#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 3.79 0.07 1.61 -7.23 -1.26 -5.05 120.40 112.32 1qkh s VAL 9 Ca 0.00 1.12 0.04 0.00 -1.81 0.00 0.00 61.98 61.32 1qkh s VAL 9 Cb 0.00 -3.45 -0.04 0.00 0.56 0.00 0.00 36.38 33.45 1qkh s VAL 9 CO 0.00 -0.24 0.02 0.72 -0.31 0.00 0.00 175.10 175.29 1qkh s PHE 10 N -1.98 3.06 -0.40 2.82 -0.71 -1.21 -5.00 117.98 114.56 1qkh s PHE 10 Ca 0.67 0.02 -0.13 0.00 -1.04 0.00 0.00 56.93 56.45 1qkh s PHE 10 Cb -0.16 -1.59 0.03 0.00 -1.21 0.00 0.00 43.02 40.09 1qkh s PHE 10 CO 0.20 0.49 0.26 0.54 -1.34 0.00 0.00 175.22 175.37 1qkh s VAL 11 N -1.28 4.93 -0.40 -2.49 0.11 -1.26 -1.73 120.40 118.28 1qkh s VAL 11 Ca 0.25 -0.80 -0.40 0.00 -2.93 0.00 0.00 61.98 58.11 1qkh s VAL 11 Cb -0.12 -3.77 -0.15 0.00 -1.53 0.00 0.00 36.38 30.81 1qkh s VAL 11 CO 0.17 -0.30 2.10 -0.67 -3.33 0.00 0.00 175.10 173.07 1qkh n ASP 12 N 5.09 1.61 0.24 3.54 2.03 -1.26 -4.77 116.55 123.02 1qkh n ASP 12 Ca -0.11 0.62 0.11 0.00 0.52 0.00 0.00 54.79 55.93 1qkh n ASP 12 Cb 0.46 -1.10 0.59 0.00 -0.72 0.00 0.00 41.12 40.36 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 10.21 0.00 0.29 1.67 3.58 -1.97 -2.19 116.42 128.00 1qkh h ASP 13 Ca -0.24 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.17 1qkh h ASP 13 Cb 1.36 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.40 1qkh h ASP 13 CO 1.04 0.17 -0.21 -0.74 -2.88 0.00 0.00 179.24 176.63 1qkh h HIS 14 N 0.00 0.00 0.06 0.28 2.76 -1.96 -1.51 115.15 114.77 1qkh h HIS 14 Ca -0.00 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 57.93 1qkh h HIS 14 Cb 0.55 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.51 1qkh h HIS 14 CO 0.00 0.21 -1.06 1.37 -1.30 0.00 0.00 177.93 177.15 1qkh h LEU 15 N 0.00 0.45 -0.23 0.26 8.10 -1.65 -3.27 115.31 118.96 1qkh h LEU 15 Ca -0.00 -0.41 -0.01 0.00 0.11 0.00 0.00 57.88 57.57 1qkh h LEU 15 Cb 0.40 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 40.47 1qkh h LEU 15 CO 0.03 1.25 0.11 -0.07 -4.11 0.00 0.00 178.44 175.65 1qkh h LEU 16 N 0.15 0.31 -1.91 0.17 4.07 -1.25 0.22 115.31 117.06 1qkh h LEU 16 Ca -0.10 -0.12 0.07 0.00 0.08 0.00 0.00 57.88 57.81 1qkh h LEU 16 Cb 1.74 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 43.39 1qkh h LEU 16 CO 0.18 0.34 0.43 1.05 -1.08 0.00 0.00 178.44 179.35 1qkh h GLU 17 N 0.25 0.00 0.00 1.13 4.11 -1.36 0.57 114.58 119.28 1qkh h GLU 17 Ca 0.08 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.19 1qkh h GLU 17 Cb 0.11 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 1qkh h GLU 17 CO -0.01 0.00 -2.22 1.63 0.07 0.00 0.00 179.01 178.48 1qkh n LYS 18 N -3.30 1.07 0.10 1.06 4.76 -0.71 -4.06 118.16 117.08 1qkh n LYS 18 Ca 0.03 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.25 1qkh n LYS 18 Cb 0.54 -1.45 -0.13 0.00 -1.84 0.00 0.00 35.03 32.15 1qkh n LYS 18 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 1qkh h VAL 19 N 0.00 1.28 -0.55 -0.18 3.04 0.58 -2.51 116.25 117.91 1qkh h VAL 19 Ca -0.48 -2.50 -0.04 0.00 -1.01 0.00 0.00 66.70 62.67 1qkh h VAL 19 Cb 2.06 2.74 -0.03 0.00 -2.01 0.00 0.00 31.29 34.06 1qkh h VAL 19 CO 0.02 0.76 0.17 -0.07 -1.01 0.00 0.00 177.57 177.43 1qkh h LEU 20 N 0.26 0.76 -1.12 3.16 3.38 -1.18 -0.40 115.31 120.17 1qkh h LEU 20 Ca -0.20 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.66 1qkh h LEU 20 Cb 1.96 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 42.46 1qkh h LEU 20 CO 0.24 0.72 0.59 -0.08 0.09 0.00 0.00 178.44 180.01 1qkh h GLU 21 N 0.80 1.17 0.00 1.13 4.81 -1.69 -0.74 114.58 120.06 1qkh h GLU 21 Ca 0.18 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.28 1qkh h GLU 21 Cb 0.24 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1qkh h GLU 21 CO -0.01 0.78 -0.31 -0.07 -0.73 0.00 0.00 179.01 178.67 1qkh h LEU 22 N 1.21 0.00 0.00 1.64 3.38 -0.66 -2.51 115.31 118.37 1qkh h LEU 22 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1qkh h LEU 22 Cb -0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1qkh h LEU 22 CO -0.07 0.31 -0.04 0.59 0.09 0.00 0.00 178.44 179.32 1qkh n ASN 23 N -3.40 0.10 0.06 -0.43 3.02 -0.38 -0.09 115.26 114.15 1qkh n ASN 23 Ca 0.00 0.45 -0.16 0.00 -0.03 0.00 0.00 54.58 54.84 1qkh n ASN 23 Cb 0.51 -0.47 -0.14 0.00 -0.61 0.00 0.00 39.78 39.07 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 2.96 0.28 0.00 5.41 0.00 -0.84 -3.37 119.26 123.70 1qkh h ALA 24 Ca 0.00 -1.11 -0.31 0.00 0.00 0.00 0.00 54.91 53.49 1qkh h ALA 24 Cb 0.52 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1qkh h ALA 24 CO 0.00 1.14 -2.22 0.36 0.00 0.00 0.00 179.25 178.54 1qkh n LYS 25 N -3.45 1.05 -0.04 0.00 2.85 -1.20 -5.01 118.16 112.36 1qkh n LYS 25 Ca -0.16 -0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.08 1qkh n LYS 25 Cb 1.04 -1.46 0.00 0.00 -0.65 0.00 0.00 35.03 33.96 1qkh n LYS 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1qkh n GLY 26 N 1.87 1.81 3.77 2.58 0.00 0.88 -5.08 105.19 111.01 1qkh n GLY 26 Ca -0.28 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.89 4.23 -1.10 1.61 2.02 -0.68 -5.01 118.70 118.87 1qkh s GLU 27 Ca 0.00 0.56 -0.07 0.00 0.02 0.00 0.00 54.97 55.48 1qkh s GLU 27 Cb 0.00 -3.34 0.29 0.00 0.10 0.00 0.00 34.13 31.18 1qkh s GLU 27 CO 0.00 0.38 1.25 1.63 0.02 0.00 0.00 175.26 178.54 1qkh n LYS 28 N 2.80 3.88 0.00 1.61 5.02 -1.26 -4.71 118.16 125.50 1qkh n LYS 28 Ca -0.09 -4.50 0.00 0.00 -2.02 0.00 0.00 58.31 51.71 1qkh n LYS 28 Cb 0.51 -2.54 0.00 0.00 -0.02 0.00 0.00 35.03 32.99 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 2.18 3.79 -4.46 1.97 0.63 -1.26 -4.89 116.66 114.63 1qkh n ARG 29 Ca 0.25 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.93 1qkh n ARG 29 Cb 0.37 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.18 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 2.70 -0.18 6.15 2.34 -1.26 -1.39 118.68 127.05 1qkh s LEU 30 Ca 0.00 -1.01 -0.02 0.00 0.06 0.00 0.00 54.13 53.16 1qkh s LEU 30 Cb 0.00 -1.17 0.05 0.00 -0.56 0.00 0.00 46.19 44.52 1qkh s LEU 30 CO 0.00 -0.02 0.01 -0.63 -1.06 0.00 0.00 176.35 174.64 1qkh s ILE 31 N -2.51 0.71 0.37 1.48 1.09 -0.89 -4.89 121.20 116.58 1qkh s ILE 31 Ca 0.31 -0.54 -0.13 0.00 -1.10 0.00 0.00 60.65 59.19 1qkh s ILE 31 Cb -0.04 -1.09 -0.08 0.00 -1.06 0.00 0.00 42.46 40.20 1qkh s ILE 31 CO 0.16 -0.07 0.77 -1.59 -0.10 0.00 0.00 174.94 174.11 1qkh s LYS 32 N 1.79 3.88 0.16 2.79 0.00 -1.26 0.30 119.74 127.39 1qkh s LYS 32 Ca -0.00 0.58 0.02 0.00 0.00 0.00 0.00 55.97 56.57 1qkh s LYS 32 Cb -0.16 -2.39 -0.05 0.00 0.00 0.00 0.00 37.83 35.23 1qkh s LYS 32 CO -0.07 0.03 -0.02 0.99 0.00 0.00 0.00 175.35 176.28 1qkh s THR 33 N -2.22 0.71 -0.20 3.79 2.01 -0.96 -4.62 115.64 114.15 1qkh s THR 33 Ca 0.53 -1.98 0.19 0.00 0.31 0.00 0.00 61.69 60.74 1qkh s THR 33 Cb -0.10 -2.01 0.42 0.00 0.01 0.00 0.00 72.50 70.82 1qkh s THR 33 CO 0.25 -0.57 1.22 0.79 -0.69 0.00 0.00 174.62 175.61 1qkh n TRP 34 N -0.20 0.10 0.00 4.92 8.01 -1.26 -4.05 117.44 124.96 1qkh n TRP 34 Ca -0.08 -1.56 0.00 0.00 -1.31 0.00 0.00 57.50 54.55 1qkh n TRP 34 Cb 0.63 0.29 0.00 0.00 -2.01 0.00 0.00 31.31 30.21 1qkh n TRP 34 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1qkh n SER 35 N -0.55 0.00 0.12 -0.99 2.88 -1.26 -5.06 113.62 108.76 1qkh n SER 35 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1qkh n SER 35 Cb 0.88 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.34 1qkh n SER 35 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1qkh n ARG 36 N 0.00 0.00 -1.20 -1.46 3.00 -1.26 -4.64 116.66 111.10 1qkh n ARG 36 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.85 57.56 1qkh n ARG 36 Cb 0.00 -0.12 0.11 0.00 0.00 0.00 0.00 32.46 32.45 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 -3.47 2.37 -1.33 5.56 1.74 -1.26 -4.30 116.66 115.97 1qkh n ARG 37 Ca 0.00 -2.91 -0.52 0.00 -0.77 0.00 0.00 57.85 53.66 1qkh n ARG 37 Cb 0.00 -2.14 -0.07 0.00 -1.02 0.00 0.00 32.46 29.23 1qkh n ARG 37 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1qkh n SER 38 N -0.85 0.59 -4.34 0.55 7.64 -1.25 -3.28 113.62 112.68 1qkh n SER 38 Ca 0.57 0.95 -0.18 0.00 1.01 0.00 0.00 58.87 61.21 1qkh n SER 38 Cb 1.06 -0.72 -0.10 0.00 -1.01 0.00 0.00 64.21 63.44 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 1.47 1.46 0.95 0.44 2.01 -0.70 -4.73 115.64 116.53 1qkh s THR 39 Ca 0.80 -2.12 -0.12 0.00 0.31 0.00 0.00 61.69 60.56 1qkh s THR 39 Cb -1.13 -2.16 0.16 0.00 0.01 0.00 0.00 72.50 69.38 1qkh s THR 39 CO 0.58 -0.50 1.09 -0.63 -0.69 0.00 0.00 174.62 174.47 1qkh s ILE 40 N -3.15 2.45 0.07 1.82 1.01 -1.26 -4.29 121.20 117.85 1qkh s ILE 40 Ca 0.24 0.14 0.00 0.00 0.00 0.00 0.00 60.65 61.04 1qkh s ILE 40 Cb 0.02 -2.47 -0.00 0.00 0.01 0.00 0.00 42.46 40.02 1qkh s ILE 40 CO 0.07 -0.19 0.01 1.33 0.00 0.00 0.00 174.94 176.16 1qkh n VAL 41 N -4.14 0.00 0.00 2.92 0.24 -1.26 -4.58 118.33 111.52 1qkh n VAL 41 Ca 0.07 -0.35 -0.10 0.00 -2.04 0.00 0.00 64.34 61.92 1qkh n VAL 41 Cb 0.54 0.09 -0.14 0.00 -1.47 0.00 0.00 33.84 32.87 1qkh n VAL 41 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1qkh h PRO 42 N 0.00 0.04 -0.60 7.34 0.13 -1.99 -3.34 132.00 133.58 1qkh h PRO 42 Ca -0.06 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1qkh h PRO 42 Cb 0.18 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.34 1qkh h PRO 42 CO 0.09 0.69 0.00 0.39 -0.23 0.00 0.00 178.00 178.95 1qkh n GLU 43 N -3.17 2.48 -0.13 0.86 -0.58 -1.26 -4.06 120.64 114.78 1qkh n GLU 43 Ca -0.15 -1.49 0.11 0.00 -0.42 0.00 0.00 57.16 55.22 1qkh n GLU 43 Cb 1.03 -1.62 0.29 0.00 -0.57 0.00 0.00 31.44 30.57 1qkh n GLU 43 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1qkh n MET 44 N 0.45 2.10 0.00 3.49 0.00 -1.25 -4.47 117.12 117.43 1qkh n MET 44 Ca 0.13 -1.66 0.00 0.00 0.00 0.00 0.00 57.70 56.18 1qkh n MET 44 Cb 0.54 -1.45 0.00 0.00 0.00 0.00 0.00 33.22 32.32 1qkh n MET 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1qkh n VAL 45 N 0.88 0.49 -2.44 3.17 0.31 -1.25 -2.17 118.33 117.32 1qkh n VAL 45 Ca 0.17 0.14 -0.02 0.00 -0.01 0.00 0.00 64.34 64.63 1qkh n VAL 45 Cb 0.46 -1.14 0.02 0.00 -0.91 0.00 0.00 33.84 32.27 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 -1.08 1.22 3.04 2.92 0.00 -0.99 -3.91 105.19 106.39 1qkh n GLY 46 Ca 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.69 0.48 -1.10 1.61 4.02 -0.92 -4.44 115.29 114.24 1qkh s HIS 47 Ca 0.16 -0.65 -0.10 0.00 1.02 0.00 0.00 55.06 55.50 1qkh s HIS 47 Cb 0.27 -0.31 0.27 0.00 -1.02 0.00 0.00 32.58 31.78 1qkh s HIS 47 CO -0.08 -0.19 1.11 0.99 1.02 0.00 0.00 174.74 177.59 1qkh s THR 48 N -2.07 5.92 -0.27 1.30 2.01 -0.49 -1.08 115.64 120.97 1qkh s THR 48 Ca -0.08 -3.32 -0.29 0.00 0.31 0.00 0.00 61.69 58.32 1qkh s THR 48 Cb -0.05 -4.62 0.01 0.00 0.01 0.00 0.00 72.50 67.84 1qkh s THR 48 CO -0.03 -1.21 1.16 -0.63 -0.69 0.00 0.00 174.62 173.23 1qkh s ILE 49 N -0.99 4.40 -1.28 1.82 1.01 -0.83 -2.08 121.20 123.25 1qkh s ILE 49 Ca 0.31 1.64 -0.19 0.00 0.00 0.00 0.00 60.65 62.41 1qkh s ILE 49 Cb -0.10 -4.26 0.05 0.00 0.01 0.00 0.00 42.46 38.16 1qkh s ILE 49 CO -0.08 -0.36 1.77 0.00 0.00 0.00 0.00 174.94 176.27 1qkh s ALA 50 N 3.73 3.08 0.13 9.38 0.00 0.15 -1.15 121.76 137.08 1qkh s ALA 50 Ca 0.50 -2.80 -0.33 0.00 0.00 0.00 0.00 51.96 49.33 1qkh s ALA 50 Cb -0.15 -4.65 -0.12 0.00 0.00 0.00 0.00 23.12 18.19 1qkh s ALA 50 CO 0.15 -3.60 1.74 1.33 0.00 0.00 0.00 175.76 175.38 1qkh n VAL 51 N 6.62 0.20 -2.37 0.00 0.24 -0.75 -2.26 118.33 120.01 1qkh n VAL 51 Ca 0.48 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.34 62.33 1qkh n VAL 51 Cb 0.46 -1.89 -0.03 0.00 -1.47 0.00 0.00 33.84 30.92 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 1.99 2.28 -1.92 6.34 5.04 -1.26 -1.81 117.35 128.02 1qkh s TYR 52 Ca 0.81 0.52 0.15 0.00 -2.44 0.00 0.00 57.07 56.11 1qkh s TYR 52 Cb -0.57 -4.36 0.89 0.00 0.35 0.00 0.00 41.96 38.27 1qkh s TYR 52 CO 0.38 -2.00 1.34 -1.71 -1.34 0.00 0.00 175.55 172.22 1qkh n ASN 53 N 9.53 0.00 0.00 4.32 5.15 -0.13 -4.12 115.26 130.01 1qkh n ASN 53 Ca 0.14 -0.40 0.00 0.00 -0.60 0.00 0.00 54.58 53.71 1qkh n ASN 53 Cb 0.49 -0.04 0.00 0.00 -0.53 0.00 0.00 39.78 39.70 1qkh n ASN 53 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qkh n GLY 54 N -0.04 2.16 0.00 8.20 0.00 -1.26 -4.82 105.19 109.43 1qkh n GLY 54 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.09 0.46 -4.20 1.61 2.85 -1.26 -5.06 118.16 112.48 1qkh n LYS 55 Ca 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.10 1qkh n LYS 55 Cb 0.00 -0.50 -0.11 0.00 -0.65 0.00 0.00 35.03 33.77 1qkh n LYS 55 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1qkh s GLN 56 N -0.92 0.91 -0.46 -1.58 1.03 -1.26 -5.11 119.66 112.27 1qkh s GLN 56 Ca 0.00 -1.18 -0.15 0.00 0.04 0.00 0.00 55.36 54.07 1qkh s GLN 56 Cb 0.00 -0.69 0.06 0.00 0.03 0.00 0.00 33.01 32.42 1qkh s GLN 56 CO 0.00 0.12 0.37 -1.01 -2.54 0.00 0.00 175.29 172.23 1qkh s HIS 57 N -2.27 3.25 -0.59 9.60 3.76 -1.26 -0.95 115.29 126.82 1qkh s HIS 57 Ca 0.06 -0.92 -0.19 0.00 -0.15 0.00 0.00 55.06 53.87 1qkh s HIS 57 Cb -0.04 -3.05 0.11 0.00 1.11 0.00 0.00 32.58 30.71 1qkh s HIS 57 CO 0.01 -0.76 0.70 0.08 -0.85 0.00 0.00 174.74 173.92 1qkh s VAL 58 N 1.63 4.84 -0.80 -0.90 1.01 -0.75 -4.74 120.40 120.69 1qkh s VAL 58 Ca 0.04 -1.03 -0.25 0.00 0.00 0.00 0.00 61.98 60.74 1qkh s VAL 58 Cb -0.23 -4.49 -0.07 0.00 0.00 0.00 0.00 36.38 31.59 1qkh s VAL 58 CO 0.07 -1.12 2.09 -2.16 0.00 0.00 0.00 175.10 173.98 1qkh s PRO 59 N 2.63 2.28 -0.32 2.72 0.04 -1.25 -1.81 135.00 139.28 1qkh s PRO 59 Ca 0.11 0.19 -0.14 0.00 0.04 0.00 0.00 61.00 61.20 1qkh s PRO 59 Cb -0.24 -4.85 -0.02 0.00 0.04 0.00 0.00 34.50 29.43 1qkh s PRO 59 CO 0.06 -3.55 0.30 0.08 0.04 0.00 0.00 177.00 173.93 1qkh s VAL 60 N 11.32 5.23 -0.42 -0.36 1.01 -0.30 -4.69 120.40 132.19 1qkh s VAL 60 Ca 0.78 0.04 -0.28 0.00 0.00 0.00 0.00 61.98 62.51 1qkh s VAL 60 Cb -0.10 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1qkh s VAL 60 CO 0.07 0.02 1.54 -0.47 0.00 0.00 0.00 175.10 176.26 1qkh s TYR 61 N 1.89 2.19 0.38 5.22 6.14 -1.25 -1.97 117.35 129.94 1qkh s TYR 61 Ca 0.09 0.64 -0.01 0.00 0.64 0.00 0.00 57.07 58.43 1qkh s TYR 61 Cb -0.17 -4.26 -0.03 0.00 0.42 0.00 0.00 41.96 37.91 1qkh s TYR 61 CO 0.11 -2.26 0.60 0.42 0.64 0.00 0.00 175.55 175.07 1qkh s ILE 62 N 6.11 5.06 0.00 3.14 1.09 -0.24 -4.92 121.20 131.44 1qkh s ILE 62 Ca 0.65 -0.30 0.00 0.00 -1.10 0.00 0.00 60.65 59.90 1qkh s ILE 62 Cb -0.15 -3.86 0.00 0.00 -1.06 0.00 0.00 42.46 37.38 1qkh s ILE 62 CO 0.31 -0.62 0.00 0.41 -0.10 0.00 0.00 174.94 174.94 1qkh n THR 63 N -1.88 0.00 -1.35 2.92 -1.04 -1.25 -2.35 114.28 109.33 1qkh n THR 63 Ca -0.04 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.73 1qkh n THR 63 Cb 0.56 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.03 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 0.00 2.27 0.00 -2.82 2.13 -1.26 -4.15 120.64 116.81 1qkh n GLU 64 Ca 0.00 -2.16 0.00 0.00 0.66 0.00 0.00 57.16 55.66 1qkh n GLU 64 Cb 0.00 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 29.68 1qkh n GLU 64 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1qkh n ASN 65 N 0.79 0.00 -0.34 4.31 5.15 -1.26 -4.92 115.26 118.99 1qkh n ASN 65 Ca 0.45 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 54.52 1qkh n ASN 65 Cb 0.57 0.00 0.40 0.00 -0.53 0.00 0.00 39.78 40.22 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 -0.92 1.45 -2.18 1.20 2.81 -1.26 -4.91 117.12 113.30 1qkh n MET 66 Ca 0.00 -0.68 -0.28 0.00 -1.81 0.00 0.00 57.70 54.94 1qkh n MET 66 Cb 0.00 -1.33 0.05 0.00 -0.71 0.00 0.00 33.22 31.23 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 -1.85 3.19 0.00 2.03 0.11 -1.26 -4.40 120.40 118.22 1qkh s VAL 67 Ca 0.28 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.40 1qkh s VAL 67 Cb 0.15 -3.33 0.00 0.00 -1.53 0.00 0.00 36.38 31.67 1qkh s VAL 67 CO 0.22 -0.37 0.00 0.61 -3.33 0.00 0.00 175.10 172.23 1qkh n GLY 68 N -2.82 2.93 0.00 6.54 0.00 -1.26 -4.95 105.19 105.63 1qkh n GLY 68 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.12 0.00 0.00 1.61 8.25 -1.26 -4.94 115.22 117.75 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 -4.19 118.16 111.93 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 0.15 -5.58 -0.00 -1.26 -4.40 117.00 105.90 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 0.51 0.00 -0.00 0.00 0.00 43.42 43.93 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 1.78 1.47 0.00 -1.91 -1.70 103.07 102.70 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 -0.19 0.83 0.00 0.00 0.00 176.54 177.18 1qkh h GLU 73 N 0.00 0.00 0.00 4.80 4.39 -1.93 -1.80 114.58 120.04 1qkh h GLU 73 Ca 0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1qkh h GLU 73 Cb 0.41 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1qkh h GLU 73 CO 0.00 0.00 -1.92 1.19 -1.16 0.00 0.00 179.01 177.12 1qkh n PHE 74 N -2.53 0.18 -2.94 4.33 3.01 -0.73 -4.54 117.46 114.24 1qkh n PHE 74 Ca 0.04 0.05 -0.18 0.00 1.01 0.00 0.00 57.45 58.37 1qkh n PHE 74 Cb 0.47 -0.69 -0.01 0.00 -0.01 0.00 0.00 39.48 39.24 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 -2.35 3.17 -1.00 4.37 0.00 -0.72 -4.93 120.51 119.05 1qkh n ALA 75 Ca -0.09 -3.67 -0.16 0.00 0.00 0.00 0.00 53.44 49.51 1qkh n ALA 75 Cb 0.70 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 19.27 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 0.02 1.86 -1.86 0.00 -0.04 -0.68 -3.84 135.00 130.45 1qkh n PRO 76 Ca 0.24 -1.41 -0.01 0.00 -0.04 0.00 0.00 63.50 62.28 1qkh n PRO 76 Cb 0.65 -1.71 0.04 0.00 -0.04 0.00 0.00 33.50 32.44 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 1.04 0.00 -3.87 0.52 5.66 -1.26 -5.10 114.28 111.26 1qkh n THR 77 Ca 0.32 -0.36 -0.11 0.00 -3.05 0.00 0.00 64.05 60.84 1qkh n THR 77 Cb 0.61 0.66 -0.11 0.00 -1.55 0.00 0.00 70.33 69.94 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 0.05 0.35 -0.03 1.09 3.00 -1.25 -5.16 118.95 117.00 1qkh s ARG 78 Ca 0.03 -0.25 -0.05 0.00 -1.00 0.00 0.00 55.73 54.46 1qkh s ARG 78 Cb 0.16 0.15 0.01 0.00 0.00 0.00 0.00 34.95 35.27 1qkh s ARG 78 CO -0.05 -0.07 0.13 -0.08 0.00 0.00 0.00 175.30 175.22 1qkh s THR 79 N -0.93 0.04 0.00 4.11 -1.32 -1.26 -5.13 115.64 111.15 1qkh s THR 79 Ca -0.10 -0.34 0.00 0.00 -1.21 0.00 0.00 61.69 60.04 1qkh s THR 79 Cb -0.06 -0.30 0.00 0.00 -1.51 0.00 0.00 72.50 70.64 1qkh s THR 79 CO 0.01 -0.19 0.00 0.00 -2.21 0.00 0.00 174.62 172.23