 -1.63 -2.72 116.42 120.76 1xk4 h ASP 33 Ca 0.11 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 1xk4 h ASP 33 Cb 0.51 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1xk4 h ASP 33 CO 0.03 0.58 -0.41 0.25 -1.72 0.00 0.00 179.24 177.97 1xk4 h LEU 34 N 0.94 0.77 -0.59 1.55 5.85 -0.43 -1.28 115.31 122.13 1xk4 h LEU 34 Ca 0.26 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.67 1xk4 h LEU 34 Cb -0.09 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.68 1xk4 h LEU 34 CO -0.06 1.08 0.34 0.50 -0.34 0.00 0.00 178.44 179.96 1xk4 h LYS 35 N 0.59 0.63 -0.49 1.25 3.64 -1.21 0.16 116.57 121.14 1xk4 h LYS 35 Ca 0.05 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1xk4 h LYS 35 Cb 0.95 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 1xk4 h LYS 35 CO 0.09 0.42 0.23 0.87 -2.27 0.00 0.00 179.45 178.78 1xk4 h LYS 36 N 0.65 0.70 -0.19 1.90 1.57 -1.35 -0.84 116.57 119.01 1xk4 h LYS 36 Ca 0.25 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1xk4 h LYS 36 Cb 0.09 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1xk4 h LYS 36 CO -0.13 0.60 0.04 1.25 -0.57 0.00 0.00 179.45 180.64 1xk4 h LEU 37 N 0.64 0.02 -0.61 2.94 6.46 -0.65 -0.50 115.31 123.61 1xk4 h LEU 37 Ca 0.17 0.03 -0.07 0.00 -0.12 0.00 0.00 57.88 57.89 1xk4 h LEU 37 Cb 0.13 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 1xk4 h LEU 37 CO -0.02 0.04 0.12 -0.07 -0.62 0.00 0.00 178.44 177.89 1xk4 h LEU 38 N 0.13 0.94 -1.00 2.25 3.38 -0.53 0.34 115.31 120.82 1xk4 h LEU 38 Ca 0.09 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1xk4 h LEU 38 Cb 0.07 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1xk4 h LEU 38 CO -0.11 0.95 0.18 -0.33 0.09 0.00 0.00 178.44 179.22 1xk4 h GLU 39 N 0.90 0.91 0.09 1.13 5.08 -1.06 -2.37 114.58 119.27 1xk4 h GLU 39 Ca 0.19 -0.17 -0.32 0.00 -1.00 0.00 0.00 59.36 58.06 1xk4 h GLU 39 Cb 0.39 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1xk4 h GLU 39 CO 0.01 0.79 -1.67 1.15 -1.00 0.00 0.00 179.01 178.29 1xk4 h THR 40 N 0.88 0.98 0.00 1.13 2.02 -0.71 -3.42 112.91 113.80 1xk4 h THR 40 Ca 0.20 -2.68 0.00 0.00 0.77 0.00 0.00 66.41 64.70 1xk4 h THR 40 Cb 0.26 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 1xk4 h THR 40 CO -0.01 0.77 -1.53 -0.62 0.37 0.00 0.00 175.52 174.51 1xk4 n GLU 41 N -3.38 0.57 -4.60 6.66 -0.58 0.12 -5.03 120.64 114.39 1xk4 n GLU 41 Ca -0.20 -0.11 -0.30 0.00 -0.42 0.00 0.00 57.16 56.13 1xk4 n GLU 41 Cb 1.04 -1.29 -0.13 0.00 -0.57 0.00 0.00 31.44 30.49 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 -3.41 3.56 1.02 1.62 1.04 -0.89 -5.03 113.70 111.61 1xk4 s SER 42 Ca -0.04 -0.56 -0.13 0.00 0.48 0.00 0.00 55.95 55.71 1xk4 s SER 42 Cb 0.08 -0.44 0.20 0.00 0.10 0.00 0.00 66.02 65.97 1xk4 s SER 42 CO 0.54 0.23 1.09 -2.16 0.98 0.00 0.00 173.24 173.92 1xk4 s PRO 43 N -1.65 0.23 0.40 4.02 0.04 -1.26 -4.65 135.00 132.14 1xk4 s PRO 43 Ca 0.14 0.50 0.10 0.00 0.04 0.00 0.00 61.00 61.78 1xk4 s PRO 43 Cb -0.10 -1.72 0.84 0.00 0.04 0.00 0.00 34.50 33.56 1xk4 s PRO 43 CO 0.06 -2.86 1.96 0.37 0.04 0.00 0.00 177.00 176.56 1xk4 h GLN 44 N -1.99 0.26 0.00 4.56 5.75 -1.98 -0.30 115.11 121.41 1xk4 h GLN 44 Ca -0.56 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 57.90 1xk4 h GLN 44 Cb 1.33 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.84 1xk4 h GLN 44 CO 0.57 0.34 0.00 0.10 -2.65 0.00 0.00 178.83 177.19 1xk4 h TYR 45 N 0.25 0.00 0.00 3.99 -0.00 -2.00 0.11 116.97 119.32 1xk4 h TYR 45 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.64 1xk4 h TYR 45 Cb 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.98 1xk4 h TYR 45 CO 0.00 0.00 -0.87 0.82 -0.00 0.00 0.00 178.16 178.12 1xk4 h ILE 46 N 0.00 0.87 -0.94 -0.90 1.08 -1.68 -3.39 117.51 112.55 1xk4 h ILE 46 Ca 0.00 -1.96 0.20 0.00 -0.39 0.00 0.00 64.86 62.71 1xk4 h ILE 46 Cb 0.58 1.95 -0.08 0.00 -3.07 0.00 0.00 36.82 36.20 1xk4 h ILE 46 CO 0.00 0.30 0.61 0.03 -0.69 0.00 0.00 178.15 178.39 1xk4 h ARG 47 N -1.00 0.52 0.00 2.37 3.08 -0.94 -2.38 114.38 116.03 1xk4 h ARG 47 Ca -0.22 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1xk4 h ARG 47 Cb 1.06 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1xk4 h ARG 47 CO -0.13 0.34 0.00 1.57 -1.07 0.00 0.00 179.97 180.68 1xk4 h LYS 48 N 0.53 0.00 -0.04 0.04 2.10 -0.97 -1.10 116.57 117.13 1xk4 h LYS 48 Ca 0.51 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 59.11 1xk4 h LYS 48 Cb 1.08 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.40 1xk4 h LYS 48 CO -0.24 0.00 -0.20 -0.22 -2.00 0.00 0.00 179.45 176.79 1xk4 h LYS 49 N 0.00 0.06 0.00 0.07 3.64 -1.67 -3.49 116.57 115.18 1xk4 h LYS 49 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1xk4 h LYS 49 Cb 0.09 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1xk4 h LYS 49 CO 0.00 0.27 0.00 0.41 -2.27 0.00 0.00 179.45 177.86 1xk4 n GLY 50 N -0.88 2.32 0.21 5.01 0.00 -0.42 -4.59 105.19 106.84 1xk4 n GLY 50 Ca -0.02 -1.53 -0.05 0.00 0.00 0.00 0.00 46.02 44.42 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 0.93 -0.40 4.61 0.00 -1.95 -1.43 119.26 121.03 1xk4 h ALA 51 Ca 0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 1xk4 h ALA 51 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1xk4 h ALA 51 CO 0.00 0.64 -0.15 -0.44 0.00 0.00 0.00 179.25 179.30 1xk4 h ASP 52 N 0.33 0.73 -0.15 0.00 3.32 -1.95 0.25 116.42 118.95 1xk4 h ASP 52 Ca 0.02 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 56.80 1xk4 h ASP 52 Cb 0.91 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 1xk4 h ASP 52 CO 0.08 0.89 -0.06 0.58 -1.72 0.00 0.00 179.24 179.01 1xk4 h VAL 53 N 0.66 1.31 -0.40 -1.35 2.07 -1.77 -2.12 116.25 114.65 1xk4 h VAL 53 Ca 0.11 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1xk4 h VAL 53 Cb 0.63 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 1xk4 h VAL 53 CO 0.04 0.31 0.24 -0.50 0.02 0.00 0.00 177.57 177.68 1xk4 h TRP 54 N -0.03 0.53 -0.25 1.57 4.06 -1.10 -1.05 115.95 119.69 1xk4 h TRP 54 Ca 0.03 -0.00 0.04 0.00 2.06 0.00 0.00 58.89 61.02 1xk4 h TRP 54 Cb 0.52 -0.17 -0.04 0.00 -1.00 0.00 0.00 29.16 28.47 1xk4 h TRP 54 CO 0.06 0.38 0.02 0.35 -3.56 0.00 0.00 178.44 175.69 1xk4 h PHE 55 N 0.52 0.03 -0.64 0.49 3.57 -0.50 -0.58 116.94 119.84 1xk4 h PHE 55 Ca 0.14 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1xk4 h PHE 55 Cb 0.01 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 1xk4 h PHE 55 CO -0.03 -0.01 0.41 -0.22 -2.23 0.00 0.00 178.31 176.23 1xk4 h LYS 56 N 0.11 0.82 -0.81 1.11 3.64 -1.20 -0.20 116.57 120.03 1xk4 h LYS 56 Ca 0.12 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1xk4 h LYS 56 Cb 0.14 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 1xk4 h LYS 56 CO -0.18 0.54 0.53 1.49 -2.27 0.00 0.00 179.45 179.57 1xk4 h GLU 57 N 0.84 0.99 0.00 1.90 4.81 -0.75 -3.25 114.58 119.13 1xk4 h GLU 57 Ca 0.24 -0.06 -0.20 0.00 -0.13 0.00 0.00 59.36 59.21 1xk4 h GLU 57 Cb -0.07 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.05 1xk4 h GLU 57 CO -0.06 0.66 -1.45 -0.07 -0.73 0.00 0.00 179.01 177.35 1xk4 h LEU 58 N 1.02 0.00 -7.32 1.64 3.38 -0.58 -3.41 115.31 110.04 1xk4 h LEU 58 Ca 0.31 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.58 1xk4 h LEU 58 Cb -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.65 1xk4 h LEU 58 CO -0.09 0.71 2.23 -0.67 0.09 0.00 0.00 178.44 180.72 1xk4 n ASP 59 N -2.96 4.78 -0.13 -0.43 2.03 -0.13 -4.76 116.55 114.94 1xk4 n ASP 59 Ca -0.11 -2.93 -0.07 0.00 0.52 0.00 0.00 54.79 52.20 1xk4 n ASP 59 Cb 0.90 -1.67 0.01 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 4.90 1.06 -0.40 5.18 1.08 -1.83 -2.21 117.51 125.29 1xk4 h ILE 60 Ca 0.45 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.74 1xk4 h ILE 60 Cb 0.80 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 1xk4 h ILE 60 CO 1.53 0.09 0.00 -0.46 -0.69 0.00 0.00 178.15 178.62 1xk4 n ASN 61 N -4.84 2.19 -4.20 1.72 6.94 -1.26 -4.95 115.26 110.86 1xk4 n ASN 61 Ca 0.01 -2.02 -0.30 0.00 -0.02 0.00 0.00 54.58 52.26 1xk4 n ASN 61 Cb 0.05 -0.28 -0.07 0.00 -2.36 0.00 0.00 39.78 37.12 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 0.66 -1.69 -0.04 5.53 -2.24 -0.83 -4.89 114.28 110.77 1xk4 n THR 62 Ca 0.13 -0.46 0.11 0.00 -2.27 0.00 0.00 64.05 61.57 1xk4 n THR 62 Cb 0.35 -1.59 0.26 0.00 -2.10 0.00 0.00 70.33 67.26 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 -2.90 3.66 0.00 3.42 5.75 -1.26 -4.96 116.55 120.26 1xk4 n ASP 63 Ca -0.29 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.50 1xk4 n ASP 63 Cb 0.68 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 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 1.51 0.57 3.33 6.12 0.00 -1.26 -5.03 105.19 110.44 1xk4 n GLY 64 Ca 0.21 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.04 -0.26 4.61 0.00 -1.26 -4.51 121.76 118.30 1xk4 s ALA 65 Ca 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 1xk4 s ALA 65 Cb 0.00 0.83 0.02 0.00 0.00 0.00 0.00 23.12 23.97 1xk4 s ALA 65 CO 0.00 -0.64 -0.03 0.08 0.00 0.00 0.00 175.76 175.17 1xk4 s VAL 66 N -3.96 3.09 0.62 0.00 1.01 0.37 -4.68 120.40 116.85 1xk4 s VAL 66 Ca 0.16 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 1xk4 s VAL 66 Cb 0.03 -2.58 0.13 0.00 0.00 0.00 0.00 36.38 33.97 1xk4 s VAL 66 CO -0.01 0.17 0.84 -0.46 0.00 0.00 0.00 175.10 175.64 1xk4 n ASN 67 N 4.71 0.45 -0.17 3.32 0.23 -1.26 -1.07 115.26 121.46 1xk4 n ASN 67 Ca -0.16 -1.54 -0.10 0.00 -0.53 0.00 0.00 54.58 52.25 1xk4 n ASN 67 Cb 0.47 -0.61 0.00 0.00 -2.08 0.00 0.00 39.78 37.57 1xk4 n ASN 67 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1xk4 h PHE 68 N -1.12 1.00 -0.45 -2.53 3.57 -2.00 0.65 116.94 116.07 1xk4 h PHE 68 Ca -0.27 -0.19 -0.09 0.00 3.53 0.00 0.00 57.97 60.95 1xk4 h PHE 68 Cb 0.85 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1xk4 h PHE 68 CO 0.00 0.95 -0.07 -0.56 -2.23 0.00 0.00 178.31 176.40 1xk4 h GLN 69 N 0.77 0.79 -0.66 1.11 3.07 -1.97 -0.14 115.11 118.07 1xk4 h GLN 69 Ca 0.14 -0.24 -0.05 0.00 0.09 0.00 0.00 58.65 58.58 1xk4 h GLN 69 Cb 0.58 -0.08 -0.03 0.00 0.08 0.00 0.00 27.48 28.04 1xk4 h GLN 69 CO 0.03 0.84 0.20 0.93 0.09 0.00 0.00 178.83 180.93 1xk4 h GLU 70 N 0.72 1.02 -0.77 0.06 5.08 -1.80 -2.83 114.58 116.06 1xk4 h GLU 70 Ca 0.13 -0.22 0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1xk4 h GLU 70 Cb 0.54 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1xk4 h GLU 70 CO 0.03 0.90 0.51 0.35 -1.00 0.00 0.00 179.01 179.79 1xk4 h PHE 71 N 0.96 0.88 -0.07 4.33 3.57 0.21 -1.88 116.94 124.93 1xk4 h PHE 71 Ca 0.21 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.76 1xk4 h PHE 71 Cb 0.30 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1xk4 h PHE 71 CO 0.02 0.49 0.22 -0.07 -2.23 0.00 0.00 178.31 176.74 1xk4 h LEU 72 N 0.89 0.00 -0.13 0.59 3.38 -0.80 -1.60 115.31 117.63 1xk4 h LEU 72 Ca 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1xk4 h LEU 72 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1xk4 h LEU 72 CO -0.10 0.00 0.03 0.40 0.09 0.00 0.00 178.44 178.86 1xk4 h ILE 73 N 0.00 1.20 -0.51 1.22 2.04 -1.42 -0.12 117.51 119.92 1xk4 h ILE 73 Ca 0.03 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.27 1xk4 h ILE 73 Cb 0.48 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1xk4 h ILE 73 CO -0.00 0.19 0.32 0.25 0.00 0.00 0.00 178.15 178.91 1xk4 h LEU 74 N 0.01 0.53 -0.24 1.44 5.85 -1.45 -0.51 115.31 120.94 1xk4 h LEU 74 Ca 0.04 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1xk4 h LEU 74 Cb 0.27 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1xk4 h LEU 74 CO 0.00 0.38 0.16 0.58 -0.34 0.00 0.00 178.44 179.22 1xk4 h VAL 75 N 0.64 1.06 -0.20 1.05 2.07 -1.19 0.33 116.25 120.01 1xk4 h VAL 75 Ca 0.20 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1xk4 h VAL 75 Cb -0.02 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1xk4 h VAL 75 CO -0.07 0.06 0.02 0.40 0.02 0.00 0.00 177.57 178.00 1xk4 h ILE 76 N 0.33 0.88 -0.70 4.57 2.04 -0.86 -0.45 117.51 123.32 1xk4 h ILE 76 Ca 0.09 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 1xk4 h ILE 76 Cb -0.03 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1xk4 h ILE 76 CO -0.02 0.02 0.28 0.11 0.00 0.00 0.00 178.15 178.54 1xk4 h LYS 77 N 0.09 1.05 -0.72 2.37 1.57 -0.87 -1.14 116.57 118.92 1xk4 h LYS 77 Ca 0.09 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1xk4 h LYS 77 Cb 0.11 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1xk4 h LYS 77 CO -0.14 0.86 0.43 0.52 -0.57 0.00 0.00 179.45 180.55 1xk4 h MET 78 N 1.00 0.99 -0.30 3.15 2.86 -0.77 -1.67 114.93 120.18 1xk4 h MET 78 Ca 0.23 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1xk4 h MET 78 Cb 0.20 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1xk4 h MET 78 CO -0.02 0.71 0.13 0.78 1.06 0.00 0.00 176.91 179.57 1xk4 h GLY 79 N 0.99 0.48 1.00 8.32 0.00 -0.73 0.92 103.07 114.04 1xk4 h GLY 79 Ca 0.26 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1xk4 h GLY 79 CO -0.05 0.24 0.17 -2.08 0.00 0.00 0.00 176.54 174.82 1xk4 h VAL 80 N 0.35 1.07 -0.44 4.60 2.07 -1.19 0.15 116.25 122.86 1xk4 h VAL 80 Ca 0.10 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 1xk4 h VAL 80 Cb 0.15 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1xk4 h VAL 80 CO -0.01 0.07 -0.01 0.00 0.02 0.00 0.00 177.57 177.64 1xk4 h ALA 81 N 1.09 0.59 -0.80 1.67 0.00 -1.20 -1.91 119.26 118.69 1xk4 h ALA 81 Ca 0.09 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1xk4 h ALA 81 Cb -0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1xk4 h ALA 81 CO -0.02 0.38 0.33 0.00 0.00 0.00 0.00 179.25 179.95 1xk4 h ALA 82 N 0.90 1.04 -0.64 0.00 0.00 -0.64 -1.25 119.26 118.67 1xk4 h ALA 82 Ca 0.12 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xk4 h ALA 82 Cb 0.50 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1xk4 h ALA 82 CO 0.02 0.66 0.42 1.25 0.00 0.00 0.00 179.25 181.60 1xk4 h HIS 83 N 1.16 0.81 -0.40 0.00 6.17 -0.57 0.22 115.15 122.53 1xk4 h HIS 83 Ca 0.27 0.02 0.07 0.00 0.71 0.00 0.00 60.37 61.44 1xk4 h HIS 83 Cb 0.20 -0.27 -0.06 0.00 2.52 0.00 0.00 27.41 29.80 1xk4 h HIS 83 CO 0.02 0.51 0.04 0.87 0.71 0.00 0.00 177.93 180.07 1xk4 h LYS 84 N 0.87 0.15 -0.60 5.26 1.57 -1.03 -2.84 116.57 119.94 1xk4 h LYS 84 Ca 0.23 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1xk4 h LYS 84 Cb -0.10 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 1xk4 h LYS 84 CO -0.05 0.10 0.28 0.87 -0.57 0.00 0.00 179.45 180.07 1xk4 h LYS 85 N 0.15 0.87 0.00 3.15 1.79 -0.76 -2.71 116.57 119.06 1xk4 h LYS 85 Ca 0.20 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1xk4 h LYS 85 Cb 0.26 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1xk4 h LYS 85 CO -0.30 0.71 0.00 -1.13 -1.08 0.00 0.00 179.45 177.65 1xk4 n SER 86 N -4.51 0.00 0.00 0.86 3.41 0.02 -5.11 113.62 108.30 1xk4 n SER 86 Ca 0.04 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1xk4 n SER 86 Cb 0.13 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1xk4 n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88