#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hcq h LYS 2 N 0.00 0.06 -6.55 0.03 3.64 -2.05 -3.45 116.57 108.25 1hcq h LYS 2 Ca 0.00 -0.08 -0.52 0.00 -1.27 0.00 0.00 60.65 58.78 1hcq h LYS 2 Cb 0.00 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1hcq h LYS 2 CO 0.00 0.94 0.16 -2.00 -2.27 0.00 0.00 179.45 176.27 1hcq s GLU 3 N -2.70 4.44 0.00 1.90 2.56 -1.26 -4.93 118.70 118.71 1hcq s GLU 3 Ca -0.17 1.05 0.00 0.00 0.00 0.00 0.00 54.97 55.84 1hcq s GLU 3 Cb -0.01 -3.09 0.00 0.00 2.00 0.00 0.00 34.13 33.03 1hcq s GLU 3 CO 0.71 0.49 0.02 0.25 -0.56 0.00 0.00 175.26 176.17 1hcq n THR 4 N 1.22 0.00 0.83 -1.70 -2.24 -1.26 -4.77 114.28 106.35 1hcq n THR 4 Ca -0.04 -0.17 0.12 0.00 -2.27 0.00 0.00 64.05 61.68 1hcq n THR 4 Cb 0.50 1.08 0.28 0.00 -2.10 0.00 0.00 70.33 70.08 1hcq n THR 4 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1hcq n ARG 5 N -0.30 2.15 -4.33 -0.78 1.85 -1.26 -4.79 116.66 109.20 1hcq n ARG 5 Ca 0.00 -1.71 -0.21 0.00 -1.00 0.00 0.00 57.85 54.93 1hcq n ARG 5 Cb 0.02 -1.46 -0.13 0.00 -1.05 0.00 0.00 32.46 29.84 1hcq n ARG 5 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1hcq s TYR 6 N -1.71 1.40 0.25 2.89 2.02 -1.26 -2.05 117.35 118.89 1hcq s TYR 6 Ca 0.35 -0.40 -0.31 0.00 -0.37 0.00 0.00 57.07 56.34 1hcq s TYR 6 Cb 0.20 -0.81 -0.12 0.00 -0.40 0.00 0.00 41.96 40.84 1hcq s TYR 6 CO 0.30 0.08 1.62 0.00 -1.57 0.00 0.00 175.55 175.98 1hcq h ALA 8 N 5.52 0.99 0.04 0.00 0.00 -1.63 -2.73 119.26 121.45 1hcq h ALA 8 Ca -0.45 -0.16 -0.32 0.00 0.00 0.00 0.00 54.91 53.97 1hcq h ALA 8 Cb 1.22 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1hcq h ALA 8 CO 0.85 0.22 -1.80 0.28 0.00 0.00 0.00 179.25 178.81 1hcq n VAL 9 N -3.30 1.60 0.01 0.00 0.31 -1.26 -4.69 118.33 111.00 1hcq n VAL 9 Ca 0.01 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1hcq n VAL 9 Cb 0.43 -1.87 0.01 0.00 -0.91 0.00 0.00 33.84 31.50 1hcq n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hcq n ASN 11 N -0.24 -5.44 -4.98 0.00 4.13 -1.03 -2.69 115.26 105.01 1hcq n ASN 11 Ca 0.01 0.27 -0.20 0.00 1.68 0.00 0.00 54.58 56.33 1hcq n ASN 11 Cb 0.16 -4.57 0.01 0.00 -1.54 0.00 0.00 39.78 33.83 1hcq n ASN 11 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1hcq s ASP 12 N -2.51 5.86 0.22 6.41 2.15 -1.26 -4.70 116.67 122.84 1hcq s ASP 12 Ca 0.00 -0.01 -0.31 0.00 0.43 0.00 0.00 52.55 52.66 1hcq s ASP 12 Cb 0.00 -1.29 -0.14 0.00 -0.30 0.00 0.00 42.92 41.19 1hcq s ASP 12 CO 0.00 -0.60 1.31 -1.22 -0.17 0.00 0.00 175.17 174.49 1hcq n TYR 13 N -1.86 1.84 -2.05 -5.34 4.01 -1.26 0.11 117.16 112.61 1hcq n TYR 13 Ca 0.01 0.53 -0.33 0.00 -0.16 0.00 0.00 57.90 57.96 1hcq n TYR 13 Cb 0.58 -2.39 0.01 0.00 -0.31 0.00 0.00 39.34 37.23 1hcq n TYR 13 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1hcq s ALA 14 N -0.17 2.75 -0.03 -0.72 0.00 -0.87 -4.27 121.76 118.45 1hcq s ALA 14 Ca 0.69 0.39 0.12 0.00 0.00 0.00 0.00 51.96 53.15 1hcq s ALA 14 Cb -0.72 -3.23 -0.18 0.00 0.00 0.00 0.00 23.12 19.00 1hcq s ALA 14 CO 0.51 -0.80 0.24 -1.13 0.00 0.00 0.00 175.76 174.58 1hcq n SER 15 N -2.03 2.27 -0.06 0.00 3.41 -0.49 -4.86 113.62 111.87 1hcq n SER 15 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1hcq n SER 15 Cb 0.53 1.46 0.00 0.00 -0.26 0.00 0.00 64.21 65.94 1hcq n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hcq n GLY 16 N 1.88 0.75 3.16 5.00 0.00 -1.23 -5.06 105.19 109.69 1hcq n GLY 16 Ca -0.04 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 1hcq n GLY 16 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1hcq s TYR 17 N -2.04 3.34 -0.13 1.61 5.04 -1.26 -3.12 117.35 120.79 1hcq s TYR 17 Ca 0.00 -2.01 0.02 0.00 -2.44 0.00 0.00 57.07 52.64 1hcq s TYR 17 Cb 0.00 -2.32 0.00 0.00 0.35 0.00 0.00 41.96 39.99 1hcq s TYR 17 CO 0.00 -0.84 -0.20 -1.01 -1.34 0.00 0.00 175.55 172.16 1hcq s HIS 18 N 1.22 2.67 -1.22 4.97 3.76 0.25 -4.70 115.29 122.24 1hcq s HIS 18 Ca -0.02 -1.12 0.00 0.00 -0.15 0.00 0.00 55.06 53.77 1hcq s HIS 18 Cb -0.20 -1.80 0.00 0.00 1.11 0.00 0.00 32.58 31.69 1hcq s HIS 18 CO -0.02 -0.48 0.00 0.66 -0.85 0.00 0.00 174.74 174.05 1hcq n TYR 19 N 3.84 -1.10 0.00 1.40 4.01 -1.26 -1.32 117.16 122.72 1hcq n TYR 19 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 1hcq n TYR 19 Cb 0.52 -2.83 0.00 0.00 -0.31 0.00 0.00 39.34 36.72 1hcq n TYR 19 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hcq n GLY 20 N -0.68 0.74 3.52 2.72 0.00 -1.26 -0.71 105.19 109.52 1hcq n GLY 20 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 1hcq n GLY 20 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hcq s VAL 21 N -2.00 0.03 0.07 1.61 -7.23 -0.44 -4.81 120.40 107.63 1hcq s VAL 21 Ca 0.00 -1.12 -0.30 0.00 -1.81 0.00 0.00 61.98 58.75 1hcq s VAL 21 Cb 0.00 -1.85 -0.06 0.00 0.56 0.00 0.00 36.38 35.04 1hcq s VAL 21 CO 0.00 -0.12 1.15 0.26 -0.31 0.00 0.00 175.10 176.08 1hcq s TRP 22 N -3.94 3.50 0.03 2.82 0.52 -1.26 -0.58 118.94 120.02 1hcq s TRP 22 Ca 0.15 1.42 -0.28 0.00 0.02 0.00 0.00 56.10 57.41 1hcq s TRP 22 Cb -0.00 -3.35 0.08 0.00 -1.15 0.00 0.00 33.47 29.05 1hcq s TRP 22 CO 0.02 -0.96 0.68 -1.54 0.02 0.00 0.00 176.95 175.17 1hcq s SER 23 N 0.86 -0.59 0.92 2.95 1.04 -1.18 -1.64 113.70 116.05 1hcq s SER 23 Ca 0.56 0.38 -0.13 0.00 0.48 0.00 0.00 55.95 57.23 1hcq s SER 23 Cb -0.28 0.54 0.15 0.00 0.10 0.00 0.00 66.02 66.52 1hcq s SER 23 CO 0.30 -0.74 1.17 0.00 0.98 0.00 0.00 173.24 174.96 1hcq h GLU 25 N -1.50 0.83 0.73 0.00 4.39 -1.95 -2.32 114.58 114.75 1hcq h GLU 25 Ca -0.48 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.08 1hcq h GLU 25 Cb 1.31 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 1hcq h GLU 25 CO 0.57 0.65 -0.50 0.78 -1.16 0.00 0.00 179.01 179.35 1hcq h GLY 26 N 0.92 -1.33 1.70 -3.84 0.00 -1.98 -0.89 103.07 97.66 1hcq h GLY 26 Ca 0.20 0.56 -0.01 0.00 0.00 0.00 0.00 47.33 48.08 1hcq h GLY 26 CO -0.03 -0.44 0.12 0.00 0.00 0.00 0.00 176.54 176.20 1hcq h LYS 28 N 0.40 -0.27 0.45 0.00 3.64 -1.05 0.35 116.57 120.09 1hcq h LYS 28 Ca 0.10 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1hcq h LYS 28 Cb 0.07 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1hcq h LYS 28 CO -0.01 -0.18 -0.35 0.00 -2.27 0.00 0.00 179.45 176.65 1hcq h ALA 29 N 0.58 -0.80 -0.62 5.00 0.00 -0.89 0.59 119.26 123.12 1hcq h ALA 29 Ca 0.01 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 54.90 1hcq h ALA 29 Cb 0.27 0.46 -0.12 0.00 0.00 0.00 0.00 17.79 18.40 1hcq h ALA 29 CO -0.04 -0.98 -0.12 0.35 0.00 0.00 0.00 179.25 178.46 1hcq h PHE 30 N -0.78 -0.26 0.93 0.00 3.57 -1.09 0.69 116.94 119.99 1hcq h PHE 30 Ca -0.04 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1hcq h PHE 30 Cb 0.67 0.21 0.01 0.00 2.79 0.00 0.00 35.95 39.63 1hcq h PHE 30 CO -0.15 -0.25 -0.45 0.35 -2.23 0.00 0.00 178.31 175.58 1hcq h PHE 31 N 0.02 -1.16 -0.90 0.41 3.57 0.20 0.21 116.94 119.30 1hcq h PHE 31 Ca 0.30 -0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.86 1hcq h PHE 31 Cb 0.48 0.38 -0.11 0.00 2.79 0.00 0.00 35.95 39.48 1hcq h PHE 31 CO -0.48 -0.72 -0.58 -0.22 -2.23 0.00 0.00 178.31 174.08 1hcq h LYS 32 N -1.32 -0.07 -0.39 1.11 3.64 0.14 0.52 116.57 120.21 1hcq h LYS 32 Ca -0.13 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1hcq h LYS 32 Cb 0.96 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.73 1hcq h LYS 32 CO 0.21 -0.04 -0.03 0.00 -2.27 0.00 0.00 179.45 177.32 1hcq h ARG 33 N -0.07 0.07 -0.76 1.90 3.08 0.44 0.51 114.38 119.56 1hcq h ARG 33 Ca 0.15 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.22 1hcq h ARG 33 Cb 0.44 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 1hcq h ARG 33 CO -0.88 0.05 0.50 0.77 -1.07 0.00 0.00 179.97 179.34 1hcq h SER 34 N 0.08 0.83 0.70 7.04 0.02 0.70 0.81 113.55 123.72 1hcq h SER 34 Ca 0.19 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.97 1hcq h SER 34 Cb 0.28 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1hcq h SER 34 CO -0.34 0.58 -0.74 0.16 -1.14 0.00 0.00 176.83 175.34 1hcq h ILE 35 N 0.96 1.52 -0.01 3.27 -0.00 -0.29 -3.09 117.51 119.87 1hcq h ILE 35 Ca 0.30 -2.50 -0.02 0.00 -0.00 0.00 0.00 64.86 62.64 1hcq h ILE 35 Cb -0.00 2.35 -0.00 0.00 -0.00 0.00 0.00 36.82 39.17 1hcq h ILE 35 CO -0.08 0.72 -0.08 0.06 -0.00 0.00 0.00 178.15 178.77 1hcq h GLN 36 N 0.02 0.01 0.00 0.16 -0.00 0.13 -3.40 115.11 112.03 1hcq h GLN 36 Ca -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1hcq h GLN 36 Cb 1.31 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.79 1hcq h GLN 36 CO 0.10 0.09 0.00 0.41 -0.00 0.00 0.00 178.83 179.43 1hcq n GLY 37 N -1.30 0.91 1.65 0.06 0.00 -0.21 -5.08 105.19 101.22 1hcq n GLY 37 Ca -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1hcq n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1hcq n HIS 38 N 0.00 -4.05 -2.18 1.61 8.25 -1.26 -5.05 115.22 112.54 1hcq n HIS 38 Ca 0.00 2.26 0.00 0.00 -0.26 0.00 0.00 57.72 59.72 1hcq n HIS 38 Cb 0.00 -3.36 0.00 0.00 1.12 0.00 0.00 29.99 27.75 1hcq n HIS 38 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1hcq n ASN 39 N 0.89 0.00 -0.55 0.41 5.03 -1.26 -5.65 115.26 114.13 1hcq n ASN 39 Ca 0.00 -0.01 -0.05 0.00 0.87 0.00 0.00 54.58 55.39 1hcq n ASN 39 Cb 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1hcq n ASN 39 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1hcq n ASP 40 N -0.01 -2.15 -4.48 6.41 4.64 -1.26 -5.05 116.55 114.66 1hcq n ASP 40 Ca 0.00 -0.00 -0.28 0.00 -1.38 0.00 0.00 54.79 53.13 1hcq n ASP 40 Cb 0.00 -1.52 0.14 0.00 -1.04 0.00 0.00 41.12 38.70 1hcq n ASP 40 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 1hcq s TYR 41 N -2.24 2.04 -0.17 -0.67 2.02 -1.26 -5.07 117.35 112.01 1hcq s TYR 41 Ca 0.00 0.32 -0.15 0.00 -0.37 0.00 0.00 57.07 56.87 1hcq s TYR 41 Cb 0.00 -3.70 0.04 0.00 -0.40 0.00 0.00 41.96 37.91 1hcq s TYR 41 CO 0.00 -2.16 0.44 1.41 -1.57 0.00 0.00 175.55 173.67 1hcq s MET 42 N -5.62 0.52 -0.22 -0.62 -2.45 -1.26 -4.95 119.30 104.69 1hcq s MET 42 Ca 0.69 0.61 -0.17 0.00 -1.25 0.00 0.00 55.69 55.57 1hcq s MET 42 Cb -0.06 0.25 -0.03 0.00 1.25 0.00 0.00 34.83 36.24 1hcq s MET 42 CO 0.50 -0.06 0.48 0.00 1.05 0.00 0.00 175.02 176.98 1hcq h PRO 44 N 7.66 0.00 0.00 0.00 0.10 -2.01 -3.44 132.00 134.31 1hcq h PRO 44 Ca -0.33 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.77 1hcq h PRO 44 Cb 1.15 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.25 1hcq h PRO 44 CO 0.72 0.00 0.00 0.00 0.10 0.00 0.00 178.00 178.82 1hcq n ALA 45 N -2.59 0.00 0.51 -0.75 0.00 -1.26 -5.06 120.51 111.36 1hcq n ALA 45 Ca 0.10 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.64 1hcq n ALA 45 Cb 0.65 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.36 1hcq n ALA 45 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1hcq n THR 46 N 0.00 0.54 -1.73 0.00 -2.24 -1.26 -4.93 114.28 104.66 1hcq n THR 46 Ca 0.00 -0.64 -0.03 0.00 -2.27 0.00 0.00 64.05 61.11 1hcq n THR 46 Cb 0.00 0.54 -0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1hcq n THR 46 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1hcq n ASN 47 N 1.02 -2.20 -2.78 3.42 3.02 -1.26 -4.94 115.26 111.55 1hcq n ASN 47 Ca 0.18 0.02 -0.03 0.00 -0.03 0.00 0.00 54.58 54.72 1hcq n ASN 47 Cb 0.47 -1.07 0.05 0.00 -0.61 0.00 0.00 39.78 38.61 1hcq n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hcq n GLN 48 N -1.81 1.52 -2.28 3.52 10.64 -1.26 -4.99 117.38 122.72 1hcq n GLN 48 Ca -0.03 -3.35 -0.32 0.00 -1.83 0.00 0.00 57.00 51.47 1hcq n GLN 48 Cb 0.38 -1.42 -0.02 0.00 -0.86 0.00 0.00 30.24 28.33 1hcq n GLN 48 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1hcq s THR 50 N -2.50 4.71 -0.60 0.00 2.01 -1.26 -4.95 115.64 113.05 1hcq s THR 50 Ca 0.61 1.89 -0.17 0.00 0.31 0.00 0.00 61.69 64.33 1hcq s THR 50 Cb -0.13 -4.27 0.13 0.00 0.01 0.00 0.00 72.50 68.24 1hcq s THR 50 CO 0.32 -0.17 0.62 -0.63 -0.69 0.00 0.00 174.62 174.07 1hcq s ILE 51 N 3.14 5.08 0.00 1.82 -1.09 -1.26 -3.94 121.20 124.95 1hcq s ILE 51 Ca 0.42 -1.39 0.00 0.00 -2.23 0.00 0.00 60.65 57.44 1hcq s ILE 51 Cb -0.15 -4.42 0.00 0.00 -1.58 0.00 0.00 42.46 36.31 1hcq s ILE 51 CO 0.07 -1.00 0.00 -0.67 -1.23 0.00 0.00 174.94 172.11 1hcq n ASP 52 N 5.60 1.42 0.00 3.58 -0.08 -1.14 -4.41 116.55 121.52 1hcq n ASP 52 Ca -0.09 -0.66 0.00 0.00 -1.51 0.00 0.00 54.79 52.53 1hcq n ASP 52 Cb 0.42 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.88 1hcq n ASP 52 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1hcq n LYS 53 N 0.00 0.00 -0.07 -0.67 0.00 -1.10 -3.72 118.16 112.60 1hcq n LYS 53 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.24 1hcq n LYS 53 Cb 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 35.03 34.98 1hcq n LYS 53 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1hcq h ASN 54 N 0.00 0.00 -2.44 3.14 2.35 -1.88 -3.39 115.58 113.36 1hcq h ASN 54 Ca 0.00 -0.22 -0.63 0.00 -0.55 0.00 0.00 56.30 54.90 1hcq h ASN 54 Cb 0.10 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.33 1hcq h ASN 54 CO 0.00 0.79 0.74 -0.13 -1.65 0.00 0.00 177.43 177.18 1hcq s ARG 55 N -1.98 3.26 -0.75 0.81 0.52 -1.26 -4.91 118.95 114.64 1hcq s ARG 55 Ca -0.11 -0.98 -0.25 0.00 -0.52 0.00 0.00 55.73 53.87 1hcq s ARG 55 Cb 0.01 -4.46 -0.14 0.00 0.52 0.00 0.00 34.95 30.87 1hcq s ARG 55 CO 0.25 -1.88 2.40 0.54 0.02 0.00 0.00 175.30 176.64 1hcq n ARG 56 N 7.76 0.60 -4.22 3.54 1.74 -1.26 -4.33 116.66 120.48 1hcq n ARG 56 Ca 0.06 -0.59 -0.13 0.00 -0.77 0.00 0.00 57.85 56.42 1hcq n ARG 56 Cb 0.47 -3.37 -0.10 0.00 -1.02 0.00 0.00 32.46 28.44 1hcq n ARG 56 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1hcq s LYS 57 N 8.64 0.98 0.00 5.56 1.02 -1.24 -4.97 119.74 129.73 1hcq s LYS 57 Ca 0.99 -1.41 0.00 0.00 0.02 0.00 0.00 55.97 55.56 1hcq s LYS 57 Cb -0.23 -0.48 0.00 0.00 -0.52 0.00 0.00 37.83 36.60 1hcq s LYS 57 CO 0.17 0.04 0.00 0.45 -0.92 0.00 0.00 175.35 175.09 1hcq n SER 58 N -0.14 0.00 -3.74 2.83 2.88 -1.25 -2.89 113.62 111.30 1hcq n SER 58 Ca -0.11 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.20 1hcq n SER 58 Cb 0.61 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.89 1hcq n SER 58 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hcq h GLN 60 N 8.34 0.04 0.01 0.00 4.20 -1.98 0.11 115.11 125.82 1hcq h GLN 60 Ca -0.18 -0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.31 1hcq h GLN 60 Cb 1.12 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.92 1hcq h GLN 60 CO 0.26 0.02 -0.87 0.00 -0.67 0.00 0.00 178.83 177.57 1hcq h ALA 61 N 1.39 0.09 0.00 3.87 0.00 -1.92 -2.35 119.26 120.33 1hcq h ALA 61 Ca 0.61 -0.65 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1hcq h ALA 61 Cb 2.37 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 20.20 1hcq h ALA 61 CO -0.04 0.54 -0.37 0.00 0.00 0.00 0.00 179.25 179.37 1hcq h ARG 63 N 0.00 -0.03 -0.41 0.00 2.43 -0.89 -1.91 114.38 113.57 1hcq h ARG 63 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1hcq h ARG 63 Cb 0.80 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 1hcq h ARG 63 CO 0.05 0.62 0.20 1.25 -1.51 0.00 0.00 179.97 180.59 1hcq h LEU 64 N -0.74 0.50 0.57 3.80 5.85 -1.39 -0.23 115.31 123.67 1hcq h LEU 64 Ca -0.00 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1hcq h LEU 64 Cb 0.67 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.58 1hcq h LEU 64 CO 0.01 0.42 -0.27 0.08 -0.34 0.00 0.00 178.44 178.33 1hcq h ARG 65 N 0.57 -0.74 -0.45 1.25 0.11 -1.45 -2.43 114.38 111.24 1hcq h ARG 65 Ca 0.14 0.05 0.05 0.00 0.10 0.00 0.00 59.98 60.32 1hcq h ARG 65 Cb 0.05 0.17 -0.08 0.00 1.11 0.00 0.00 29.97 31.22 1hcq h ARG 65 CO -0.02 -0.43 -0.47 -0.22 0.10 0.00 0.00 179.97 178.93 1hcq h LYS 66 N -1.04 -0.25 -0.67 0.08 3.64 -1.02 0.48 116.57 117.79 1hcq h LYS 66 Ca -0.08 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.45 1hcq h LYS 66 Cb 0.65 0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 32.40 1hcq h LYS 66 CO 0.13 -0.17 -0.19 0.00 -2.27 0.00 0.00 179.45 176.96 1hcq h TYR 68 N 0.00 0.68 -0.72 0.00 0.05 0.19 -1.75 116.97 115.42 1hcq h TYR 68 Ca 0.30 -0.39 0.09 0.00 0.05 0.00 0.00 58.73 58.78 1hcq h TYR 68 Cb 0.47 -0.07 -0.07 0.00 1.01 0.00 0.00 36.73 38.07 1hcq h TYR 68 CO -0.53 1.22 0.37 0.93 -1.05 0.00 0.00 178.16 179.11 1hcq h GLU 69 N 0.24 0.62 -0.33 4.88 5.08 0.82 -1.80 114.58 124.08 1hcq h GLU 69 Ca -0.10 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1hcq h GLU 69 Cb 1.66 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.77 1hcq h GLU 69 CO 0.18 0.41 0.00 1.33 -1.00 0.00 0.00 179.01 179.93 1hcq n VAL 70 N -4.84 0.42 0.00 3.13 0.24 -0.14 -4.92 118.33 112.22 1hcq n VAL 70 Ca 0.11 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1hcq n VAL 70 Cb 0.26 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 1hcq n VAL 70 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hcq n GLY 71 N 0.82 0.84 3.61 7.63 0.00 -0.68 -4.91 105.19 112.50 1hcq n GLY 71 Ca 0.09 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.63 1hcq n GLY 71 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1hcq n MET 72 N -1.19 1.47 0.00 1.61 2.81 -0.66 -4.73 117.12 116.42 1hcq n MET 72 Ca 0.00 0.53 0.00 0.00 -1.81 0.00 0.00 57.70 56.42 1hcq n MET 72 Cb 0.00 -2.12 0.00 0.00 -0.71 0.00 0.00 33.22 30.39 1hcq n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1hcq n MET 73 N 2.14 0.00 0.00 0.03 -0.00 0.11 -4.67 117.12 114.73 1hcq n MET 73 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.85 1hcq n MET 73 Cb 0.26 -0.33 0.00 0.00 -0.00 0.00 0.00 33.22 33.15 1hcq n MET 73 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60