#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qkh s VAL 9 N 0.00 4.39 0.13 1.61 -7.23 -1.26 -5.07 120.40 112.97 1qkh s VAL 9 Ca 0.00 1.48 0.07 0.00 -1.81 0.00 0.00 61.98 61.72 1qkh s VAL 9 Cb 0.00 -3.60 -0.04 0.00 0.56 0.00 0.00 36.38 33.30 1qkh s VAL 9 CO 0.00 -0.32 -0.04 0.72 -0.31 0.00 0.00 175.10 175.15 1qkh s PHE 10 N -2.18 2.84 -0.41 2.82 -0.71 -0.99 -4.97 117.98 114.38 1qkh s PHE 10 Ca 0.62 -0.12 -0.15 0.00 -1.04 0.00 0.00 56.93 56.24 1qkh s PHE 10 Cb -0.09 -1.44 0.02 0.00 -1.21 0.00 0.00 43.02 40.30 1qkh s PHE 10 CO 0.13 0.47 0.30 0.08 -1.34 0.00 0.00 175.22 174.86 1qkh s VAL 11 N -1.42 5.25 -0.37 -2.49 1.01 -1.26 -0.48 120.40 120.63 1qkh s VAL 11 Ca 0.25 -0.65 -0.38 0.00 0.00 0.00 0.00 61.98 61.20 1qkh s VAL 11 Cb -0.11 -3.92 -0.13 0.00 0.00 0.00 0.00 36.38 32.22 1qkh s VAL 11 CO 0.17 -0.30 2.14 -0.67 0.00 0.00 0.00 175.10 176.43 1qkh n ASP 12 N 5.16 1.87 0.25 3.32 2.03 -1.26 -4.77 116.55 123.14 1qkh n ASP 12 Ca -0.11 0.53 0.12 0.00 0.52 0.00 0.00 54.79 55.85 1qkh n ASP 12 Cb 0.47 -1.18 0.62 0.00 -0.72 0.00 0.00 41.12 40.31 1qkh n ASP 12 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1qkh h ASP 13 N 11.18 0.00 0.32 1.67 3.58 -1.97 -2.48 116.42 128.72 1qkh h ASP 13 Ca -0.25 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.15 1qkh h ASP 13 Cb 1.34 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.38 1qkh h ASP 13 CO 1.03 0.15 -0.24 -0.74 -2.88 0.00 0.00 179.24 176.56 1qkh h HIS 14 N 0.00 0.00 0.08 0.28 2.76 -1.95 -1.76 115.15 114.55 1qkh h HIS 14 Ca -0.00 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 57.90 1qkh h HIS 14 Cb 0.54 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.51 1qkh h HIS 14 CO 0.00 0.24 -1.14 1.37 -1.30 0.00 0.00 177.93 177.10 1qkh h LEU 15 N 0.00 0.68 -0.53 0.26 8.10 -1.67 -3.26 115.31 118.89 1qkh h LEU 15 Ca -0.00 -0.62 -0.00 0.00 0.11 0.00 0.00 57.88 57.37 1qkh h LEU 15 Cb 0.47 -0.21 -0.03 0.00 -0.44 0.00 0.00 40.66 40.45 1qkh h LEU 15 CO 0.03 1.44 0.32 -0.07 -4.11 0.00 0.00 178.44 176.05 1qkh h LEU 16 N 0.23 0.64 -2.04 0.17 4.07 -1.40 0.44 115.31 117.41 1qkh h LEU 16 Ca -0.14 -0.06 0.09 0.00 0.08 0.00 0.00 57.88 57.85 1qkh h LEU 16 Cb 1.81 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 43.38 1qkh h LEU 16 CO 0.21 0.52 0.38 1.05 -1.08 0.00 0.00 178.44 179.51 1qkh h GLU 17 N 0.71 0.00 0.00 1.13 4.11 -1.38 0.12 114.58 119.27 1qkh h GLU 17 Ca 0.19 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.29 1qkh h GLU 17 Cb -0.01 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.18 1qkh h GLU 17 CO -0.04 0.00 -2.26 1.63 0.07 0.00 0.00 179.01 178.42 1qkh n LYS 18 N -3.68 0.97 0.06 1.06 5.02 -0.55 -4.33 118.16 116.71 1qkh n LYS 18 Ca 0.05 -0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.19 1qkh n LYS 18 Cb 0.53 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 34.02 1qkh n LYS 18 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1qkh h VAL 19 N 0.00 1.40 0.00 -0.18 3.04 0.95 -2.89 116.25 118.57 1qkh h VAL 19 Ca -0.48 -2.43 -0.03 0.00 -1.01 0.00 0.00 66.70 62.75 1qkh h VAL 19 Cb 2.10 2.40 -0.00 0.00 -2.01 0.00 0.00 31.29 33.78 1qkh h VAL 19 CO 0.03 0.73 -0.13 0.17 -1.01 0.00 0.00 177.57 177.35 1qkh h LEU 20 N 0.24 0.00 -0.52 3.16 8.10 -1.04 0.85 115.31 126.10 1qkh h LEU 20 Ca -0.08 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.75 1qkh h LEU 20 Cb 1.57 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.79 1qkh h LEU 20 CO 0.16 0.13 -0.61 -0.33 -4.11 0.00 0.00 178.44 173.69 1qkh h GLU 21 N 0.00 0.46 0.00 0.17 5.08 -1.72 -0.50 114.58 118.06 1qkh h GLU 21 Ca -0.00 -0.31 -0.10 0.00 -1.00 0.00 0.00 59.36 57.94 1qkh h GLU 21 Cb 0.25 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1qkh h GLU 21 CO 0.02 0.93 -0.49 -0.07 -1.00 0.00 0.00 179.01 178.39 1qkh h LEU 22 N 0.34 0.00 0.00 1.33 3.38 -0.78 -1.28 115.31 118.30 1qkh h LEU 22 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1qkh h LEU 22 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1qkh h LEU 22 CO 0.11 0.49 -0.44 0.78 0.09 0.00 0.00 178.44 179.47 1qkh h ASN 23 N 0.00 0.00 0.22 -0.43 2.35 -0.71 0.36 115.58 117.38 1qkh h ASN 23 Ca -0.00 -0.05 -0.35 0.00 -0.55 0.00 0.00 56.30 55.34 1qkh h ASN 23 Cb 1.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 1qkh h ASN 23 CO 0.06 0.03 -1.81 0.00 -1.65 0.00 0.00 177.43 174.06 1qkh h ALA 24 N 2.22 0.31 0.00 -0.83 0.00 -0.80 -3.36 119.26 116.79 1qkh h ALA 24 Ca 0.00 -1.25 -0.19 0.00 0.00 0.00 0.00 54.91 53.47 1qkh h ALA 24 Cb 0.89 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1qkh h ALA 24 CO 0.00 1.18 -1.47 1.63 0.00 0.00 0.00 179.25 180.59 1qkh n LYS 25 N -3.50 0.62 -0.30 0.00 5.02 -0.51 -4.96 118.16 114.54 1qkh n LYS 25 Ca -0.26 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1qkh n LYS 25 Cb 1.06 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 1qkh n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qkh n GLY 26 N 1.42 0.83 3.68 0.72 0.00 0.00 -5.05 105.19 106.80 1qkh n GLY 26 Ca -0.11 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1qkh n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qkh s GLU 27 N -0.65 4.39 -1.11 1.61 2.02 -0.51 -4.97 118.70 119.48 1qkh s GLU 27 Ca 0.00 1.31 -0.07 0.00 0.02 0.00 0.00 54.97 56.23 1qkh s GLU 27 Cb 0.00 -3.55 0.28 0.00 0.10 0.00 0.00 34.13 30.96 1qkh s GLU 27 CO 0.00 -0.33 1.38 1.63 0.02 0.00 0.00 175.26 177.96 1qkh n LYS 28 N 5.09 4.04 0.00 1.61 5.02 -1.26 -4.62 118.16 128.04 1qkh n LYS 28 Ca 0.08 -4.43 0.00 0.00 -2.02 0.00 0.00 58.31 51.94 1qkh n LYS 28 Cb 0.49 -2.57 0.00 0.00 -0.02 0.00 0.00 35.03 32.92 1qkh n LYS 28 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1qkh n ARG 29 N 2.16 3.91 -4.37 1.97 0.63 -1.26 -4.87 116.66 114.82 1qkh n ARG 29 Ca 0.27 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.92 1qkh n ARG 29 Cb 0.36 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.16 1qkh n ARG 29 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1qkh s LEU 30 N 0.00 2.60 -0.14 6.15 2.34 -1.26 -2.03 118.68 126.34 1qkh s LEU 30 Ca 0.00 -0.75 -0.00 0.00 0.06 0.00 0.00 54.13 53.44 1qkh s LEU 30 Cb 0.00 -1.34 0.03 0.00 -0.56 0.00 0.00 46.19 44.31 1qkh s LEU 30 CO 0.00 0.12 -0.10 -0.63 -1.06 0.00 0.00 176.35 174.68 1qkh s ILE 31 N -1.60 1.28 0.51 1.48 1.09 -1.01 -4.93 121.20 118.02 1qkh s ILE 31 Ca 0.21 -0.50 -0.09 0.00 -1.10 0.00 0.00 60.65 59.17 1qkh s ILE 31 Cb -0.08 -1.28 -0.04 0.00 -1.06 0.00 0.00 42.46 39.99 1qkh s ILE 31 CO 0.11 0.36 0.87 -0.54 -0.10 0.00 0.00 174.94 175.64 1qkh s LYS 32 N 1.60 3.62 0.04 2.79 3.01 -1.26 0.25 119.74 129.79 1qkh s LYS 32 Ca 0.04 0.46 -0.02 0.00 -1.01 0.00 0.00 55.97 55.43 1qkh s LYS 32 Cb -0.13 -2.27 -0.02 0.00 -1.01 0.00 0.00 37.83 34.39 1qkh s LYS 32 CO -0.09 -0.29 0.02 0.99 0.51 0.00 0.00 175.35 176.48 1qkh s THR 33 N -2.81 0.16 -0.19 2.17 2.01 -0.67 -4.51 115.64 111.80 1qkh s THR 33 Ca 0.51 -1.34 0.20 0.00 0.31 0.00 0.00 61.69 61.37 1qkh s THR 33 Cb -0.10 -1.01 0.42 0.00 0.01 0.00 0.00 72.50 71.81 1qkh s THR 33 CO 0.45 -0.74 1.20 0.79 -0.69 0.00 0.00 174.62 175.62 1qkh n TRP 34 N 0.67 0.19 0.00 4.92 8.01 -1.26 -3.90 117.44 126.08 1qkh n TRP 34 Ca -0.18 -1.49 0.00 0.00 -1.31 0.00 0.00 57.50 54.52 1qkh n TRP 34 Cb 0.59 0.20 0.00 0.00 -2.01 0.00 0.00 31.31 30.09 1qkh n TRP 34 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 1qkh n SER 35 N -0.45 0.00 0.08 -0.99 7.64 -1.26 -5.04 113.62 113.60 1qkh n SER 35 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1qkh n SER 35 Cb 0.89 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 1qkh n SER 35 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1qkh n ARG 36 N 0.00 0.00 -1.27 1.43 3.00 -1.26 -4.76 116.66 113.80 1qkh n ARG 36 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.54 1qkh n ARG 36 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 32.46 32.56 1qkh n ARG 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1qkh n ARG 37 N -2.81 2.52 -1.48 -0.14 3.00 -1.26 -3.17 116.66 113.33 1qkh n ARG 37 Ca 0.00 -3.10 -0.54 0.00 -0.01 0.00 0.00 57.85 54.19 1qkh n ARG 37 Cb 0.00 -2.22 -0.06 0.00 0.00 0.00 0.00 32.46 30.18 1qkh n ARG 37 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1qkh n SER 38 N -0.90 -0.27 -4.28 0.55 7.64 -1.24 -2.36 113.62 112.77 1qkh n SER 38 Ca 0.60 1.15 -0.18 0.00 1.01 0.00 0.00 58.87 61.45 1qkh n SER 38 Cb 0.90 -0.96 -0.11 0.00 -1.01 0.00 0.00 64.21 63.03 1qkh n SER 38 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1qkh s THR 39 N -0.34 1.46 0.67 0.44 2.01 0.36 -4.68 115.64 115.56 1qkh s THR 39 Ca 0.80 -1.91 -0.11 0.00 0.31 0.00 0.00 61.69 60.78 1qkh s THR 39 Cb -1.11 -1.74 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 1qkh s THR 39 CO 0.56 -0.50 1.05 -0.63 -0.69 0.00 0.00 174.62 174.41 1qkh s ILE 40 N -2.51 4.23 0.37 1.82 1.09 -1.26 -4.29 121.20 120.65 1qkh s ILE 40 Ca 0.14 0.73 0.04 0.00 -1.10 0.00 0.00 60.65 60.46 1qkh s ILE 40 Cb -0.03 -3.57 -0.03 0.00 -1.06 0.00 0.00 42.46 37.77 1qkh s ILE 40 CO 0.04 -0.95 0.14 0.68 -0.10 0.00 0.00 174.94 174.75 1qkh s VAL 41 N -3.11 0.54 0.40 2.92 -7.23 -1.26 -4.18 120.40 108.48 1qkh s VAL 41 Ca 0.57 -2.00 0.15 0.00 -1.81 0.00 0.00 61.98 58.89 1qkh s VAL 41 Cb -0.13 -2.44 0.15 0.00 0.56 0.00 0.00 36.38 34.52 1qkh s VAL 41 CO 0.55 0.00 1.91 1.55 -0.31 0.00 0.00 175.10 178.80 1qkh h PRO 42 N 1.95 0.00 0.00 4.82 0.13 -1.99 -1.66 132.00 135.25 1qkh h PRO 42 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1qkh h PRO 42 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1qkh h PRO 42 CO 0.55 0.27 0.00 0.39 -0.23 0.00 0.00 178.00 178.98 1qkh n GLU 43 N -4.14 0.89 0.01 0.86 1.02 -1.26 -3.22 120.64 114.80 1qkh n GLU 43 Ca -0.02 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.23 1qkh n GLU 43 Cb 0.33 -1.46 0.08 0.00 -0.02 0.00 0.00 31.44 30.37 1qkh n GLU 43 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1qkh n MET 44 N -0.96 0.10 0.00 3.49 2.81 -0.62 -4.40 117.12 117.54 1qkh n MET 44 Ca 0.20 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 1qkh n MET 44 Cb 0.09 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 1qkh n MET 44 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 1qkh n VAL 45 N -1.66 0.00 -2.24 2.03 3.14 -1.20 -2.08 118.33 116.32 1qkh n VAL 45 Ca 0.04 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.40 1qkh n VAL 45 Cb 0.37 -0.79 -0.03 0.00 -1.06 0.00 0.00 33.84 32.33 1qkh n VAL 45 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1qkh n GLY 46 N -0.71 0.74 3.21 7.55 0.00 -1.26 -3.21 105.19 111.51 1qkh n GLY 46 Ca 0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 1qkh n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qkh s HIS 47 N 0.00 0.11 -0.99 1.61 4.02 -0.89 -4.53 115.29 114.63 1qkh s HIS 47 Ca 0.16 -0.51 -0.12 0.00 1.02 0.00 0.00 55.06 55.62 1qkh s HIS 47 Cb 0.18 -0.04 0.25 0.00 -1.02 0.00 0.00 32.58 31.96 1qkh s HIS 47 CO -0.08 -0.54 0.97 0.99 1.02 0.00 0.00 174.74 177.10 1qkh s THR 48 N -3.66 5.79 -0.22 1.30 2.01 -0.86 -1.89 115.64 118.11 1qkh s THR 48 Ca 0.03 -2.96 -0.25 0.00 0.31 0.00 0.00 61.69 58.82 1qkh s THR 48 Cb 0.04 -4.56 -0.01 0.00 0.01 0.00 0.00 72.50 67.98 1qkh s THR 48 CO -0.10 -1.13 0.82 -0.63 -0.69 0.00 0.00 174.62 172.89 1qkh s ILE 49 N -0.51 4.86 -1.17 1.82 1.01 -0.85 -2.41 121.20 123.95 1qkh s ILE 49 Ca 0.26 1.57 -0.21 0.00 0.00 0.00 0.00 60.65 62.27 1qkh s ILE 49 Cb -0.10 -4.11 0.04 0.00 0.01 0.00 0.00 42.46 38.30 1qkh s ILE 49 CO -0.08 -0.04 1.66 0.00 0.00 0.00 0.00 174.94 176.48 1qkh s ALA 50 N 2.62 2.89 0.16 9.38 0.00 0.14 -1.86 121.76 135.09 1qkh s ALA 50 Ca 0.35 -2.54 -0.31 0.00 0.00 0.00 0.00 51.96 49.46 1qkh s ALA 50 Cb -0.16 -4.60 -0.10 0.00 0.00 0.00 0.00 23.12 18.26 1qkh s ALA 50 CO 0.09 -3.65 1.55 0.14 0.00 0.00 0.00 175.76 173.88 1qkh s VAL 51 N 5.37 2.69 -0.49 0.00 -7.23 -0.93 -1.67 120.40 118.14 1qkh s VAL 51 Ca 0.53 0.50 -0.28 0.00 -1.81 0.00 0.00 61.98 60.92 1qkh s VAL 51 Cb 0.02 -3.32 0.01 0.00 0.56 0.00 0.00 36.38 33.65 1qkh s VAL 51 CO 0.01 0.04 1.44 -0.47 -0.31 0.00 0.00 175.10 175.81 1qkh s TYR 52 N 1.12 2.30 -0.24 2.82 5.04 -1.25 -1.93 117.35 125.21 1qkh s TYR 52 Ca 0.69 0.58 0.01 0.00 -2.44 0.00 0.00 57.07 55.91 1qkh s TYR 52 Cb -0.43 -4.34 0.15 0.00 0.35 0.00 0.00 41.96 37.69 1qkh s TYR 52 CO 0.31 -2.01 1.11 0.27 -1.34 0.00 0.00 175.55 173.90 1qkh n ASN 53 N 9.39 2.94 0.00 4.32 6.94 -0.12 -3.83 115.26 134.90 1qkh n ASN 53 Ca 0.15 -2.32 0.00 0.00 -0.02 0.00 0.00 54.58 52.39 1qkh n ASN 53 Cb 0.49 -0.57 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 1qkh n ASN 53 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qkh n GLY 54 N 0.14 2.64 0.00 4.83 0.00 -1.19 -4.69 105.19 106.92 1qkh n GLY 54 Ca 0.12 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1qkh n GLY 54 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qkh n LYS 55 N 0.00 5.59 -4.24 1.61 2.85 -1.26 -4.94 118.16 117.77 1qkh n LYS 55 Ca 0.00 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.07 1qkh n LYS 55 Cb 0.00 -0.48 -0.11 0.00 -0.65 0.00 0.00 35.03 33.78 1qkh n LYS 55 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1qkh s GLN 56 N -0.04 1.01 -0.44 -1.58 -1.52 -1.26 -5.11 119.66 110.72 1qkh s GLN 56 Ca 0.00 -1.18 -0.16 0.00 -1.95 0.00 0.00 55.36 52.07 1qkh s GLN 56 Cb 0.00 -0.98 0.04 0.00 -0.22 0.00 0.00 33.01 31.85 1qkh s GLN 56 CO 0.00 0.20 0.39 -1.01 -0.25 0.00 0.00 175.29 174.62 1qkh s HIS 57 N -1.82 3.21 -0.66 0.91 3.76 -1.26 -0.95 115.29 118.49 1qkh s HIS 57 Ca 0.07 -0.64 -0.14 0.00 -0.15 0.00 0.00 55.06 54.20 1qkh s HIS 57 Cb -0.07 -2.92 0.17 0.00 1.11 0.00 0.00 32.58 30.87 1qkh s HIS 57 CO 0.03 -0.72 0.60 0.08 -0.85 0.00 0.00 174.74 173.88 1qkh s VAL 58 N 1.86 5.26 -0.78 -0.90 1.01 -0.81 -4.75 120.40 121.29 1qkh s VAL 58 Ca 0.07 -1.97 -0.25 0.00 0.00 0.00 0.00 61.98 59.83 1qkh s VAL 58 Cb -0.20 -4.33 -0.06 0.00 0.00 0.00 0.00 36.38 31.79 1qkh s VAL 58 CO 0.10 -0.93 2.05 -2.16 0.00 0.00 0.00 175.10 174.16 1qkh s PRO 59 N 0.94 2.36 -0.17 2.72 0.04 -1.25 -2.19 135.00 137.44 1qkh s PRO 59 Ca 0.10 0.19 -0.03 0.00 0.04 0.00 0.00 61.00 61.29 1qkh s PRO 59 Cb -0.21 -4.82 -0.02 0.00 0.04 0.00 0.00 34.50 29.49 1qkh s PRO 59 CO -0.02 -3.42 -0.05 0.08 0.04 0.00 0.00 177.00 173.63 1qkh s VAL 60 N 10.87 3.66 -0.51 -0.36 1.01 -0.78 -4.70 120.40 129.59 1qkh s VAL 60 Ca 0.76 -0.43 -0.28 0.00 0.00 0.00 0.00 61.98 62.03 1qkh s VAL 60 Cb -0.10 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1qkh s VAL 60 CO 0.08 0.47 1.66 -0.47 0.00 0.00 0.00 175.10 176.84 1qkh s TYR 61 N 0.73 1.96 0.01 5.22 6.14 -1.25 -2.00 117.35 128.16 1qkh s TYR 61 Ca -0.02 0.63 -0.25 0.00 0.64 0.00 0.00 57.07 58.06 1qkh s TYR 61 Cb -0.15 -4.22 -0.19 0.00 0.42 0.00 0.00 41.96 37.83 1qkh s TYR 61 CO 0.02 -2.33 1.38 0.82 0.64 0.00 0.00 175.55 176.07 1qkh h ILE 62 N 6.66 1.27 -2.38 3.14 5.03 -1.48 -3.48 117.51 126.27 1qkh h ILE 62 Ca -0.28 -0.86 0.29 0.00 -0.12 0.00 0.00 64.86 63.89 1qkh h ILE 62 Cb 1.14 1.85 -0.08 0.00 -3.03 0.00 0.00 36.82 36.70 1qkh h ILE 62 CO 1.15 0.22 -0.42 0.41 -0.68 0.00 0.00 178.15 178.83 1qkh n THR 63 N -4.92 0.00 -1.78 -0.27 -1.04 -1.20 -2.89 114.28 102.18 1qkh n THR 63 Ca -0.08 0.05 -0.40 0.00 -2.04 0.00 0.00 64.05 61.58 1qkh n THR 63 Cb 0.20 -0.41 -0.01 0.00 -1.82 0.00 0.00 70.33 68.29 1qkh n THR 63 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1qkh n GLU 64 N -3.45 4.11 0.00 -2.82 0.00 -1.23 -3.94 120.64 113.31 1qkh n GLU 64 Ca 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 57.16 54.16 1qkh n GLU 64 Cb 0.49 -2.75 0.00 0.00 0.00 0.00 0.00 31.44 29.17 1qkh n GLU 64 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1qkh n ASN 65 N 2.80 0.00 -1.33 4.31 5.15 -1.25 -4.95 115.26 119.99 1qkh n ASN 65 Ca 0.65 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.75 1qkh n ASN 65 Cb 0.26 0.00 0.31 0.00 -0.53 0.00 0.00 39.78 39.82 1qkh n ASN 65 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1qkh n MET 66 N -0.86 2.68 -2.83 1.20 2.81 -1.14 -4.98 117.12 114.00 1qkh n MET 66 Ca 0.00 -2.60 -0.25 0.00 -1.81 0.00 0.00 57.70 53.03 1qkh n MET 66 Cb 0.00 -1.56 0.01 0.00 -0.71 0.00 0.00 33.22 30.95 1qkh n MET 66 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1qkh s VAL 67 N -1.08 4.48 0.00 2.03 0.11 -1.26 -4.44 120.40 120.24 1qkh s VAL 67 Ca 0.48 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 1qkh s VAL 67 Cb 0.25 -3.69 0.00 0.00 -1.53 0.00 0.00 36.38 31.41 1qkh s VAL 67 CO 0.33 -0.59 0.00 0.61 -3.33 0.00 0.00 175.10 172.12 1qkh n GLY 68 N -2.18 2.05 0.00 6.54 0.00 -1.26 -4.97 105.19 105.38 1qkh n GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qkh n GLY 68 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qkh n HIS 69 N -1.44 0.00 0.00 1.61 8.25 -1.26 -4.93 115.22 117.45 1qkh n HIS 69 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1qkh n HIS 69 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1qkh n HIS 69 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1qkh n LYS 70 N -0.13 0.00 0.00 -0.41 -0.00 -1.26 -4.24 118.16 112.12 1qkh n LYS 70 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1qkh n LYS 70 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1qkh n LYS 70 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1qkh n LEU 71 N 0.00 0.00 0.14 -5.58 -0.00 -1.26 -4.52 117.00 105.78 1qkh n LEU 71 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.14 1qkh n LEU 71 Cb 0.00 0.00 0.48 0.00 -0.00 0.00 0.00 43.42 43.90 1qkh n LEU 71 CO 0.00 0.00 0.87 1.23 -0.00 0.00 0.00 177.39 179.49 1qkh h GLY 72 N 0.00 0.00 1.88 1.47 0.00 -1.92 -1.47 103.07 103.03 1qkh h GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qkh h GLY 72 CO 0.00 0.00 -0.09 0.83 0.00 0.00 0.00 176.54 177.28 1qkh h GLU 73 N 0.00 0.00 0.00 4.80 4.39 -1.93 -1.41 114.58 120.43 1qkh h GLU 73 Ca 0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1qkh h GLU 73 Cb 0.48 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 1qkh h GLU 73 CO 0.00 0.00 -2.00 1.19 -1.16 0.00 0.00 179.01 177.04 1qkh n PHE 74 N -2.36 0.00 -2.91 4.33 3.01 -0.84 -4.57 117.46 114.12 1qkh n PHE 74 Ca 0.05 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.31 1qkh n PHE 74 Cb 0.45 -0.58 -0.02 0.00 -0.01 0.00 0.00 39.48 39.32 1qkh n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1qkh n ALA 75 N -2.33 3.45 -1.32 4.37 0.00 -0.61 -4.95 120.51 119.12 1qkh n ALA 75 Ca -0.11 -3.82 -0.27 0.00 0.00 0.00 0.00 53.44 49.24 1qkh n ALA 75 Cb 0.68 -0.82 -0.08 0.00 0.00 0.00 0.00 19.45 19.23 1qkh n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qkh n PRO 76 N -0.04 2.96 -4.35 0.00 -0.04 -0.54 -4.73 135.00 128.26 1qkh n PRO 76 Ca 0.25 -1.94 -0.34 0.00 -0.04 0.00 0.00 63.50 61.42 1qkh n PRO 76 Cb 0.62 -2.36 -0.09 0.00 -0.04 0.00 0.00 33.50 31.64 1qkh n PRO 76 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1qkh n THR 77 N 2.44 -0.62 -3.59 0.52 5.66 -1.26 -4.91 114.28 112.53 1qkh n THR 77 Ca 0.58 -0.31 -0.37 0.00 -3.05 0.00 0.00 64.05 60.90 1qkh n THR 77 Cb 0.55 -0.80 -0.08 0.00 -1.55 0.00 0.00 70.33 68.45 1qkh n THR 77 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1qkh s ARG 78 N -7.21 4.16 -0.46 1.09 6.06 -1.26 -5.05 118.95 116.28 1qkh s ARG 78 Ca 0.30 -0.07 -0.24 0.00 -2.50 0.00 0.00 55.73 53.21 1qkh s ARG 78 Cb -0.17 -3.49 0.03 0.00 0.06 0.00 0.00 34.95 31.37 1qkh s ARG 78 CO 0.99 0.13 0.86 0.99 -2.50 0.00 0.00 175.30 175.76 1qkh s THR 79 N 0.84 4.56 0.00 4.11 2.01 -1.26 -5.12 115.64 120.78 1qkh s THR 79 Ca 0.12 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.69 1qkh s THR 79 Cb -0.13 -4.38 0.00 0.00 0.01 0.00 0.00 72.50 68.00 1qkh s THR 79 CO 0.04 -0.79 0.00 -1.22 -0.69 0.00 0.00 174.62 171.96