#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 4.61 -0.01 1.61 -7.23 -1.26 -5.08 120.40 113.04 1qkh s VAL 9 Ca 0.00 1.04 0.02 0.00 -1.81 0.00 0.00 61.98 61.23 1qkh s VAL 9 Cb 0.00 -3.66 0.00 0.00 0.56 0.00 0.00 36.38 33.28 1qkh s VAL 9 CO 0.00 -0.41 -0.05 0.12 -0.31 0.00 0.00 175.10 174.44 1qkh s PHE 10 N -2.27 0.55 -0.22 2.82 5.36 -1.26 -5.13 117.98 117.83 1qkh s PHE 10 Ca 0.56 -0.11 -0.03 0.00 -0.96 0.00 0.00 56.93 56.40 1qkh s PHE 10 Cb -0.10 -0.39 0.00 0.00 -0.34 0.00 0.00 43.02 42.20 1qkh s PHE 10 CO 0.23 -0.04 -0.07 0.54 -1.46 0.00 0.00 175.22 174.42 1qkh s VAL 11 N 0.08 3.10 -0.64 3.12 0.11 -1.26 -2.80 120.40 122.12 1qkh s VAL 11 Ca -0.01 -0.67 -0.36 0.00 -2.93 0.00 0.00 61.98 58.01 1qkh s VAL 11 Cb -0.05 -2.44 -0.17 0.00 -1.53 0.00 0.00 36.38 32.19 1qkh s VAL 11 CO -0.00 0.39 2.36 -0.67 -3.33 0.00 0.00 175.10 173.84 1qkh n ASP 12 N 4.75 1.00 0.28 3.54 2.03 -1.26 -4.74 116.55 122.15 1qkh n ASP 12 Ca -0.18 0.36 0.16 0.00 0.52 0.00 0.00 54.79 55.66 1qkh n ASP 12 Cb 0.50 -1.03 0.74 0.00 -0.72 0.00 0.00 41.12 40.60 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 11.54 0.00 0.40 1.67 3.58 -1.96 -2.32 116.42 129.32 1qkh h ASP 13 Ca -0.13 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.26 1qkh h ASP 13 Cb 1.35 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.39 1qkh h ASP 13 CO 1.18 0.05 -0.29 -0.74 -2.88 0.00 0.00 179.24 176.57 1qkh h HIS 14 N 0.00 0.00 0.04 0.28 2.76 -1.95 -2.30 115.15 113.98 1qkh h HIS 14 Ca -0.00 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 57.91 1qkh h HIS 14 Cb 0.44 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.42 1qkh h HIS 14 CO 0.00 0.29 -1.07 1.37 -1.30 0.00 0.00 177.93 177.22 1qkh h LEU 15 N 0.00 0.66 -0.56 0.26 8.10 -1.66 -3.25 115.31 118.87 1qkh h LEU 15 Ca -0.00 -0.57 -0.00 0.00 0.11 0.00 0.00 57.88 57.41 1qkh h LEU 15 Cb 0.56 -0.21 -0.03 0.00 -0.44 0.00 0.00 40.66 40.55 1qkh h LEU 15 CO 0.04 1.38 0.34 -0.07 -4.11 0.00 0.00 178.44 176.02 1qkh h LEU 16 N 0.25 0.66 -2.18 0.17 4.07 -1.46 0.76 115.31 117.59 1qkh h LEU 16 Ca -0.12 -0.05 0.06 0.00 0.08 0.00 0.00 57.88 57.85 1qkh h LEU 16 Cb 1.73 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 43.29 1qkh h LEU 16 CO 0.19 0.52 0.26 1.05 -1.08 0.00 0.00 178.44 179.38 1qkh h GLU 17 N 0.75 0.00 0.00 1.13 4.11 -1.46 -0.44 114.58 118.67 1qkh h GLU 17 Ca 0.20 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.30 1qkh h GLU 17 Cb -0.03 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 1qkh h GLU 17 CO -0.04 0.00 -2.24 1.63 0.07 0.00 0.00 179.01 178.43 1qkh n LYS 18 N -3.69 1.00 -0.01 1.06 5.02 -0.47 -4.25 118.16 116.82 1qkh n LYS 18 Ca 0.02 0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.21 1qkh n LYS 18 Cb 0.39 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 33.95 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 1.31 0.00 -0.18 3.04 0.12 -2.37 116.25 118.17 1qkh h VAL 19 Ca -0.49 -1.85 -0.04 0.00 -1.01 0.00 0.00 66.70 63.31 1qkh h VAL 19 Cb 2.06 1.81 -0.01 0.00 -2.01 0.00 0.00 31.29 33.15 1qkh h VAL 19 CO 0.01 0.58 -0.18 0.17 -1.01 0.00 0.00 177.57 177.14 1qkh h LEU 20 N 0.47 0.00 -0.61 3.16 8.10 -1.33 0.19 115.31 125.30 1qkh h LEU 20 Ca -0.00 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.84 1qkh h LEU 20 Cb 1.17 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.38 1qkh h LEU 20 CO 0.12 0.18 -0.66 -0.08 -4.11 0.00 0.00 178.44 173.89 1qkh h GLU 21 N 0.00 0.16 0.00 0.17 4.81 -1.66 -2.26 114.58 115.80 1qkh h GLU 21 Ca -0.00 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 1qkh h GLU 21 Cb 0.36 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1qkh h GLU 21 CO 0.02 0.76 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.82 1qkh h LEU 22 N 0.12 0.00 0.00 1.64 3.38 -0.51 -2.56 115.31 117.38 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 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1qkh h LEU 22 CO 0.10 0.18 -0.47 0.78 0.09 0.00 0.00 178.44 179.12 1qkh h ASN 23 N 0.00 0.00 0.23 -0.43 2.35 -0.87 0.25 115.58 117.10 1qkh h ASN 23 Ca -0.00 -0.01 -0.35 0.00 -0.55 0.00 0.00 56.30 55.39 1qkh h ASN 23 Cb 0.98 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.35 1qkh h ASN 23 CO 0.02 0.00 -1.76 0.00 -1.65 0.00 0.00 177.43 174.05 1qkh h ALA 24 N 2.04 0.23 0.00 -0.83 0.00 -1.27 -3.36 119.26 116.07 1qkh h ALA 24 Ca 0.00 -1.19 -0.16 0.00 0.00 0.00 0.00 54.91 53.57 1qkh h ALA 24 Cb 0.98 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 1qkh h ALA 24 CO 0.00 1.10 -1.43 1.63 0.00 0.00 0.00 179.25 180.55 1qkh n LYS 25 N -3.54 0.62 -0.38 0.00 5.02 -0.98 -4.96 118.16 113.94 1qkh n LYS 25 Ca -0.25 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1qkh n LYS 25 Cb 1.07 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 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 1.39 0.78 3.70 0.72 0.00 -0.05 -5.04 105.19 106.69 1qkh n GLY 26 Ca -0.10 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.71 4.42 -0.55 1.61 2.02 -0.49 -4.95 118.70 120.05 1qkh s GLU 27 Ca 0.00 1.69 0.03 0.00 0.02 0.00 0.00 54.97 56.71 1qkh s GLU 27 Cb 0.00 -3.44 0.40 0.00 0.10 0.00 0.00 34.13 31.19 1qkh s GLU 27 CO 0.00 -0.29 1.32 1.63 0.02 0.00 0.00 175.26 177.93 1qkh n LYS 28 N 4.36 3.31 0.00 1.61 5.02 -1.26 -4.66 118.16 126.55 1qkh n LYS 28 Ca 0.09 -4.32 0.00 0.00 -2.02 0.00 0.00 58.31 52.06 1qkh n LYS 28 Cb 0.47 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 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 -0.47 0.00 -3.61 1.97 0.63 -1.26 -4.73 116.66 109.19 1qkh n ARG 29 Ca 0.42 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 57.27 1qkh n ARG 29 Cb 0.54 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.39 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 -0.32 -0.21 6.15 2.34 -1.26 -3.65 118.68 121.74 1qkh s LEU 30 Ca 0.00 0.45 -0.02 0.00 0.06 0.00 0.00 54.13 54.62 1qkh s LEU 30 Cb 0.00 1.69 0.01 0.00 -0.56 0.00 0.00 46.19 47.33 1qkh s LEU 30 CO 0.00 -0.22 -0.10 -0.63 -1.06 0.00 0.00 176.35 174.35 1qkh s ILE 31 N -0.61 2.84 0.45 1.48 1.01 -1.00 -4.92 121.20 120.44 1qkh s ILE 31 Ca 0.02 -0.74 -0.20 0.00 0.00 0.00 0.00 60.65 59.73 1qkh s ILE 31 Cb -0.02 -2.29 -0.10 0.00 0.01 0.00 0.00 42.46 40.05 1qkh s ILE 31 CO -0.04 0.42 0.96 -0.54 0.00 0.00 0.00 174.94 175.75 1qkh s LYS 32 N 1.39 4.13 0.06 2.79 -0.14 -1.26 0.47 119.74 127.17 1qkh s LYS 32 Ca 0.04 1.10 0.01 0.00 -1.36 0.00 0.00 55.97 55.76 1qkh s LYS 32 Cb -0.14 -2.16 -0.03 0.00 -1.68 0.00 0.00 37.83 33.81 1qkh s LYS 32 CO -0.07 -0.12 -0.05 0.99 -0.76 0.00 0.00 175.35 175.34 1qkh s THR 33 N -2.27 0.43 0.00 2.17 2.01 -0.76 -4.58 115.64 112.64 1qkh s THR 33 Ca 0.62 -1.47 0.17 0.00 0.31 0.00 0.00 61.69 61.32 1qkh s THR 33 Cb -0.10 -1.08 0.29 0.00 0.01 0.00 0.00 72.50 71.62 1qkh s THR 33 CO 0.18 -0.69 1.11 0.79 -0.69 0.00 0.00 174.62 175.31 1qkh n TRP 34 N 0.73 0.00 0.00 4.92 8.01 -1.26 -4.00 117.44 125.83 1qkh n TRP 34 Ca -0.18 -0.48 0.00 0.00 -1.31 0.00 0.00 57.50 55.54 1qkh n TRP 34 Cb 0.58 0.05 0.00 0.00 -2.01 0.00 0.00 31.31 29.93 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 0.33 0.00 0.06 -0.99 7.64 -1.26 -5.02 113.62 114.38 1qkh n SER 35 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1qkh n SER 35 Cb 1.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.20 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 -1.41 1.43 0.63 -1.25 -4.73 116.66 111.32 1qkh n ARG 36 Ca 0.00 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.60 1qkh n ARG 36 Cb 0.00 0.00 0.06 0.00 0.45 0.00 0.00 32.46 32.97 1qkh n ARG 36 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1qkh n ARG 37 N -2.93 2.58 -1.61 -0.14 0.00 -1.26 -3.24 116.66 110.06 1qkh n ARG 37 Ca 0.00 -3.07 -0.48 0.00 -0.00 0.00 0.00 57.85 54.30 1qkh n ARG 37 Cb 0.00 -2.19 -0.04 0.00 0.00 0.00 0.00 32.46 30.23 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 -0.58 1.93 -4.35 6.15 7.64 -1.25 -4.38 113.62 118.78 1qkh n SER 38 Ca 0.56 1.14 -0.19 0.00 1.01 0.00 0.00 58.87 61.39 1qkh n SER 38 Cb 0.55 -1.30 -0.10 0.00 -1.01 0.00 0.00 64.21 62.35 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 -0.02 1.60 0.65 0.44 2.01 -1.12 -4.70 115.64 114.50 1qkh s THR 39 Ca 0.73 -2.16 -0.11 0.00 0.31 0.00 0.00 61.69 60.46 1qkh s THR 39 Cb -0.78 -2.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.57 1qkh s THR 39 CO 0.50 -0.52 1.04 -0.63 -0.69 0.00 0.00 174.62 174.32 1qkh s ILE 40 N -3.05 4.14 0.31 1.82 1.09 -1.26 -4.21 121.20 120.04 1qkh s ILE 40 Ca 0.24 0.64 0.03 0.00 -1.10 0.00 0.00 60.65 60.47 1qkh s ILE 40 Cb 0.01 -3.68 -0.06 0.00 -1.06 0.00 0.00 42.46 37.67 1qkh s ILE 40 CO 0.07 -0.88 0.06 0.68 -0.10 0.00 0.00 174.94 174.77 1qkh s VAL 41 N -3.23 1.09 0.34 2.92 -7.23 -1.26 -4.20 120.40 108.82 1qkh s VAL 41 Ca 0.56 -2.01 0.09 0.00 -1.81 0.00 0.00 61.98 58.81 1qkh s VAL 41 Cb -0.11 -2.73 0.08 0.00 0.56 0.00 0.00 36.38 34.18 1qkh s VAL 41 CO 0.52 -0.03 1.78 1.55 -0.31 0.00 0.00 175.10 178.62 1qkh h PRO 42 N 2.19 0.18 -0.00 4.82 0.13 -1.98 -2.30 132.00 135.03 1qkh h PRO 42 Ca -0.40 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1qkh h PRO 42 Cb 1.24 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1qkh h PRO 42 CO 0.68 0.50 0.00 -0.85 -0.23 0.00 0.00 178.00 178.10 1qkh n GLU 43 N -4.10 1.01 0.00 0.86 0.28 -1.26 -3.29 120.64 114.15 1qkh n GLU 43 Ca -0.01 -0.02 0.11 0.00 -0.16 0.00 0.00 57.16 57.08 1qkh n GLU 43 Cb 0.41 -1.22 0.05 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 -0.70 0.94 0.00 3.44 2.81 -0.86 -4.54 117.12 118.21 1qkh n MET 44 Ca 0.10 -0.74 0.00 0.00 -1.81 0.00 0.00 57.70 55.25 1qkh n MET 44 Cb 0.05 -1.48 0.00 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 -0.38 0.53 -2.76 2.03 0.31 -1.21 -1.21 118.33 115.65 1qkh n VAL 45 Ca 0.09 0.32 -0.00 0.00 -0.01 0.00 0.00 64.34 64.73 1qkh n VAL 45 Cb 0.43 -1.32 0.06 0.00 -0.91 0.00 0.00 33.84 32.10 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 -1.03 1.75 3.04 2.92 0.00 -1.26 -2.43 105.19 108.18 1qkh n GLY 46 Ca 0.00 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.58 0.05 -1.09 1.61 4.02 -0.35 -4.66 115.29 112.28 1qkh s HIS 47 Ca 0.23 -0.12 -0.10 0.00 1.02 0.00 0.00 55.06 56.09 1qkh s HIS 47 Cb 0.35 -0.06 0.27 0.00 -1.02 0.00 0.00 32.58 32.12 1qkh s HIS 47 CO -0.07 -0.20 1.09 0.99 1.02 0.00 0.00 174.74 177.57 1qkh s THR 48 N -1.03 5.97 -0.16 1.30 2.01 -1.24 -1.47 115.64 121.01 1qkh s THR 48 Ca -0.11 -3.35 -0.25 0.00 0.31 0.00 0.00 61.69 58.30 1qkh s THR 48 Cb -0.06 -4.60 -0.02 0.00 0.01 0.00 0.00 72.50 67.83 1qkh s THR 48 CO 0.01 -1.18 0.79 -0.63 -0.69 0.00 0.00 174.62 172.92 1qkh s ILE 49 N -1.11 4.91 -1.27 1.82 1.01 -0.76 -2.38 121.20 123.41 1qkh s ILE 49 Ca 0.30 1.56 -0.19 0.00 0.00 0.00 0.00 60.65 62.32 1qkh s ILE 49 Cb -0.10 -4.10 0.04 0.00 0.01 0.00 0.00 42.46 38.30 1qkh s ILE 49 CO -0.08 0.05 1.78 0.00 0.00 0.00 0.00 174.94 176.69 1qkh s ALA 50 N 2.01 2.98 0.21 9.38 0.00 0.18 -1.44 121.76 135.07 1qkh s ALA 50 Ca 0.37 -2.74 -0.32 0.00 0.00 0.00 0.00 51.96 49.27 1qkh s ALA 50 Cb -0.17 -4.65 -0.11 0.00 0.00 0.00 0.00 23.12 18.19 1qkh s ALA 50 CO 0.13 -3.73 1.68 0.14 0.00 0.00 0.00 175.76 173.98 1qkh s VAL 51 N 5.72 2.15 -0.56 0.00 -7.23 -0.84 -1.83 120.40 117.81 1qkh s VAL 51 Ca 0.57 0.11 -0.28 0.00 -1.81 0.00 0.00 61.98 60.57 1qkh s VAL 51 Cb 0.03 -3.07 0.02 0.00 0.56 0.00 0.00 36.38 33.92 1qkh s VAL 51 CO 0.09 0.01 1.29 -0.47 -0.31 0.00 0.00 175.10 175.71 1qkh s TYR 52 N 1.06 2.46 -2.00 2.82 5.04 -1.25 -1.64 117.35 123.84 1qkh s TYR 52 Ca 0.73 0.45 0.16 0.00 -2.44 0.00 0.00 57.07 55.96 1qkh s TYR 52 Cb -0.48 -4.46 0.95 0.00 0.35 0.00 0.00 41.96 38.31 1qkh s TYR 52 CO 0.33 -1.77 1.36 -1.71 -1.34 0.00 0.00 175.55 172.42 1qkh n ASN 53 N 8.92 0.00 0.00 4.32 5.15 -0.04 -3.80 115.26 129.82 1qkh n ASN 53 Ca 0.10 -0.50 0.00 0.00 -0.60 0.00 0.00 54.58 53.59 1qkh n ASN 53 Cb 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.74 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 -0.01 2.20 0.00 8.20 0.00 -1.20 -4.82 105.19 109.57 1qkh n GLY 54 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.13 0.85 -4.12 1.61 2.85 -1.26 -4.96 118.16 112.99 1qkh n LYS 55 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 1qkh n LYS 55 Cb 0.00 -0.50 -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 1.14 -0.05 0.00 0.00 177.40 178.49 1qkh s GLN 56 N -0.86 0.69 -0.46 -1.58 1.03 -1.26 -5.12 119.66 112.11 1qkh s GLN 56 Ca 0.00 -1.07 -0.14 0.00 0.04 0.00 0.00 55.36 54.19 1qkh s GLN 56 Cb 0.00 -0.25 0.07 0.00 0.03 0.00 0.00 33.01 32.86 1qkh s GLN 56 CO 0.00 0.01 0.36 -1.01 -2.54 0.00 0.00 175.29 172.11 1qkh s HIS 57 N -2.57 3.26 -0.55 9.60 3.76 -1.26 -0.86 115.29 126.67 1qkh s HIS 57 Ca 0.02 -1.05 -0.18 0.00 -0.15 0.00 0.00 55.06 53.70 1qkh s HIS 57 Cb -0.02 -3.08 0.09 0.00 1.11 0.00 0.00 32.58 30.68 1qkh s HIS 57 CO -0.02 -0.80 0.64 0.08 -0.85 0.00 0.00 174.74 173.79 1qkh s VAL 58 N 1.59 4.90 -0.81 -0.90 1.01 -0.65 -4.71 120.40 120.83 1qkh s VAL 58 Ca 0.04 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 60.90 1qkh s VAL 58 Cb -0.24 -4.39 -0.07 0.00 0.00 0.00 0.00 36.38 31.69 1qkh s VAL 58 CO 0.06 -0.96 2.09 -2.16 0.00 0.00 0.00 175.10 174.13 1qkh s PRO 59 N 2.51 2.28 -0.18 2.72 0.04 -1.25 -1.99 135.00 139.13 1qkh s PRO 59 Ca 0.11 0.14 -0.05 0.00 0.04 0.00 0.00 61.00 61.25 1qkh s PRO 59 Cb -0.23 -4.87 -0.03 0.00 0.04 0.00 0.00 34.50 29.41 1qkh s PRO 59 CO 0.08 -3.57 -0.01 0.08 0.04 0.00 0.00 177.00 173.62 1qkh s VAL 60 N 11.34 4.02 -0.37 -0.36 1.01 -0.52 -4.70 120.40 130.82 1qkh s VAL 60 Ca 0.77 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 62.17 1qkh s VAL 60 Cb -0.10 -2.80 -0.00 0.00 0.00 0.00 0.00 36.38 33.48 1qkh s VAL 60 CO 0.06 0.45 1.51 -0.47 0.00 0.00 0.00 175.10 176.65 1qkh s TYR 61 N 0.75 2.25 0.04 5.22 6.14 -1.25 -1.83 117.35 128.67 1qkh s TYR 61 Ca -0.00 0.66 -0.30 0.00 0.64 0.00 0.00 57.07 58.07 1qkh s TYR 61 Cb -0.14 -4.20 -0.18 0.00 0.42 0.00 0.00 41.96 37.86 1qkh s TYR 61 CO 0.02 -2.28 1.44 0.82 0.64 0.00 0.00 175.55 176.19 1qkh h ILE 62 N 6.48 0.36 -2.01 3.14 5.03 -1.37 -3.48 117.51 125.65 1qkh h ILE 62 Ca -0.29 -0.19 0.20 0.00 -0.12 0.00 0.00 64.86 64.46 1qkh h ILE 62 Cb 1.12 0.43 -0.11 0.00 -3.03 0.00 0.00 36.82 35.24 1qkh h ILE 62 CO 1.06 0.03 -0.69 0.41 -0.68 0.00 0.00 178.15 178.27 1qkh n THR 63 N -5.39 -0.43 -1.36 -0.27 -1.04 -1.02 -2.94 114.28 101.84 1qkh n THR 63 Ca -0.12 0.49 -0.38 0.00 -2.04 0.00 0.00 64.05 62.00 1qkh n THR 63 Cb 0.35 -0.77 -0.02 0.00 -1.82 0.00 0.00 70.33 68.06 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 -3.40 3.29 0.00 -2.82 0.00 -1.23 -3.56 120.64 112.92 1qkh n GLU 64 Ca -0.05 -2.22 0.00 0.00 0.00 0.00 0.00 57.16 54.89 1qkh n GLU 64 Cb 0.40 -2.89 0.00 0.00 0.00 0.00 0.00 31.44 28.94 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 4.37 0.00 -1.19 4.31 5.15 -1.26 -4.96 115.26 121.69 1qkh n ASN 65 Ca 0.68 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 54.77 1qkh n ASN 65 Cb 0.27 0.00 0.28 0.00 -0.53 0.00 0.00 39.78 39.80 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 -0.54 2.51 -2.82 1.20 2.81 -1.15 -4.97 117.12 114.16 1qkh n MET 66 Ca 0.00 -2.33 -0.25 0.00 -1.81 0.00 0.00 57.70 53.31 1qkh n MET 66 Cb 0.00 -1.52 0.01 0.00 -0.71 0.00 0.00 33.22 31.00 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 -1.23 4.34 0.00 2.03 0.11 -1.26 -4.46 120.40 119.93 1qkh s VAL 67 Ca 0.43 -0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.29 1qkh s VAL 67 Cb 0.23 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 31.44 1qkh s VAL 67 CO 0.31 -0.54 0.00 0.61 -3.33 0.00 0.00 175.10 172.15 1qkh n GLY 68 N -2.20 2.25 0.00 6.54 0.00 -1.26 -4.96 105.19 105.56 1qkh n GLY 68 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.33 0.00 0.00 1.61 8.25 -1.26 -4.92 115.22 117.57 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 -0.18 0.00 0.00 -0.41 -0.00 -1.26 -4.17 118.16 112.13 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 0.13 -5.58 -0.00 -1.26 -4.50 117.00 105.78 1qkh n LEU 71 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.13 1qkh n LEU 71 Cb 0.00 0.00 0.47 0.00 -0.00 0.00 0.00 43.42 43.89 1qkh n LEU 71 CO 0.00 0.00 0.87 0.61 -0.00 0.00 0.00 177.39 178.87 1qkh n GLY 72 N 0.00 -1.39 0.17 1.47 0.00 -1.26 -1.97 105.19 102.22 1qkh n GLY 72 Ca 0.00 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1qkh n GLY 72 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qkh h GLU 73 N 0.00 0.00 0.00 1.61 4.39 -1.93 -1.10 114.58 117.55 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 0.46 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1qkh h GLU 73 CO 0.00 0.00 -1.79 1.19 -1.16 0.00 0.00 179.01 177.25 1qkh n PHE 74 N -2.78 0.31 -2.85 4.33 3.01 -0.85 -4.47 117.46 114.16 1qkh n PHE 74 Ca 0.04 0.10 -0.18 0.00 1.01 0.00 0.00 57.45 58.41 1qkh n PHE 74 Cb 0.50 -0.74 -0.01 0.00 -0.01 0.00 0.00 39.48 39.22 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 3.47 -1.25 4.37 0.00 -0.83 -4.95 120.51 118.99 1qkh n ALA 75 Ca -0.08 -3.71 -0.21 0.00 0.00 0.00 0.00 53.44 49.44 1qkh n ALA 75 Cb 0.69 -0.83 -0.11 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.06 2.43 -2.21 0.00 -0.04 -0.42 -4.80 135.00 129.90 1qkh n PRO 76 Ca 0.23 -1.69 -0.41 0.00 -0.04 0.00 0.00 63.50 61.60 1qkh n PRO 76 Cb 0.66 -2.15 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1qkh n PRO 76 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1qkh s THR 77 N -0.09 3.00 -0.12 0.52 2.01 -1.26 -4.96 115.64 114.73 1qkh s THR 77 Ca 0.64 0.95 -0.22 0.00 0.31 0.00 0.00 61.69 63.36 1qkh s THR 77 Cb 0.32 -3.60 -0.20 0.00 0.01 0.00 0.00 72.50 69.03 1qkh s THR 77 CO -0.08 0.20 0.62 0.03 -0.69 0.00 0.00 174.62 174.70 1qkh h ARG 78 N 4.06 -0.01 0.00 4.92 3.08 -2.02 -3.45 114.38 120.95 1qkh h ARG 78 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1qkh h ARG 78 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1qkh h ARG 78 CO 0.69 0.74 -0.30 0.25 -1.07 0.00 0.00 179.97 180.28 1qkh n THR 79 N -4.67 0.28 -1.37 2.04 -2.24 -1.26 -5.33 114.28 101.73 1qkh n THR 79 Ca -0.08 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1qkh n THR 79 Cb 0.36 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 1qkh n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50