#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgq s PRO 2 N 0.00 4.37 0.00 0.03 0.04 -1.26 -4.96 135.00 133.22 2hgq s PRO 2 Ca 0.00 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2hgq s PRO 2 Cb 0.00 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.16 2hgq s PRO 2 CO 0.00 -0.38 0.85 1.17 0.04 0.00 0.00 177.00 178.68 2hgq n LYS 3 N 4.31 0.00 -1.01 4.56 4.81 -1.26 -5.05 118.16 124.53 2hgq n LYS 3 Ca 0.10 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 2hgq n LYS 3 Cb 0.45 -1.35 0.00 0.00 0.02 0.00 0.00 35.03 34.15 2hgq n LYS 3 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2hgq n MET 4 N -1.64 -0.90 -0.25 1.64 2.81 -1.26 -5.03 117.12 112.49 2hgq n MET 4 Ca 0.00 1.06 -0.09 0.00 -1.81 0.00 0.00 57.70 56.86 2hgq n MET 4 Cb 0.00 -0.98 0.01 0.00 -0.71 0.00 0.00 33.22 31.54 2hgq n MET 4 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2hgq n LYS 5 N 0.31 0.00 -2.02 0.03 0.00 -0.30 -4.42 118.16 111.75 2hgq n LYS 5 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.04 2hgq n LYS 5 Cb 0.00 -0.25 -0.06 0.00 -0.00 0.00 0.00 35.03 34.72 2hgq n LYS 5 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 2hgq s THR 6 N -0.49 3.47 0.11 0.58 -1.32 -1.26 -4.55 115.64 112.17 2hgq s THR 6 Ca 0.10 -0.69 -0.16 0.00 -1.21 0.00 0.00 61.69 59.74 2hgq s THR 6 Cb -0.05 -4.33 0.02 0.00 -1.51 0.00 0.00 72.50 66.62 2hgq s THR 6 CO 0.20 -0.90 0.90 1.41 -2.21 0.00 0.00 174.62 174.02 2hgq n HIS 7 N 14.67 -0.17 0.00 9.09 -0.00 -1.26 0.45 115.22 138.00 2hgq n HIS 7 Ca 0.43 0.72 0.00 0.00 -0.00 0.00 0.00 57.72 58.88 2hgq n HIS 7 Cb 0.47 -0.60 0.00 0.00 -0.00 0.00 0.00 29.99 29.85 2hgq n HIS 7 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2hgq n LYS 8 N -4.77 0.00 -0.31 -0.41 4.01 -1.26 0.46 118.16 115.88 2hgq n LYS 8 Ca 0.03 0.58 -0.08 0.00 -0.51 0.00 0.00 58.31 58.33 2hgq n LYS 8 Cb 0.18 -0.91 -0.07 0.00 -0.51 0.00 0.00 35.03 33.71 2hgq n LYS 8 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2hgq n GLY 9 N -0.96 -2.41 0.32 0.72 0.00 1.59 0.12 105.19 104.57 2hgq n GLY 9 Ca 0.00 0.97 0.17 0.00 0.00 0.00 0.00 46.02 47.16 2hgq n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgq h ALA 10 N 0.21 1.41 0.47 4.61 0.00 0.17 -1.76 119.26 124.37 2hgq h ALA 10 Ca 0.12 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 2hgq h ALA 10 Cb 0.30 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2hgq h ALA 10 CO -0.69 -0.59 -0.23 0.87 0.00 0.00 0.00 179.25 178.61 2hgq h LYS 11 N 0.10 -0.61 -6.13 0.00 1.57 0.30 -3.40 116.57 108.39 2hgq h LYS 11 Ca 0.63 0.04 -0.58 0.00 -1.87 0.00 0.00 60.65 58.86 2hgq h LYS 11 Cb 1.37 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.80 2hgq h LYS 11 CO -0.77 -0.41 1.38 0.21 -0.57 0.00 0.00 179.45 179.29 2hgq s LYS 12 N -4.15 3.25 0.00 3.15 2.20 -0.16 -4.72 119.74 119.31 2hgq s LYS 12 Ca -0.09 1.74 0.00 0.00 -0.36 0.00 0.00 55.97 57.26 2hgq s LYS 12 Cb 0.01 -4.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.05 2hgq s LYS 12 CO 0.28 -1.96 0.00 0.54 -0.36 0.00 0.00 175.35 173.85 2hgq n ARG 13 N 8.57 0.00 -2.10 4.03 1.74 -1.26 -4.74 116.66 122.90 2hgq n ARG 13 Ca 0.26 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.31 2hgq n ARG 13 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 2hgq n ARG 13 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2hgq n VAL 14 N 0.00 -6.12 -4.63 1.55 0.31 -1.20 -4.47 118.33 103.77 2hgq n VAL 14 Ca 0.00 0.43 -0.24 0.00 -0.01 0.00 0.00 64.34 64.52 2hgq n VAL 14 Cb 0.00 -5.47 -0.14 0.00 -0.91 0.00 0.00 33.84 27.31 2hgq n VAL 14 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2hgq s LYS 15 N -1.65 1.31 0.04 5.55 -0.14 -0.15 -4.61 119.74 120.10 2hgq s LYS 15 Ca 0.10 -0.84 0.08 0.00 -1.36 0.00 0.00 55.97 53.96 2hgq s LYS 15 Cb -0.03 -1.37 -0.03 0.00 -1.68 0.00 0.00 37.83 34.72 2hgq s LYS 15 CO 0.35 0.35 -0.24 0.42 -0.76 0.00 0.00 175.35 175.47 2hgq s ILE 16 N -0.73 1.90 -0.24 2.17 1.01 -1.26 -0.58 121.20 123.47 2hgq s ILE 16 Ca 0.06 -1.29 -0.05 0.00 0.00 0.00 0.00 60.65 59.38 2hgq s ILE 16 Cb -0.08 -1.64 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 2hgq s ILE 16 CO 0.01 0.29 -0.00 0.42 0.00 0.00 0.00 174.94 175.66 2hgq s THR 17 N -0.79 3.64 -0.34 2.92 -4.23 0.10 -4.95 115.64 111.98 2hgq s THR 17 Ca 0.10 -0.48 0.01 0.00 -1.18 0.00 0.00 61.69 60.13 2hgq s THR 17 Cb -0.09 -2.71 0.01 0.00 1.34 0.00 0.00 72.50 71.04 2hgq s THR 17 CO 0.02 0.34 0.72 0.00 -0.54 0.00 0.00 174.62 175.15 2hgq n ALA 18 N 4.83 0.38 -0.19 3.99 0.00 -1.26 -0.51 120.51 127.75 2hgq n ALA 18 Ca -0.17 0.01 -0.06 0.00 0.00 0.00 0.00 53.44 53.22 2hgq n ALA 18 Cb 0.50 -0.39 0.04 0.00 0.00 0.00 0.00 19.45 19.60 2hgq n ALA 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2hgq h SER 19 N 0.00 0.58 0.00 0.00 4.64 -2.05 -3.45 113.55 113.28 2hgq h SER 19 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2hgq h SER 19 Cb 0.64 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2hgq h SER 19 CO 0.00 0.41 0.00 0.61 -0.87 0.00 0.00 176.83 176.98 2hgq n GLY 20 N -1.25 0.00 3.68 -0.77 0.00 0.33 -5.18 105.19 102.00 2hgq n GLY 20 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 2hgq n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgq s LYS 21 N 0.00 2.03 0.32 1.61 1.02 -0.55 -4.99 119.74 119.19 2hgq s LYS 21 Ca 0.00 -1.51 -0.06 0.00 0.02 0.00 0.00 55.97 54.42 2hgq s LYS 21 Cb 0.00 0.55 0.01 0.00 -0.52 0.00 0.00 37.83 37.86 2hgq s LYS 21 CO 0.00 -0.91 0.50 0.08 -0.92 0.00 0.00 175.35 174.10 2hgq s VAL 22 N -2.83 0.00 0.12 3.17 1.01 -1.24 -0.72 120.40 119.91 2hgq s VAL 22 Ca 0.21 -1.51 -0.25 0.00 0.00 0.00 0.00 61.98 60.43 2hgq s VAL 22 Cb -0.03 -2.57 0.07 0.00 0.00 0.00 0.00 36.38 33.85 2hgq s VAL 22 CO 0.14 0.00 0.79 -0.69 0.00 0.00 0.00 175.10 175.35 2hgq s VAL 23 N -3.20 0.00 0.04 2.92 1.01 0.25 -4.40 120.40 117.02 2hgq s VAL 23 Ca 0.27 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2hgq s VAL 23 Cb -0.01 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 2hgq s VAL 23 CO 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 175.10 175.23 2hgq s ALA 24 N -3.46 0.37 0.25 5.51 0.00 -0.41 -0.97 121.76 123.05 2hgq s ALA 24 Ca 0.06 -0.83 -0.27 0.00 0.00 0.00 0.00 51.96 50.92 2hgq s ALA 24 Cb -0.02 0.16 -0.16 0.00 0.00 0.00 0.00 23.12 23.11 2hgq s ALA 24 CO -0.05 -0.19 0.64 -1.33 0.00 0.00 0.00 175.76 174.83 2hgq n MET 25 N 1.08 0.44 -0.20 0.00 2.81 -1.26 -1.21 117.12 118.78 2hgq n MET 25 Ca -0.20 0.16 0.17 0.00 -1.81 0.00 0.00 57.70 56.01 2hgq n MET 25 Cb 0.57 -1.29 0.32 0.00 -0.71 0.00 0.00 33.22 32.11 2hgq n MET 25 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2hgq n LYS 26 N 0.90 -0.04 -0.08 0.03 5.02 -0.15 -4.46 118.16 119.38 2hgq n LYS 26 Ca 0.15 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.30 2hgq n LYS 26 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 2hgq n LYS 26 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2hgq n THR 27 N -4.48 0.00 -0.34 -0.18 5.66 -1.26 -4.73 114.28 108.95 2hgq n THR 27 Ca 0.21 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.36 2hgq n THR 27 Cb 0.71 -0.08 0.30 0.00 -1.55 0.00 0.00 70.33 69.71 2hgq n THR 27 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2hgq h GLY 28 N 0.00 1.29 0.00 1.09 0.00 -1.83 -3.41 103.07 100.21 2hgq h GLY 28 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2hgq h GLY 28 CO 0.00 -0.53 0.00 0.28 0.00 0.00 0.00 176.54 176.29 2hgq n LYS 29 N -5.48 0.00 0.00 4.80 5.02 -1.26 -5.17 118.16 116.06 2hgq n LYS 29 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 2hgq n LYS 29 Cb 0.78 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.79 2hgq n LYS 29 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2hgq n ARG 30 N -1.84 0.00 -3.02 1.97 0.63 -1.26 -4.59 116.66 108.54 2hgq n ARG 30 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 2hgq n ARG 30 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2hgq n ARG 30 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2hgq n HIS 31 N 0.00 -0.57 0.00 -0.14 -0.00 -1.26 -4.66 115.22 108.59 2hgq n HIS 31 Ca 0.00 0.21 0.00 0.00 0.46 0.00 0.00 57.72 58.39 2hgq n HIS 31 Cb 0.00 -0.82 0.00 0.00 -0.12 0.00 0.00 29.99 29.05 2hgq n HIS 31 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2hgq n LEU 32 N -1.28 0.00 0.00 0.27 4.77 -1.26 -5.13 117.00 114.36 2hgq n LEU 32 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2hgq n LEU 32 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2hgq n LEU 32 CO 0.20 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 176.85 2hgq n ASN 33 N 0.00 0.00 -0.56 -1.43 3.02 -1.26 -5.05 115.26 109.98 2hgq n ASN 33 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2hgq n ASN 33 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2hgq n ASN 33 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2hgq n TRP 34 N 0.00 0.00 0.78 3.10 5.03 -1.26 -4.84 117.44 120.25 2hgq n TRP 34 Ca 0.00 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.53 2hgq n TRP 34 Cb 0.00 -1.09 0.00 0.00 -1.03 0.00 0.00 31.31 29.19 2hgq n TRP 34 CO 0.00 0.00 0.00 0.94 -0.03 0.00 0.00 177.69 178.60 2hgq n GLN 35 N -0.56 0.78 0.00 -0.99 -0.06 -1.26 -3.96 117.38 111.34 2hgq n GLN 35 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2hgq n GLN 35 Cb 0.26 -1.18 0.00 0.00 -4.06 0.00 0.00 30.24 25.26 2hgq n GLN 35 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2hgq n LYS 36 N 0.47 0.00 0.00 3.69 3.00 -1.26 -5.08 118.16 118.98 2hgq n LYS 36 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2hgq n LYS 36 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.37 2hgq n LYS 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2hgq n SER 37 N 0.00 0.00 0.00 3.14 3.41 -1.25 -5.14 113.62 113.78 2hgq n SER 37 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2hgq n SER 37 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2hgq n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hgq n GLY 38 N 0.00 1.84 0.00 5.00 0.00 -1.26 -4.64 105.19 106.13 2hgq n GLY 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgq n GLY 38 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2hgq n LYS 39 N 0.00 0.00 0.03 1.61 0.00 -1.26 0.46 118.16 119.00 2hgq n LYS 39 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 2hgq n LYS 39 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 34.96 2hgq n LYS 39 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2hgq h GLU 40 N 0.00 0.01 0.00 -1.58 5.08 -2.01 -1.65 114.58 114.43 2hgq h GLU 40 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2hgq h GLU 40 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2hgq h GLU 40 CO 0.00 0.01 0.00 -0.89 -1.00 0.00 0.00 179.01 177.13 2hgq n ILE 41 N -5.09 0.00 1.66 3.13 2.08 1.64 -2.89 119.36 119.89 2hgq n ILE 41 Ca -0.07 0.00 0.12 0.00 0.56 0.00 0.00 62.75 63.36 2hgq n ILE 41 Cb 0.04 -0.59 0.71 0.00 -0.75 0.00 0.00 39.64 39.05 2hgq n ILE 41 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2hgq n ARG 42 N -0.54 0.83 -3.68 0.38 3.00 -0.62 -4.50 116.66 111.52 2hgq n ARG 42 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.85 57.49 2hgq n ARG 42 Cb 0.00 -1.45 -0.07 0.00 0.00 0.00 0.00 32.46 30.93 2hgq n ARG 42 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2hgq s GLN 43 N -2.00 3.15 0.00 5.56 1.11 -1.14 -4.71 119.66 121.63 2hgq s GLN 43 Ca 0.36 -3.32 0.07 0.00 0.01 0.00 0.00 55.36 52.48 2hgq s GLN 43 Cb 0.17 -3.86 0.12 0.00 -1.01 0.00 0.00 33.01 28.42 2hgq s GLN 43 CO 0.28 -1.27 1.03 1.17 0.01 0.00 0.00 175.29 176.50 2hgq n LYS 44 N 2.23 0.00 0.00 2.91 3.00 -1.26 -4.60 118.16 120.43 2hgq n LYS 44 Ca 0.21 -1.23 0.00 0.00 -0.00 0.00 0.00 58.31 57.29 2hgq n LYS 44 Cb 0.37 -0.33 0.00 0.00 0.00 0.00 0.00 35.03 35.07 2hgq n LYS 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hgq n GLY 45 N 0.14 -0.08 3.55 3.14 0.00 -1.26 -4.55 105.19 106.12 2hgq n GLY 45 Ca 0.01 -1.27 -0.26 0.00 0.00 0.00 0.00 46.02 44.51 2hgq n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hgq s ARG 46 N 0.00 1.83 0.15 1.61 0.52 -1.26 -0.98 118.95 120.83 2hgq s ARG 46 Ca 0.00 -2.01 -0.13 0.00 -0.52 0.00 0.00 55.73 53.07 2hgq s ARG 46 Cb 0.00 -1.41 0.01 0.00 0.52 0.00 0.00 34.95 34.07 2hgq s ARG 46 CO 0.00 -0.05 0.36 -1.59 0.02 0.00 0.00 175.30 174.03 2hgq s LYS 47 N -3.75 1.15 -0.19 3.54 -2.85 -0.35 -4.54 119.74 112.76 2hgq s LYS 47 Ca 0.35 -0.96 -0.11 0.00 -1.00 0.00 0.00 55.97 54.25 2hgq s LYS 47 Cb 0.08 0.43 0.06 0.00 -2.06 0.00 0.00 37.83 36.34 2hgq s LYS 47 CO 0.17 -0.44 0.46 0.12 0.10 0.00 0.00 175.35 175.75 2hgq s PHE 48 N -3.89 -0.68 -0.22 1.78 5.99 -1.26 -1.29 117.98 118.41 2hgq s PHE 48 Ca 0.10 1.43 -0.07 0.00 0.00 0.00 0.00 56.93 58.39 2hgq s PHE 48 Cb 0.02 0.33 -0.03 0.00 0.00 0.00 0.00 43.02 43.34 2hgq s PHE 48 CO -0.05 -0.37 0.06 0.08 -0.00 0.00 0.00 175.22 174.94 2hgq s VAL 49 N 1.40 4.37 0.00 3.12 1.01 -1.26 -5.08 120.40 123.96 2hgq s VAL 49 Ca -0.09 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.73 2hgq s VAL 49 Cb -0.08 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.29 2hgq s VAL 49 CO -0.13 0.38 0.00 -0.11 0.00 0.00 0.00 175.10 175.24 2hgq n LEU 50 N 4.44 0.00 0.00 3.92 0.00 -1.26 -3.81 117.00 120.29 2hgq n LEU 50 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.85 2hgq n LEU 50 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.94 2hgq n LEU 50 CO 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 177.39 177.67 2hgq n ALA 51 N -3.00 0.00 0.00 1.96 0.00 -1.26 -3.92 120.51 114.29 2hgq n ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgq n ALA 51 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgq n ALA 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2hgq n LYS 52 N 14.00 0.00 0.00 0.00 4.81 -1.26 -3.69 118.16 132.02 2hgq n LYS 52 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2hgq n LYS 52 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2hgq n LYS 52 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2hgq n PRO 53 N -1.74 0.00 -0.01 1.64 -0.04 -1.25 -2.96 135.00 130.64 2hgq n PRO 53 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 2hgq n PRO 53 Cb 0.00 -1.12 -0.01 0.00 -0.04 0.00 0.00 33.50 32.33 2hgq n PRO 53 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2hgq n GLU 54 N 2.33 0.17 -0.36 0.54 4.71 -1.24 -4.08 120.64 122.71 2hgq n GLU 54 Ca 0.00 0.07 0.01 0.00 -0.01 0.00 0.00 57.16 57.22 2hgq n GLU 54 Cb 0.00 -0.71 0.07 0.00 -1.01 0.00 0.00 31.44 29.79 2hgq n GLU 54 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2hgq h ALA 55 N -0.62 0.30 -0.50 0.62 0.00 -1.89 1.67 119.26 118.85 2hgq h ALA 55 Ca 0.00 0.30 0.06 0.00 0.00 0.00 0.00 54.91 55.28 2hgq h ALA 55 Cb 0.32 0.92 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 2hgq h ALA 55 CO 0.00 -0.55 -0.52 0.93 0.00 0.00 0.00 179.25 179.11 2hgq h GLU 56 N -0.01 -0.31 0.00 0.00 3.07 -1.82 0.11 114.58 115.62 2hgq h GLU 56 Ca 0.38 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 2hgq h GLU 56 Cb 0.63 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 2hgq h GLU 56 CO -0.98 -0.21 0.00 -2.13 -1.40 0.00 0.00 179.01 174.29 2hgq n ARG 57 N -5.38 0.00 -0.03 2.33 0.63 0.55 -1.09 116.66 113.68 2hgq n ARG 57 Ca -0.01 0.35 0.22 0.00 -0.92 0.00 0.00 57.85 57.48 2hgq n ARG 57 Cb 0.34 -1.04 0.70 0.00 0.45 0.00 0.00 32.46 32.91 2hgq n ARG 57 CO 0.00 0.00 0.00 -0.84 -2.51 0.00 0.00 177.63 174.28 2hgq h ILE 58 N 0.00 0.68 0.51 5.15 -0.00 -0.92 0.97 117.51 123.89 2hgq h ILE 58 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 64.86 64.84 2hgq h ILE 58 Cb 0.00 0.70 -0.00 0.00 -0.00 0.00 0.00 36.82 37.51 2hgq h ILE 58 CO 0.00 0.00 -0.31 0.11 -0.00 0.00 0.00 178.15 177.95 2hgq h LYS 59 N 0.00 -0.75 0.67 0.16 1.79 -0.77 -3.24 116.57 114.43 2hgq h LYS 59 Ca 0.28 0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.77 2hgq h LYS 59 Cb 1.14 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.95 2hgq h LYS 59 CO -0.00 -0.50 -0.49 1.25 -1.08 0.00 0.00 179.45 178.63 2hgq h LEU 60 N -0.77 -1.29 0.00 2.94 6.46 0.25 -0.79 115.31 122.11 2hgq h LEU 60 Ca -0.06 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2hgq h LEU 60 Cb 0.63 0.40 0.00 0.00 -0.73 0.00 0.00 40.66 40.96 2hgq h LEU 60 CO 0.06 -0.71 0.00 0.18 -0.62 0.00 0.00 178.44 177.35 2hgq n LEU 61 N -5.60 0.00 0.00 2.25 4.77 -0.05 -3.16 117.00 115.21 2hgq n LEU 61 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2hgq n LEU 61 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2hgq n LEU 61 CO 0.32 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.56 2hgq n LEU 62 N 0.00 0.00 0.00 2.23 7.99 -1.26 -4.63 117.00 121.33 2hgq n LEU 62 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2hgq n LEU 62 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2hgq n LEU 62 CO 0.00 0.00 0.00 -0.81 -1.51 0.00 0.00 177.39 175.07 2hgq n PRO 63 N 0.00 0.00 0.00 3.23 -0.04 -1.25 -5.12 135.00 131.82 2hgq n PRO 63 Ca 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.47 2hgq n PRO 63 Cb 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.50 2hgq n PRO 63 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12