#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 2.66 0.03 1.61 -7.23 -1.26 -5.12 120.40 111.09 1qkh s VAL 9 Ca 0.00 -0.72 0.04 0.00 -1.81 0.00 0.00 61.98 59.49 1qkh s VAL 9 Cb 0.00 -2.94 -0.02 0.00 0.56 0.00 0.00 36.38 33.98 1qkh s VAL 9 CO 0.00 0.00 -0.12 0.12 -0.31 0.00 0.00 175.10 174.79 1qkh s PHE 10 N -2.73 1.02 -0.30 2.82 2.19 -1.25 -5.09 117.98 114.63 1qkh s PHE 10 Ca 0.58 -0.34 -0.07 0.00 0.33 0.00 0.00 56.93 57.44 1qkh s PHE 10 Cb -0.10 -0.61 0.02 0.00 -1.31 0.00 0.00 43.02 41.02 1qkh s PHE 10 CO 0.38 0.01 0.08 0.54 1.83 0.00 0.00 175.22 178.05 1qkh s VAL 11 N -0.82 3.89 -0.51 3.12 0.11 -1.26 -1.90 120.40 123.03 1qkh s VAL 11 Ca -0.00 -0.78 -0.42 0.00 -2.93 0.00 0.00 61.98 57.85 1qkh s VAL 11 Cb -0.07 -3.04 -0.18 0.00 -1.53 0.00 0.00 36.38 31.56 1qkh s VAL 11 CO 0.01 0.04 2.19 -0.67 -3.33 0.00 0.00 175.10 173.34 1qkh n ASP 12 N 4.85 0.96 0.24 3.54 2.03 -1.26 -4.75 116.55 122.15 1qkh n ASP 12 Ca -0.14 0.59 0.11 0.00 0.52 0.00 0.00 54.79 55.87 1qkh n ASP 12 Cb 0.47 -0.97 0.57 0.00 -0.72 0.00 0.00 41.12 40.47 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 9.85 0.00 0.54 1.67 1.82 -1.95 -2.10 116.42 126.25 1qkh h ASP 13 Ca -0.13 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.51 1qkh h ASP 13 Cb 1.39 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.40 1qkh h ASP 13 CO 1.10 0.19 -0.02 -0.74 -1.61 0.00 0.00 179.24 178.17 1qkh h HIS 14 N 0.00 0.00 0.16 0.28 2.76 -1.93 -1.06 115.15 115.36 1qkh h HIS 14 Ca -0.00 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 57.83 1qkh h HIS 14 Cb 0.58 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.54 1qkh h HIS 14 CO 0.00 0.02 -1.69 1.37 -1.30 0.00 0.00 177.93 176.32 1qkh h LEU 15 N 0.00 0.53 -0.53 0.26 8.10 -1.54 -3.34 115.31 118.79 1qkh h LEU 15 Ca -0.00 -0.79 -0.04 0.00 0.11 0.00 0.00 57.88 57.16 1qkh h LEU 15 Cb 0.29 -0.17 -0.02 0.00 -0.44 0.00 0.00 40.66 40.32 1qkh h LEU 15 CO 0.00 1.67 0.18 -0.07 -4.11 0.00 0.00 178.44 176.11 1qkh h LEU 16 N 0.09 0.76 -2.38 0.17 4.07 -1.36 -0.31 115.31 116.35 1qkh h LEU 16 Ca -0.32 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.45 1qkh h LEU 16 Cb 2.07 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 43.61 1qkh h LEU 16 CO 0.17 0.75 0.13 1.05 -1.08 0.00 0.00 178.44 179.46 1qkh h GLU 17 N 0.72 0.00 0.00 1.13 4.11 -1.34 -0.69 114.58 118.51 1qkh h GLU 17 Ca 0.17 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.31 1qkh h GLU 17 Cb 0.26 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 1qkh h GLU 17 CO -0.01 0.00 -2.18 1.63 0.07 0.00 0.00 179.01 178.52 1qkh n LYS 18 N -2.87 1.06 0.11 1.06 5.02 -0.76 -4.35 118.16 117.42 1qkh n LYS 18 Ca -0.02 -0.03 -0.18 0.00 -2.02 0.00 0.00 58.31 56.06 1qkh n LYS 18 Cb 0.18 -1.45 -0.13 0.00 -0.02 0.00 0.00 35.03 33.61 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 1.44 0.00 -0.18 3.04 -0.17 -3.05 116.25 117.33 1qkh h VAL 19 Ca -0.43 -2.92 -0.02 0.00 -1.01 0.00 0.00 66.70 62.32 1qkh h VAL 19 Cb 1.97 2.91 -0.00 0.00 -2.01 0.00 0.00 31.29 34.16 1qkh h VAL 19 CO 0.02 0.86 -0.08 0.17 -1.01 0.00 0.00 177.57 177.53 1qkh h LEU 20 N 0.11 0.00 -0.36 3.16 8.10 -1.40 0.15 115.31 125.07 1qkh h LEU 20 Ca -0.16 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.64 1qkh h LEU 20 Cb 1.98 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 42.19 1qkh h LEU 20 CO 0.22 0.08 -0.79 -0.33 -4.11 0.00 0.00 178.44 173.51 1qkh h GLU 21 N 0.00 0.33 0.00 0.17 3.07 -1.74 -1.66 114.58 114.75 1qkh h GLU 21 Ca -0.00 -0.30 -0.13 0.00 -0.50 0.00 0.00 59.36 58.43 1qkh h GLU 21 Cb 0.20 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 1qkh h GLU 21 CO 0.01 0.97 -0.60 -0.07 -1.40 0.00 0.00 179.01 177.91 1qkh h LEU 22 N 0.21 0.00 0.00 1.33 3.38 -0.80 -2.62 115.31 116.82 1qkh h LEU 22 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1qkh h LEU 22 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1qkh h LEU 22 CO 0.13 0.60 -0.29 0.59 0.09 0.00 0.00 178.44 179.57 1qkh n ASN 23 N -3.45 0.65 0.02 -0.43 3.02 0.31 -0.61 115.26 114.76 1qkh n ASN 23 Ca 0.00 0.32 -0.19 0.00 -0.03 0.00 0.00 54.58 54.68 1qkh n ASN 23 Cb 0.69 -0.30 -0.14 0.00 -0.61 0.00 0.00 39.78 39.43 1qkh n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qkh h ALA 24 N 2.62 0.41 0.00 5.41 0.00 -1.13 -3.38 119.26 123.19 1qkh h ALA 24 Ca 0.00 -1.32 -0.14 0.00 0.00 0.00 0.00 54.91 53.45 1qkh h ALA 24 Cb 0.69 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1qkh h ALA 24 CO 0.00 1.28 -1.89 1.63 0.00 0.00 0.00 179.25 180.26 1qkh n LYS 25 N -3.44 0.65 -0.60 0.00 4.76 -1.00 -4.98 118.16 113.56 1qkh n LYS 25 Ca -0.26 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.15 1qkh n LYS 25 Cb 1.05 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 32.63 1qkh n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qkh n GLY 26 N 1.42 1.13 3.69 0.72 0.00 0.22 -5.04 105.19 107.33 1qkh n GLY 26 Ca -0.13 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.57 4.31 -0.78 1.61 2.02 -0.47 -4.96 118.70 118.86 1qkh s GLU 27 Ca 0.00 1.87 -0.20 0.00 0.02 0.00 0.00 54.97 56.67 1qkh s GLU 27 Cb 0.00 -3.55 0.11 0.00 0.10 0.00 0.00 34.13 30.79 1qkh s GLU 27 CO 0.00 -0.52 1.00 0.15 0.02 0.00 0.00 175.26 175.91 1qkh s LYS 28 N 2.24 3.35 0.00 1.61 -0.14 -1.26 -4.77 119.74 120.76 1qkh s LYS 28 Ca 0.61 -1.41 0.00 0.00 -1.36 0.00 0.00 55.97 53.82 1qkh s LYS 28 Cb -0.30 -4.57 0.00 0.00 -1.68 0.00 0.00 37.83 31.28 1qkh s LYS 28 CO 0.25 -1.74 0.00 -2.13 -0.76 0.00 0.00 175.35 170.98 1qkh n ARG 29 N 6.82 0.00 -4.53 1.68 0.63 -1.26 -5.15 116.66 114.85 1qkh n ARG 29 Ca 0.09 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.76 1qkh n ARG 29 Cb 0.47 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.27 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 2.75 0.26 6.15 2.34 -1.26 -3.74 118.68 125.19 1qkh s LEU 30 Ca 0.00 -1.19 0.09 0.00 0.06 0.00 0.00 54.13 53.10 1qkh s LEU 30 Cb 0.00 -1.02 -0.04 0.00 -0.56 0.00 0.00 46.19 44.56 1qkh s LEU 30 CO 0.00 -0.21 0.01 -0.63 -1.06 0.00 0.00 176.35 174.46 1qkh s ILE 31 N -2.60 3.51 0.14 1.48 -1.09 -0.97 -4.80 121.20 116.87 1qkh s ILE 31 Ca 0.33 -1.88 0.08 0.00 -2.23 0.00 0.00 60.65 56.95 1qkh s ILE 31 Cb 0.02 -2.88 -0.04 0.00 -1.58 0.00 0.00 42.46 37.99 1qkh s ILE 31 CO 0.17 -0.37 -0.19 -0.54 -1.23 0.00 0.00 174.94 172.78 1qkh s LYS 32 N -3.67 1.20 0.03 2.79 3.01 -1.26 0.21 119.74 122.04 1qkh s LYS 32 Ca 0.31 -1.31 -0.00 0.00 -1.01 0.00 0.00 55.97 53.96 1qkh s LYS 32 Cb -0.07 -1.31 -0.03 0.00 -1.01 0.00 0.00 37.83 35.42 1qkh s LYS 32 CO 0.20 0.28 -0.03 0.99 0.51 0.00 0.00 175.35 177.30 1qkh s THR 33 N -1.76 0.17 -0.12 2.17 2.01 -0.98 -4.19 115.64 112.94 1qkh s THR 33 Ca 0.12 -1.29 0.18 0.00 0.31 0.00 0.00 61.69 61.01 1qkh s THR 33 Cb -0.07 -0.80 0.37 0.00 0.01 0.00 0.00 72.50 72.01 1qkh s THR 33 CO 0.05 -0.70 1.17 0.79 -0.69 0.00 0.00 174.62 175.24 1qkh n TRP 34 N 0.97 0.07 0.00 4.92 8.01 -1.26 -3.79 117.44 126.36 1qkh n TRP 34 Ca -0.20 -1.13 0.00 0.00 -1.31 0.00 0.00 57.50 54.86 1qkh n TRP 34 Cb 0.57 0.18 0.00 0.00 -2.01 0.00 0.00 31.31 30.06 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 -0.19 0.00 0.04 -0.99 7.64 -1.26 -5.02 113.62 113.85 1qkh n SER 35 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1qkh n SER 35 Cb 0.93 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.13 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 -1.71 1.43 0.63 -1.25 -4.74 116.66 111.02 1qkh n ARG 36 Ca 0.00 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.59 1qkh n ARG 36 Cb 0.00 0.00 0.05 0.00 0.45 0.00 0.00 32.46 32.96 1qkh n ARG 36 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1qkh n ARG 37 N -2.44 2.90 -1.36 -0.14 1.85 -1.26 -1.85 116.66 114.36 1qkh n ARG 37 Ca 0.00 -3.59 -0.36 0.00 -1.00 0.00 0.00 57.85 52.91 1qkh n ARG 37 Cb 0.00 -2.28 0.09 0.00 -1.05 0.00 0.00 32.46 29.22 1qkh n ARG 37 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1qkh n SER 38 N -0.73 0.43 -4.10 2.89 7.64 -1.24 -3.92 113.62 114.59 1qkh n SER 38 Ca 0.56 0.67 -0.08 0.00 1.01 0.00 0.00 58.87 61.02 1qkh n SER 38 Cb 0.57 -1.40 -0.10 0.00 -1.01 0.00 0.00 64.21 62.27 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 -1.81 0.17 0.78 0.44 2.01 -0.80 -4.61 115.64 111.82 1qkh s THR 39 Ca 0.73 -1.82 -0.10 0.00 0.31 0.00 0.00 61.69 60.81 1qkh s THR 39 Cb -0.35 -1.73 0.08 0.00 0.01 0.00 0.00 72.50 70.51 1qkh s THR 39 CO 0.50 -0.76 1.13 -0.63 -0.69 0.00 0.00 174.62 174.17 1qkh s ILE 40 N -3.97 2.09 0.35 1.82 1.09 -1.26 -4.01 121.20 117.31 1qkh s ILE 40 Ca 0.14 -0.09 0.04 0.00 -1.10 0.00 0.00 60.65 59.63 1qkh s ILE 40 Cb 0.08 -3.00 -0.04 0.00 -1.06 0.00 0.00 42.46 38.44 1qkh s ILE 40 CO -0.05 0.00 0.13 0.68 -0.10 0.00 0.00 174.94 175.60 1qkh s VAL 41 N -3.48 0.58 0.27 2.92 -7.23 -1.26 -4.48 120.40 107.73 1qkh s VAL 41 Ca 0.62 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.84 1qkh s VAL 41 Cb -0.11 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.35 1qkh s VAL 41 CO 0.48 0.00 1.64 1.55 -0.31 0.00 0.00 175.10 178.46 1qkh h PRO 42 N 2.02 0.25 0.00 4.82 0.13 -1.98 -2.72 132.00 134.52 1qkh h PRO 42 Ca -0.35 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1qkh h PRO 42 Cb 1.26 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1qkh h PRO 42 CO 0.57 0.69 0.00 -0.85 -0.23 0.00 0.00 178.00 178.17 1qkh n GLU 43 N -3.96 0.41 -0.38 0.86 0.28 -1.26 -3.10 120.64 113.48 1qkh n GLU 43 Ca -0.02 0.07 0.05 0.00 -0.16 0.00 0.00 57.16 57.10 1qkh n GLU 43 Cb 0.54 -1.50 0.21 0.00 1.43 0.00 0.00 31.44 32.11 1qkh n GLU 43 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1qkh n MET 44 N -1.17 2.66 0.00 3.44 2.81 -1.03 -4.48 117.12 119.35 1qkh n MET 44 Ca 0.11 -1.65 0.02 0.00 -1.81 0.00 0.00 57.70 54.38 1qkh n MET 44 Cb 0.12 -1.67 0.12 0.00 -0.71 0.00 0.00 33.22 31.08 1qkh n MET 44 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1qkh n VAL 45 N 0.51 0.00 -2.24 2.03 0.31 -1.18 -2.48 118.33 115.28 1qkh n VAL 45 Ca 0.15 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.46 1qkh n VAL 45 Cb 0.59 -0.66 -0.03 0.00 -0.91 0.00 0.00 33.84 32.84 1qkh n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qkh n GLY 46 N -0.41 0.74 3.01 2.92 0.00 -1.03 -4.24 105.19 106.18 1qkh n GLY 46 Ca 0.03 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 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 0.37 -0.94 1.61 4.02 -1.04 -4.56 115.29 114.76 1qkh s HIS 47 Ca 0.16 -0.56 -0.12 0.00 1.02 0.00 0.00 55.06 55.56 1qkh s HIS 47 Cb 0.19 -0.25 0.24 0.00 -1.02 0.00 0.00 32.58 31.73 1qkh s HIS 47 CO -0.08 -0.18 0.91 0.99 1.02 0.00 0.00 174.74 177.40 1qkh s THR 48 N -1.61 5.74 -0.19 1.30 2.01 -1.25 -1.12 115.64 120.53 1qkh s THR 48 Ca -0.13 -2.81 -0.29 0.00 0.31 0.00 0.00 61.69 58.77 1qkh s THR 48 Cb -0.09 -4.53 -0.02 0.00 0.01 0.00 0.00 72.50 67.87 1qkh s THR 48 CO -0.01 -1.10 1.43 -0.63 -0.69 0.00 0.00 174.62 173.61 1qkh s ILE 49 N -0.30 3.99 -1.39 1.82 1.01 -0.59 -2.29 121.20 123.44 1qkh s ILE 49 Ca 0.23 1.16 -0.16 0.00 0.00 0.00 0.00 60.65 61.89 1qkh s ILE 49 Cb -0.10 -3.86 0.05 0.00 0.01 0.00 0.00 42.46 38.56 1qkh s ILE 49 CO -0.09 -0.23 2.03 0.00 0.00 0.00 0.00 174.94 176.66 1qkh n ALA 50 N 7.34 4.73 -1.68 9.38 0.00 0.13 -0.44 120.51 139.98 1qkh n ALA 50 Ca 0.16 -3.86 -0.46 0.00 0.00 0.00 0.00 53.44 49.28 1qkh n ALA 50 Cb 0.45 -3.57 -0.04 0.00 0.00 0.00 0.00 19.45 16.29 1qkh n ALA 50 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1qkh n VAL 51 N 5.63 0.24 -2.41 0.00 0.24 -0.48 -2.32 118.33 119.23 1qkh n VAL 51 Ca 0.51 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.34 62.36 1qkh n VAL 51 Cb 0.42 -1.76 -0.03 0.00 -1.47 0.00 0.00 33.84 31.00 1qkh n VAL 51 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1qkh s TYR 52 N 2.16 2.18 -2.00 6.34 5.04 -1.24 -1.17 117.35 128.66 1qkh s TYR 52 Ca 0.83 0.30 0.00 0.00 -2.44 0.00 0.00 57.07 55.76 1qkh s TYR 52 Cb -0.64 -4.45 0.00 0.00 0.35 0.00 0.00 41.96 37.23 1qkh s TYR 52 CO 0.41 -2.06 0.73 0.27 -1.34 0.00 0.00 175.55 173.56 1qkh n ASN 53 N 10.01 0.00 0.00 4.32 6.94 -0.14 -3.62 115.26 132.77 1qkh n ASN 53 Ca 0.10 -1.45 0.00 0.00 -0.02 0.00 0.00 54.58 53.20 1qkh n ASN 53 Cb 0.50 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 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 0.23 0.85 0.00 4.83 0.00 -0.77 -4.76 105.19 105.56 1qkh n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.39 -4.21 1.61 0.00 -1.26 -4.92 118.16 111.77 1qkh n LYS 55 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.14 1qkh n LYS 55 Cb 0.00 -0.48 -0.11 0.00 -0.00 0.00 0.00 35.03 34.44 1qkh n LYS 55 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1qkh s GLN 56 N -0.59 0.93 -0.57 -1.58 1.03 -1.26 -5.10 119.66 112.52 1qkh s GLN 56 Ca 0.00 -1.16 -0.16 0.00 0.04 0.00 0.00 55.36 54.08 1qkh s GLN 56 Cb 0.00 -0.78 0.14 0.00 0.03 0.00 0.00 33.01 32.40 1qkh s GLN 56 CO 0.00 0.15 0.53 -1.01 -2.54 0.00 0.00 175.29 172.42 1qkh s HIS 57 N -2.05 3.28 -0.57 9.60 3.76 -1.26 -0.97 115.29 127.08 1qkh s HIS 57 Ca 0.06 -1.33 -0.24 0.00 -0.15 0.00 0.00 55.06 53.40 1qkh s HIS 57 Cb -0.05 -3.81 0.05 0.00 1.11 0.00 0.00 32.58 29.87 1qkh s HIS 57 CO 0.02 -1.03 0.95 0.08 -0.85 0.00 0.00 174.74 173.91 1qkh s VAL 58 N 1.54 4.37 -0.85 -0.90 1.01 -0.32 -4.60 120.40 120.65 1qkh s VAL 58 Ca 0.05 0.17 -0.25 0.00 0.00 0.00 0.00 61.98 61.95 1qkh s VAL 58 Cb -0.28 -4.57 -0.07 0.00 0.00 0.00 0.00 36.38 31.46 1qkh s VAL 58 CO 0.02 -1.18 2.07 -2.16 0.00 0.00 0.00 175.10 173.85 1qkh s PRO 59 N 3.99 2.30 -0.40 2.72 0.04 -1.24 -1.38 135.00 141.02 1qkh s PRO 59 Ca 0.29 -0.01 -0.17 0.00 0.04 0.00 0.00 61.00 61.14 1qkh s PRO 59 Cb -0.13 -4.95 0.01 0.00 0.04 0.00 0.00 34.50 29.47 1qkh s PRO 59 CO 0.18 -3.63 0.46 0.14 0.04 0.00 0.00 177.00 174.19 1qkh s VAL 60 N 11.32 5.06 -0.53 -0.36 -7.23 0.41 -4.70 120.40 124.36 1qkh s VAL 60 Ca 0.76 -0.16 -0.28 0.00 -1.81 0.00 0.00 61.98 60.50 1qkh s VAL 60 Cb -0.09 -4.02 -0.00 0.00 0.56 0.00 0.00 36.38 32.83 1qkh s VAL 60 CO 0.03 -0.37 1.63 -0.47 -0.31 0.00 0.00 175.10 175.61 1qkh s TYR 61 N 2.23 1.99 -0.09 2.82 6.14 -1.26 -1.55 117.35 127.64 1qkh s TYR 61 Ca 0.14 0.60 -0.24 0.00 0.64 0.00 0.00 57.07 58.21 1qkh s TYR 61 Cb -0.16 -4.24 -0.03 0.00 0.42 0.00 0.00 41.96 37.94 1qkh s TYR 61 CO 0.14 -2.28 0.75 0.42 0.64 0.00 0.00 175.55 175.22 1qkh s ILE 62 N 7.17 4.99 0.00 3.14 1.09 -0.27 -4.92 121.20 132.40 1qkh s ILE 62 Ca 0.62 1.53 0.00 0.00 -1.10 0.00 0.00 60.65 61.71 1qkh s ILE 62 Cb -0.14 -4.08 0.00 0.00 -1.06 0.00 0.00 42.46 37.18 1qkh s ILE 62 CO 0.25 0.18 0.00 0.35 -0.10 0.00 0.00 174.94 175.62 1qkh n THR 63 N 4.09 0.00 1.16 2.92 -2.24 -1.26 -2.45 114.28 116.50 1qkh n THR 63 Ca 0.01 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.86 1qkh n THR 63 Cb 0.51 -0.45 0.23 0.00 -2.10 0.00 0.00 70.33 68.52 1qkh n THR 63 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1qkh n GLU 64 N 0.00 1.66 -0.59 -0.78 -0.00 -1.26 -4.07 120.64 115.59 1qkh n GLU 64 Ca 0.00 -1.01 -0.00 0.00 -0.00 0.00 0.00 57.16 56.15 1qkh n GLU 64 Cb 0.00 -1.28 -0.00 0.00 -0.00 0.00 0.00 31.44 30.16 1qkh n GLU 64 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1qkh n ASN 65 N 0.29 0.03 -0.04 -1.84 6.94 -1.26 -4.88 115.26 114.49 1qkh n ASN 65 Ca 0.12 -1.66 -0.02 0.00 -0.02 0.00 0.00 54.58 53.00 1qkh n ASN 65 Cb 0.26 -0.12 -0.10 0.00 -2.36 0.00 0.00 39.78 37.46 1qkh n ASN 65 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1qkh n MET 66 N 0.03 1.41 -0.93 -3.83 2.81 -1.26 -5.02 117.12 110.34 1qkh n MET 66 Ca -0.01 -0.05 -0.30 0.00 -1.81 0.00 0.00 57.70 55.54 1qkh n MET 66 Cb 0.66 -1.32 0.16 0.00 -0.71 0.00 0.00 33.22 32.01 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 -2.53 2.46 0.00 2.03 0.11 -1.26 -4.51 120.40 116.70 1qkh s VAL 67 Ca -0.06 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1qkh s VAL 67 Cb 0.05 -2.41 0.00 0.00 -1.53 0.00 0.00 36.38 32.49 1qkh s VAL 67 CO 0.53 -0.19 0.00 0.61 -3.33 0.00 0.00 175.10 172.72 1qkh n GLY 68 N -0.37 1.39 0.00 6.54 0.00 -1.26 -5.02 105.19 106.46 1qkh n GLY 68 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.00 0.00 1.61 8.25 -1.26 -4.99 115.22 118.83 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 -0.37 0.00 0.00 -0.41 -0.00 -1.26 -4.37 118.16 111.75 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 0.22 -5.58 -0.00 -1.26 -4.51 117.00 105.87 1qkh n LEU 71 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 56.01 56.16 1qkh n LEU 71 Cb 0.00 0.00 0.53 0.00 -0.00 0.00 0.00 43.42 43.95 1qkh n LEU 71 CO 0.00 0.00 0.93 1.23 -0.00 0.00 0.00 177.39 179.55 1qkh h GLY 72 N 0.00 0.00 1.57 1.47 0.00 -1.93 0.11 103.07 104.29 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 -0.40 0.83 0.00 0.00 0.00 176.54 176.97 1qkh h GLU 73 N 0.00 0.00 0.00 4.80 4.39 -1.94 -2.52 114.58 119.31 1qkh h GLU 73 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1qkh h GLU 73 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1qkh h GLU 73 CO 0.00 0.00 -1.39 1.19 -1.16 0.00 0.00 179.01 177.65 1qkh n PHE 74 N -2.73 0.00 -2.85 4.33 3.01 -1.00 -4.61 117.46 113.62 1qkh n PHE 74 Ca 0.03 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.34 1qkh n PHE 74 Cb 0.51 -0.24 0.00 0.00 -0.01 0.00 0.00 39.48 39.74 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 -1.82 3.19 -1.26 4.37 0.00 0.35 -4.95 120.51 120.39 1qkh n ALA 75 Ca -0.01 -3.46 -0.21 0.00 0.00 0.00 0.00 53.44 49.75 1qkh n ALA 75 Cb 0.36 -0.88 -0.11 0.00 0.00 0.00 0.00 19.45 18.82 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 0.00 2.43 -0.10 0.00 -0.04 -0.95 -4.57 135.00 131.76 1qkh n PRO 76 Ca 0.19 -1.73 -0.11 0.00 -0.04 0.00 0.00 63.50 61.81 1qkh n PRO 76 Cb 0.72 -2.15 -0.03 0.00 -0.04 0.00 0.00 33.50 31.99 1qkh n PRO 76 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1qkh h THR 77 N 2.11 1.26 -3.79 0.52 2.02 -1.92 -3.44 112.91 109.66 1qkh h THR 77 Ca 0.35 -0.97 -0.29 0.00 0.77 0.00 0.00 66.41 66.26 1qkh h THR 77 Cb 1.06 1.29 -0.29 0.00 -1.74 0.00 0.00 68.15 68.47 1qkh h THR 77 CO 0.66 0.31 -0.74 -0.13 0.37 0.00 0.00 175.52 175.99 1qkh s ARG 78 N -4.96 0.25 -0.60 6.66 1.81 -1.26 -5.10 118.95 115.75 1qkh s ARG 78 Ca -0.13 -0.09 -0.26 0.00 -1.72 0.00 0.00 55.73 53.53 1qkh s ARG 78 Cb 0.08 -0.27 0.04 0.00 -0.45 0.00 0.00 34.95 34.35 1qkh s ARG 78 CO 0.77 0.04 1.10 0.99 -0.68 0.00 0.00 175.30 177.52 1qkh s THR 79 N 0.06 4.12 0.00 0.02 2.01 -1.26 -5.18 115.64 115.41 1qkh s THR 79 Ca -0.00 0.52 0.00 0.00 0.31 0.00 0.00 61.69 62.52 1qkh s THR 79 Cb -0.03 -4.69 0.00 0.00 0.01 0.00 0.00 72.50 67.79 1qkh s THR 79 CO -0.00 -1.35 0.00 0.00 -0.69 0.00 0.00 174.62 172.58