#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgq n ARG 2 N 0.00 0.00 0.33 0.03 0.00 -1.26 -4.92 116.66 110.84 2hgq n ARG 2 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.85 58.01 2hgq n ARG 2 Cb 0.00 0.00 0.83 0.00 0.00 0.00 0.00 32.46 33.29 2hgq n ARG 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2hgq h VAL 3 N 0.47 0.01 -1.80 5.15 2.07 -1.89 -3.35 116.25 116.92 2hgq h VAL 3 Ca 0.00 0.00 -0.48 0.00 0.82 0.00 0.00 66.70 67.04 2hgq h VAL 3 Cb 0.00 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2hgq h VAL 3 CO 0.00 0.00 -0.41 -0.75 0.02 0.00 0.00 177.57 176.43 2hgq s LYS 4 N -4.11 2.80 0.00 1.57 2.47 -1.26 -4.80 119.74 116.40 2hgq s LYS 4 Ca -0.03 -1.25 0.00 0.00 -1.56 0.00 0.00 55.97 53.13 2hgq s LYS 4 Cb 0.09 -2.55 0.00 0.00 -1.46 0.00 0.00 37.83 33.91 2hgq s LYS 4 CO 0.29 0.06 0.00 -1.33 0.16 0.00 0.00 175.35 174.52 2hgq n MET 5 N -1.46 0.32 0.00 4.03 2.81 -1.26 -4.26 117.12 117.30 2hgq n MET 5 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 2hgq n MET 5 Cb 0.60 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.11 2hgq n MET 5 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2hgq n HIS 6 N 0.00 0.00 -0.34 2.03 8.25 -1.26 -4.91 115.22 118.99 2hgq n HIS 6 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 2hgq n HIS 6 Cb 0.00 0.00 0.28 0.00 1.12 0.00 0.00 29.99 31.39 2hgq n HIS 6 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2hgq n VAL 7 N 0.00 0.00 0.00 1.59 0.24 -1.26 -5.06 118.33 113.84 2hgq n VAL 7 Ca 0.00 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 2hgq n VAL 7 Cb 0.00 -0.98 0.00 0.00 -1.47 0.00 0.00 33.84 31.39 2hgq n VAL 7 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2hgq n LYS 8 N -5.38 0.00 -0.22 7.34 4.76 -1.26 -4.89 118.16 118.51 2hgq n LYS 8 Ca 0.08 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.51 2hgq n LYS 8 Cb 0.57 0.00 0.10 0.00 -1.84 0.00 0.00 35.03 33.87 2hgq n LYS 8 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2hgq h LYS 9 N 0.00 0.56 0.00 1.97 1.57 -1.94 -3.44 116.57 115.29 2hgq h LYS 9 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2hgq h LYS 9 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2hgq h LYS 9 CO 0.00 0.37 0.00 0.41 -0.57 0.00 0.00 179.45 179.66 2hgq n GLY 10 N -1.29 0.17 3.14 3.86 0.00 -1.26 -2.26 105.19 107.56 2hgq n GLY 10 Ca 0.09 -0.30 0.04 0.00 0.00 0.00 0.00 46.02 45.84 2hgq n GLY 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hgq s ASP 11 N -1.47 -1.35 0.35 1.61 1.01 -1.26 -3.65 116.67 111.92 2hgq s ASP 11 Ca 0.00 0.02 0.07 0.00 0.71 0.00 0.00 52.55 53.35 2hgq s ASP 11 Cb 0.00 1.82 -0.03 0.00 1.01 0.00 0.00 42.92 45.73 2hgq s ASP 11 CO 0.00 -0.23 0.26 -0.89 0.21 0.00 0.00 175.17 174.52 2hgq s THR 12 N 2.69 0.09 0.40 -1.27 2.01 -1.25 -4.44 115.64 113.88 2hgq s THR 12 Ca 0.14 -2.00 -0.18 0.00 0.31 0.00 0.00 61.69 59.96 2hgq s THR 12 Cb -0.07 -2.46 -0.10 0.00 0.01 0.00 0.00 72.50 69.88 2hgq s THR 12 CO -0.22 0.00 0.87 0.54 -0.69 0.00 0.00 174.62 175.12 2hgq s VAL 13 N -3.38 4.51 -0.34 3.82 0.11 -1.25 -2.77 120.40 121.10 2hgq s VAL 13 Ca 0.37 1.25 -0.07 0.00 -2.93 0.00 0.00 61.98 60.61 2hgq s VAL 13 Cb 0.02 -3.62 0.04 0.00 -1.53 0.00 0.00 36.38 31.29 2hgq s VAL 13 CO 0.26 -0.31 0.12 -0.76 -3.33 0.00 0.00 175.10 171.07 2hgq s LEU 14 N -3.21 4.38 0.00 2.54 1.02 -0.90 0.10 118.68 122.61 2hgq s LEU 14 Ca 0.59 -1.16 0.00 0.00 0.02 0.00 0.00 54.13 53.58 2hgq s LEU 14 Cb -0.10 -1.88 0.00 0.00 0.02 0.00 0.00 46.19 44.24 2hgq s LEU 14 CO 0.17 -0.34 0.00 0.52 0.02 0.00 0.00 176.35 176.72 2hgq n VAL 15 N 4.82 0.00 -1.51 -1.59 0.31 -1.24 -3.44 118.33 115.69 2hgq n VAL 15 Ca -0.12 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.81 2hgq n VAL 15 Cb 0.45 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.24 2hgq n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hgq n ALA 16 N -3.00 0.35 -2.06 3.52 0.00 -1.26 -4.58 120.51 113.48 2hgq n ALA 16 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2hgq n ALA 16 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.08 2hgq n ALA 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2hgq n SER 17 N 11.00 2.71 0.00 0.00 2.88 -1.26 -4.85 113.62 124.10 2hgq n SER 17 Ca 0.63 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 2hgq n SER 17 Cb 0.08 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 2hgq n SER 17 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hgq n GLY 18 N 0.00 0.53 0.67 0.46 0.00 -1.26 -4.98 105.19 100.60 2hgq n GLY 18 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2hgq n GLY 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgq n LYS 19 N 0.00 0.22 0.00 1.61 4.01 -1.26 -4.98 118.16 117.76 2hgq n LYS 19 Ca 0.00 0.09 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 2hgq n LYS 19 Cb 0.00 -0.88 0.00 0.00 -0.51 0.00 0.00 35.03 33.64 2hgq n LYS 19 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2hgq n TYR 20 N -3.65 0.00 -1.56 2.13 0.53 -1.22 -4.83 117.16 108.56 2hgq n TYR 20 Ca -0.15 0.00 -0.14 0.00 -1.02 0.00 0.00 57.90 56.59 2hgq n TYR 20 Cb 0.47 0.00 -0.08 0.00 -1.03 0.00 0.00 39.34 38.70 2hgq n TYR 20 CO 0.00 0.00 0.00 0.36 -1.02 0.00 0.00 176.86 176.20 2hgq n LYS 21 N 0.00 0.49 -0.77 -0.72 2.85 -1.26 -2.12 118.16 116.62 2hgq n LYS 21 Ca 0.00 -0.88 -0.31 0.00 -1.05 0.00 0.00 58.31 56.07 2hgq n LYS 21 Cb 0.00 -3.57 0.16 0.00 -0.65 0.00 0.00 35.03 30.97 2hgq n LYS 21 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2hgq s GLY 22 N 10.09 1.68 0.00 2.58 0.00 -1.25 -4.86 107.32 115.56 2hgq s GLY 22 Ca 0.94 0.53 0.00 0.00 0.00 0.00 0.00 44.72 46.18 2hgq s GLY 22 CO 0.12 0.94 0.00 -0.96 0.00 0.00 0.00 173.10 173.20 2hgq n ARG 23 N -4.15 -2.99 -1.37 2.90 1.85 -1.11 -4.90 116.66 106.88 2hgq n ARG 23 Ca 0.11 0.00 -0.61 0.00 -1.00 0.00 0.00 57.85 56.35 2hgq n ARG 23 Cb 0.52 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.82 2hgq n ARG 23 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 2hgq n VAL 24 N -0.04 0.01 -2.86 8.89 0.24 -1.26 -3.84 118.33 119.46 2hgq n VAL 24 Ca 0.00 -0.01 -0.44 0.00 -2.04 0.00 0.00 64.34 61.85 2hgq n VAL 24 Cb 0.00 -0.55 -0.01 0.00 -1.47 0.00 0.00 33.84 31.81 2hgq n VAL 24 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2hgq s GLY 25 N 5.39 2.06 0.49 7.63 0.00 -0.96 -3.90 107.32 118.04 2hgq s GLY 25 Ca 1.16 -3.02 0.37 0.00 0.00 0.00 0.00 44.72 43.23 2hgq s GLY 25 CO 0.69 2.17 1.64 1.70 0.00 0.00 0.00 173.10 179.30 2hgq h LYS 26 N 7.99 0.06 -1.53 2.90 3.11 -1.09 -3.38 116.57 124.63 2hgq h LYS 26 Ca 0.27 -0.00 0.08 0.00 -2.81 0.00 0.00 60.65 58.19 2hgq h LYS 26 Cb 0.94 -0.01 -0.27 0.00 -1.00 0.00 0.00 32.23 31.88 2hgq h LYS 26 CO 1.24 0.04 0.51 0.08 -2.81 0.00 0.00 179.45 178.51 2hgq s VAL 27 N -5.13 0.00 -0.06 2.00 1.01 -1.25 -4.98 120.40 112.00 2hgq s VAL 27 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 2hgq s VAL 27 Cb 0.28 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.69 2hgq s VAL 27 CO 0.84 0.00 0.07 -1.59 0.00 0.00 0.00 175.10 174.42 2hgq s LYS 28 N 0.27 -0.06 0.38 2.72 0.00 -1.26 -0.83 119.74 120.95 2hgq s LYS 28 Ca 0.03 0.34 -0.06 0.00 0.00 0.00 0.00 55.97 56.28 2hgq s LYS 28 Cb -0.05 -0.65 0.09 0.00 0.00 0.00 0.00 37.83 37.22 2hgq s LYS 28 CO -0.08 -0.37 0.21 0.39 0.00 0.00 0.00 175.35 175.50 2hgq n GLU 29 N 5.30 -2.13 -0.10 1.78 1.02 -0.07 -4.99 120.64 121.45 2hgq n GLU 29 Ca -0.04 -0.35 -0.15 0.00 -0.02 0.00 0.00 57.16 56.60 2hgq n GLU 29 Cb 0.50 -0.50 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 2hgq n GLU 29 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2hgq n VAL 30 N -3.58 1.47 0.00 2.62 0.31 -1.26 -4.78 118.33 113.11 2hgq n VAL 30 Ca 0.03 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2hgq n VAL 30 Cb 0.15 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 30.92 2hgq n VAL 30 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2hgq n LEU 31 N -4.33 0.00 -4.53 7.52 0.00 -1.25 -4.27 117.00 110.14 2hgq n LEU 31 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.33 2hgq n LEU 31 Cb 0.62 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.98 2hgq n LEU 31 CO 0.14 0.00 1.96 -0.81 0.00 0.00 0.00 177.39 178.68 2hgq n PRO 32 N 0.00 1.13 0.18 1.96 -0.04 -1.26 -4.26 135.00 132.71 2hgq n PRO 32 Ca 0.00 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2hgq n PRO 32 Cb 0.00 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 30.55 2hgq n PRO 32 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2hgq n LYS 33 N 8.68 0.02 0.00 0.54 5.02 -1.26 -4.29 118.16 126.87 2hgq n LYS 33 Ca 0.40 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 57.22 2hgq n LYS 33 Cb 0.38 -2.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 2hgq n LYS 33 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2hgq n LYS 34 N -1.79 0.00 -4.05 1.97 5.02 -1.26 -3.63 118.16 114.42 2hgq n LYS 34 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 2hgq n LYS 34 Cb 0.74 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.61 2hgq n LYS 34 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2hgq s TYR 35 N 0.00 0.29 -0.35 2.13 -0.85 -0.38 -0.90 117.35 117.29 2hgq s TYR 35 Ca 0.00 -0.06 -0.06 0.00 -0.52 0.00 0.00 57.07 56.43 2hgq s TYR 35 Cb 0.00 -0.19 0.05 0.00 0.38 0.00 0.00 41.96 42.21 2hgq s TYR 35 CO 0.00 -0.01 0.13 0.00 -1.52 0.00 0.00 175.55 174.15 2hgq s ALA 36 N -0.09 3.07 -1.92 9.51 0.00 -0.01 -0.35 121.76 131.95 2hgq s ALA 36 Ca 0.01 -1.87 0.29 0.00 0.00 0.00 0.00 51.96 50.39 2hgq s ALA 36 Cb -0.01 -2.31 1.69 0.00 0.00 0.00 0.00 23.12 22.49 2hgq s ALA 36 CO -0.00 -1.42 2.05 1.55 0.00 0.00 0.00 175.76 177.94 2hgq n VAL 37 N 4.79 0.01 -3.96 0.00 3.14 -1.26 -0.61 118.33 120.44 2hgq n VAL 37 Ca -0.11 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.00 2hgq n VAL 37 Cb 0.44 -0.55 -0.01 0.00 -1.06 0.00 0.00 33.84 32.66 2hgq n VAL 37 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 2hgq n ILE 38 N -1.04 -2.80 -2.79 1.55 5.41 -1.25 -4.41 119.36 114.03 2hgq n ILE 38 Ca 0.21 -0.36 -0.11 0.00 1.00 0.00 0.00 62.75 63.49 2hgq n ILE 38 Cb 0.12 -2.67 0.02 0.00 -0.71 0.00 0.00 39.64 36.40 2hgq n ILE 38 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2hgq n VAL 39 N -4.41 0.62 0.00 1.39 0.31 -1.26 -4.95 118.33 110.02 2hgq n VAL 39 Ca -0.20 -3.29 0.00 0.00 -0.01 0.00 0.00 64.34 60.84 2hgq n VAL 39 Cb 0.63 0.48 0.00 0.00 -0.91 0.00 0.00 33.84 34.05 2hgq n VAL 39 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2hgq n GLU 40 N -0.00 0.00 0.00 5.55 2.13 -1.26 -4.92 120.64 122.14 2hgq n GLU 40 Ca 0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.94 2hgq n GLU 40 Cb 0.78 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.49 2hgq n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hgq n GLY 41 N 0.00 2.56 0.00 8.31 0.00 -1.02 -4.73 105.19 110.31 2hgq n GLY 41 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2hgq n GLY 41 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hgq n VAL 42 N 0.00 0.00 0.00 1.61 0.24 -1.24 -4.92 118.33 114.02 2hgq n VAL 42 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2hgq n VAL 42 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2hgq n VAL 42 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2hgq n ASN 43 N 0.00 0.94 -1.81 -1.34 4.13 -1.26 -3.80 115.26 112.12 2hgq n ASN 43 Ca 0.00 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.06 2hgq n ASN 43 Cb 0.00 0.13 -0.07 0.00 -1.54 0.00 0.00 39.78 38.31 2hgq n ASN 43 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2hgq n ILE 44 N -0.59 -0.26 -1.15 2.41 5.41 -1.26 -2.41 119.36 121.50 2hgq n ILE 44 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2hgq n ILE 44 Cb 0.06 -2.19 0.00 0.00 -0.71 0.00 0.00 39.64 36.80 2hgq n ILE 44 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 2hgq n VAL 45 N -2.79 0.00 0.00 1.39 0.24 -1.26 -4.49 118.33 111.42 2hgq n VAL 45 Ca -0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 2hgq n VAL 45 Cb 0.67 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 2hgq n VAL 45 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2hgq n LYS 46 N -0.43 0.00 0.00 7.34 5.02 -1.25 -4.61 118.16 124.23 2hgq n LYS 46 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2hgq n LYS 46 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2hgq n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2hgq n LYS 47 N 0.00 0.00 -0.13 1.97 5.02 -1.26 -4.41 118.16 119.35 2hgq n LYS 47 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2hgq n LYS 47 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2hgq n LYS 47 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2hgq n ALA 48 N -2.50 0.00 -1.92 7.82 0.00 -1.26 -5.05 120.51 117.59 2hgq n ALA 48 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 2hgq n ALA 48 Cb 0.00 -0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.54 2hgq n ALA 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2hgq s VAL 49 N -2.00 2.09 -1.90 0.00 -7.23 -1.26 -4.79 120.40 105.31 2hgq s VAL 49 Ca 0.00 -0.10 0.22 0.00 -1.81 0.00 0.00 61.98 60.29 2hgq s VAL 49 Cb 0.00 -2.99 0.65 0.00 0.56 0.00 0.00 36.38 34.60 2hgq s VAL 49 CO 0.00 0.00 1.54 -1.14 -0.31 0.00 0.00 175.10 175.19 2hgq n ARG 50 N -3.24 2.80 0.04 4.82 0.63 -1.26 -3.54 116.66 116.90 2hgq n ARG 50 Ca 0.09 -2.68 -0.13 0.00 -0.92 0.00 0.00 57.85 54.22 2hgq n ARG 50 Cb 0.61 -1.59 -0.09 0.00 0.45 0.00 0.00 32.46 31.84 2hgq n ARG 50 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2hgq h VAL 51 N 4.26 1.15 -4.73 5.15 2.07 -1.92 -3.40 116.25 118.83 2hgq h VAL 51 Ca 0.00 -0.85 -0.26 0.00 0.82 0.00 0.00 66.70 66.42 2hgq h VAL 51 Cb 1.02 1.69 0.04 0.00 -1.52 0.00 0.00 31.29 32.52 2hgq h VAL 51 CO 0.01 0.21 0.04 -0.24 0.02 0.00 0.00 177.57 177.61 2hgq n SER 52 N -4.96 0.84 -4.50 0.57 2.88 -1.25 -4.95 113.62 102.26 2hgq n SER 52 Ca -0.08 -1.68 -0.43 0.00 -1.33 0.00 0.00 58.87 55.35 2hgq n SER 52 Cb 0.22 -0.33 -0.00 0.00 -0.75 0.00 0.00 64.21 63.35 2hgq n SER 52 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2hgq n PRO 53 N -1.94 0.77 -0.06 -1.46 -0.04 -1.26 -4.58 135.00 126.43 2hgq n PRO 53 Ca 0.09 0.28 0.22 0.00 -0.04 0.00 0.00 63.50 64.05 2hgq n PRO 53 Cb 0.33 -1.59 0.44 0.00 -0.04 0.00 0.00 33.50 32.64 2hgq n PRO 53 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2hgq h LYS 54 N 1.17 0.00 -3.41 0.54 1.63 -1.77 0.56 116.57 115.29 2hgq h LYS 54 Ca -0.39 0.00 -0.69 0.00 -0.85 0.00 0.00 60.65 58.72 2hgq h LYS 54 Cb 1.38 0.00 -0.36 0.00 -0.60 0.00 0.00 32.23 32.65 2hgq h LYS 54 CO 0.55 0.00 -0.28 0.71 -3.45 0.00 0.00 179.45 176.98 2hgq s TYR 55 N -4.39 3.61 0.54 1.91 1.51 -1.25 -4.27 117.35 115.01 2hgq s TYR 55 Ca -0.03 -2.91 -0.04 0.00 -1.01 0.00 0.00 57.07 53.09 2hgq s TYR 55 Cb 0.12 -3.17 0.11 0.00 -0.11 0.00 0.00 41.96 38.92 2hgq s TYR 55 CO 0.41 -0.77 0.74 -0.35 -1.11 0.00 0.00 175.55 174.47 2hgq n PRO 56 N 2.86 -0.20 0.00 -1.71 -0.04 0.20 -5.05 135.00 131.06 2hgq n PRO 56 Ca 0.14 -1.67 0.00 0.00 -0.04 0.00 0.00 63.50 61.94 2hgq n PRO 56 Cb 0.37 -0.60 0.00 0.00 -0.04 0.00 0.00 33.50 33.23 2hgq n PRO 56 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2hgq n GLN 57 N -2.44 0.00 0.00 0.54 6.02 -1.26 -4.59 117.38 115.64 2hgq n GLN 57 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 2hgq n GLN 57 Cb 0.39 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.65 2hgq n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2hgq n GLY 58 N 0.00 0.00 0.51 1.08 0.00 -1.01 -4.51 105.19 101.25 2hgq n GLY 58 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2hgq n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgq n GLY 59 N 0.00 -0.26 3.57 -0.02 0.00 -1.26 -4.12 105.19 103.10 2hgq n GLY 59 Ca 0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 2hgq n GLY 59 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2hgq s PHE 60 N -1.86 1.66 -0.22 1.61 5.99 -1.26 -4.28 117.98 119.63 2hgq s PHE 60 Ca -0.09 1.07 -0.15 0.00 0.00 0.00 0.00 56.93 57.75 2hgq s PHE 60 Cb 0.01 -3.81 -0.04 0.00 0.00 0.00 0.00 43.02 39.18 2hgq s PHE 60 CO 0.13 -1.30 0.38 0.42 -0.00 0.00 0.00 175.22 174.85 2hgq s ILE 61 N 12.41 5.20 -0.48 3.12 1.09 -1.25 -4.94 121.20 136.35 2hgq s ILE 61 Ca 0.74 0.64 0.05 0.00 -1.10 0.00 0.00 60.65 60.99 2hgq s ILE 61 Cb -0.05 -3.71 0.22 0.00 -1.06 0.00 0.00 42.46 37.87 2hgq s ILE 61 CO 0.09 0.23 0.87 -0.62 -0.10 0.00 0.00 174.94 175.42 2hgq n GLU 62 N 4.69 0.61 -3.81 2.79 -0.58 -1.26 -2.43 120.64 120.65 2hgq n GLU 62 Ca -0.09 -1.72 -0.37 0.00 -0.42 0.00 0.00 57.16 54.57 2hgq n GLU 62 Cb 0.51 -1.30 -0.13 0.00 -0.57 0.00 0.00 31.44 29.95 2hgq n GLU 62 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2hgq s LYS 63 N 0.73 2.87 -0.33 3.49 1.02 -1.26 -4.56 119.74 121.69 2hgq s LYS 63 Ca 0.30 -1.00 -0.12 0.00 0.02 0.00 0.00 55.97 55.18 2hgq s LYS 63 Cb 0.14 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 34.13 2hgq s LYS 63 CO -0.16 -0.51 0.23 -2.00 -0.92 0.00 0.00 175.35 171.99 2hgq s GLU 64 N 1.42 3.47 0.00 1.68 2.56 0.52 -4.94 118.70 123.42 2hgq s GLU 64 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.97 54.32 2hgq s GLU 64 Cb -0.18 -3.77 0.00 0.00 2.00 0.00 0.00 34.13 32.19 2hgq s GLU 64 CO 0.01 -0.44 0.00 0.00 -0.56 0.00 0.00 175.26 174.27 2hgq n ALA 65 N 5.08 0.00 -0.26 6.30 0.00 -1.26 -1.25 120.51 129.13 2hgq n ALA 65 Ca -0.13 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 2hgq n ALA 65 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2hgq n ALA 65 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2hgq n PRO 66 N 0.00 0.00 -3.21 0.00 -0.02 -1.26 -4.76 135.00 125.76 2hgq n PRO 66 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.22 2hgq n PRO 66 Cb 0.00 -0.20 -0.06 0.00 -0.02 0.00 0.00 33.50 33.21 2hgq n PRO 66 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2hgq n LEU 67 N 0.49 3.72 0.00 2.45 7.94 -1.26 -4.56 117.00 125.78 2hgq n LEU 67 Ca 0.02 -5.48 0.00 0.00 -1.11 0.00 0.00 56.01 49.44 2hgq n LEU 67 Cb 0.09 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 43.55 2hgq n LEU 67 CO 0.11 2.19 0.38 1.57 -1.11 0.00 0.00 177.39 180.54 2hgq n HIS 68 N 0.41 0.00 -2.17 1.96 -0.00 -1.26 -5.03 115.22 109.13 2hgq n HIS 68 Ca 0.30 -0.29 -0.41 0.00 0.46 0.00 0.00 57.72 57.77 2hgq n HIS 68 Cb 0.42 -0.03 -0.03 0.00 -0.12 0.00 0.00 29.99 30.23 2hgq n HIS 68 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2hgq s ALA 69 N -0.59 3.52 -1.21 1.57 0.00 -1.26 -3.61 121.76 120.18 2hgq s ALA 69 Ca 0.00 1.18 -0.05 0.00 0.00 0.00 0.00 51.96 53.09 2hgq s ALA 69 Cb 0.00 -3.48 0.09 0.00 0.00 0.00 0.00 23.12 19.74 2hgq s ALA 69 CO 0.00 -0.57 2.49 0.45 0.00 0.00 0.00 175.76 178.13 2hgq n SER 70 N 1.71 7.86 -1.50 0.00 2.88 0.28 -4.93 113.62 119.93 2hgq n SER 70 Ca 0.03 -3.11 -0.14 0.00 -1.33 0.00 0.00 58.87 54.33 2hgq n SER 70 Cb 0.42 -1.36 0.01 0.00 -0.75 0.00 0.00 64.21 62.53 2hgq n SER 70 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2hgq n LYS 71 N 1.74 0.00 -1.53 -1.46 4.01 -1.26 -3.94 118.16 115.71 2hgq n LYS 71 Ca 0.62 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.42 2hgq n LYS 71 Cb 0.29 -0.37 0.00 0.00 -0.51 0.00 0.00 35.03 34.45 2hgq n LYS 71 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2hgq n VAL 72 N -0.77 -3.76 -3.21 -0.18 0.31 -1.26 -4.36 118.33 105.10 2hgq n VAL 72 Ca 0.01 1.75 -0.01 0.00 -0.01 0.00 0.00 64.34 66.08 2hgq n VAL 72 Cb 0.19 -2.49 -0.01 0.00 -0.91 0.00 0.00 33.84 30.62 2hgq n VAL 72 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2hgq s ARG 73 N -3.81 0.82 0.00 5.55 0.52 -1.25 -4.42 118.95 116.35 2hgq s ARG 73 Ca 0.00 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.87 2hgq s ARG 73 Cb 0.00 0.03 0.00 0.00 0.52 0.00 0.00 34.95 35.50 2hgq s ARG 73 CO 0.00 -1.20 0.00 -0.35 0.02 0.00 0.00 175.30 173.77 2hgq n PRO 74 N 4.35 2.87 0.00 3.54 -0.04 -1.26 -4.63 135.00 139.83 2hgq n PRO 74 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2hgq n PRO 74 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 2hgq n PRO 74 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2hgq n ILE 75 N 0.00 0.00 -4.38 0.52 0.00 -1.26 -4.53 119.36 109.71 2hgq n ILE 75 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 62.75 62.54 2hgq n ILE 75 Cb 0.00 -0.25 -0.16 0.00 0.00 0.00 0.00 39.64 39.23 2hgq n ILE 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2hgq n PRO 77 N 3.57 0.00 -2.69 0.00 -0.04 -1.26 -4.03 135.00 130.56 2hgq n PRO 77 Ca -0.21 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.83 2hgq n PRO 77 Cb 0.53 -0.51 -0.03 0.00 -0.04 0.00 0.00 33.50 33.45 2hgq n PRO 77 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hgq s ALA 78 N -3.84 3.03 -0.06 0.55 0.00 -1.26 -3.95 121.76 116.22 2hgq s ALA 78 Ca 0.00 -1.12 -0.15 0.00 0.00 0.00 0.00 51.96 50.68 2hgq s ALA 78 Cb 0.00 -3.95 0.03 0.00 0.00 0.00 0.00 23.12 19.20 2hgq s ALA 78 CO 0.00 -2.67 0.36 0.00 0.00 0.00 0.00 175.76 173.45 2hgq n GLY 80 N 1.81 -1.71 3.25 0.00 0.00 -1.26 -4.79 105.19 102.48 2hgq n GLY 80 Ca -0.18 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 2hgq n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgq s LYS 81 N -3.89 3.12 0.00 1.61 1.02 -1.26 -4.64 119.74 115.70 2hgq s LYS 81 Ca 0.24 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.39 2hgq s LYS 81 Cb -0.01 -2.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.92 2hgq s LYS 81 CO 0.17 0.17 0.00 -0.35 -0.92 0.00 0.00 175.35 174.42 2hgq n PRO 82 N 3.58 0.00 0.00 -1.68 -0.04 -1.26 -4.94 135.00 130.66 2hgq n PRO 82 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2hgq n PRO 82 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 2hgq n PRO 82 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2hgq n THR 83 N 0.00 0.00 -3.77 0.52 -1.04 -1.26 -4.99 114.28 103.74 2hgq n THR 83 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 2hgq n THR 83 Cb 0.00 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2hgq n THR 83 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hgq s ARG 84 N 0.03 1.08 0.00 -2.82 3.03 -1.26 -3.40 118.95 115.60 2hgq s ARG 84 Ca 0.00 -0.63 0.00 0.00 2.03 0.00 0.00 55.73 57.13 2hgq s ARG 84 Cb 0.00 0.35 0.00 0.00 -1.03 0.00 0.00 34.95 34.27 2hgq s ARG 84 CO 0.00 -0.50 0.11 0.28 -1.13 0.00 0.00 175.30 174.07 2hgq n VAL 85 N -0.54 0.00 0.00 4.99 0.31 -1.26 -5.06 118.33 116.77 2hgq n VAL 85 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2hgq n VAL 85 Cb 0.61 0.30 0.00 0.00 -0.91 0.00 0.00 33.84 33.84 2hgq n VAL 85 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2hgq n ARG 86 N 0.00 0.00 0.00 5.55 0.63 -1.25 -4.75 116.66 116.84 2hgq n ARG 86 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2hgq n ARG 86 Cb 0.46 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.37 2hgq n ARG 86 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2hgq n LYS 87 N 0.00 0.00 -4.31 -0.14 3.00 -1.26 -4.70 118.16 110.74 2hgq n LYS 87 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.05 2hgq n LYS 87 Cb 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 35.03 34.93 2hgq n LYS 87 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2hgq s LYS 88 N 0.00 2.04 -0.25 1.64 2.20 -1.26 -5.05 119.74 119.05 2hgq s LYS 88 Ca 0.00 -1.34 -0.37 0.00 -0.36 0.00 0.00 55.97 53.89 2hgq s LYS 88 Cb 0.00 -2.11 -0.13 0.00 -1.51 0.00 0.00 37.83 34.07 2hgq s LYS 88 CO 0.00 0.41 1.92 0.34 -0.36 0.00 0.00 175.35 177.66 2hgq n PHE 89 N -0.15 2.00 -2.90 4.03 7.35 -1.26 -1.95 117.46 124.58 2hgq n PHE 89 Ca -0.10 0.31 -0.10 0.00 -0.76 0.00 0.00 57.45 56.80 2hgq n PHE 89 Cb 0.56 -2.54 0.01 0.00 0.35 0.00 0.00 39.48 37.87 2hgq n PHE 89 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2hgq n LEU 90 N 7.06 -7.56 -3.75 -2.13 4.32 -1.26 -5.02 117.00 108.66 2hgq n LEU 90 Ca 0.30 0.51 -0.29 0.00 -0.02 0.00 0.00 56.01 56.50 2hgq n LEU 90 Cb 0.20 -3.27 -0.15 0.00 -1.62 0.00 0.00 43.42 38.58 2hgq n LEU 90 CO 0.78 -2.21 -0.34 -0.70 -1.22 0.00 0.00 177.39 173.69 2hgq s GLU 91 N -2.57 0.76 -0.03 3.23 2.56 -0.82 -4.99 118.70 116.84 2hgq s GLU 91 Ca 0.25 -0.95 -0.01 0.00 0.00 0.00 0.00 54.97 54.27 2hgq s GLU 91 Cb -0.07 -2.04 -0.00 0.00 2.00 0.00 0.00 34.13 34.02 2hgq s GLU 91 CO 0.78 -0.90 -0.01 -0.91 -0.56 0.00 0.00 175.26 173.65 2hgq h ASN 92 N 8.11 0.00 -6.84 -1.70 2.35 -1.90 -3.32 115.58 112.28 2hgq h ASN 92 Ca -0.14 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.06 2hgq h ASN 92 Cb 1.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.40 2hgq h ASN 92 CO 0.44 0.13 -1.04 0.61 -1.65 0.00 0.00 177.43 175.93 2hgq n GLY 93 N 1.88 -1.04 1.16 2.83 0.00 -1.26 -4.56 105.19 104.20 2hgq n GLY 93 Ca -0.00 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2hgq n GLY 93 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgq n LYS 94 N -4.02 0.88 -0.85 1.61 5.02 -1.22 -4.46 118.16 115.13 2hgq n LYS 94 Ca -0.20 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.74 2hgq n LYS 94 Cb 0.62 -1.06 0.10 0.00 -0.02 0.00 0.00 35.03 34.67 2hgq n LYS 94 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2hgq n LYS 95 N 0.84 -0.65 -3.60 1.97 4.81 -1.25 -4.66 118.16 115.61 2hgq n LYS 95 Ca 0.00 -0.18 -0.39 0.00 -0.87 0.00 0.00 58.31 56.88 2hgq n LYS 95 Cb 0.44 -1.36 -0.11 0.00 0.02 0.00 0.00 35.03 34.02 2hgq n LYS 95 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2hgq s ILE 96 N -2.13 5.06 -0.13 3.15 1.09 -0.11 -4.18 121.20 123.95 2hgq s ILE 96 Ca 0.46 -0.08 -0.02 0.00 -1.10 0.00 0.00 60.65 59.91 2hgq s ILE 96 Cb -0.05 -3.49 0.04 0.00 -1.06 0.00 0.00 42.46 37.91 2hgq s ILE 96 CO 0.68 0.16 0.02 -0.13 -0.10 0.00 0.00 174.94 175.57 2hgq s ARG 97 N 1.71 0.61 -0.29 2.79 0.52 -1.26 -1.14 118.95 121.89 2hgq s ARG 97 Ca 0.06 -0.12 -0.23 0.00 -0.52 0.00 0.00 55.73 54.92 2hgq s ARG 97 Cb -0.16 -1.49 0.14 0.00 0.52 0.00 0.00 34.95 33.95 2hgq s ARG 97 CO 0.09 -0.46 1.08 0.08 0.02 0.00 0.00 175.30 176.11 2hgq s VAL 98 N 1.93 0.00 0.00 3.52 1.01 -1.26 -4.22 120.40 121.38 2hgq s VAL 98 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.00 2hgq s VAL 98 Cb -0.14 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.24 2hgq s VAL 98 CO -0.07 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.03 2hgq n ALA 100 N 9.84 -3.36 -2.96 0.00 0.00 -1.26 -5.01 120.51 117.76 2hgq n ALA 100 Ca 0.00 -1.24 -0.11 0.00 0.00 0.00 0.00 53.44 52.09 2hgq n ALA 100 Cb 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 19.45 19.26 2hgq n ALA 100 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2hgq s LYS 101 N -4.79 0.64 -0.23 0.00 3.01 -1.26 -4.72 119.74 112.40 2hgq s LYS 101 Ca 0.54 -0.53 -0.17 0.00 -1.01 0.00 0.00 55.97 54.80 2hgq s LYS 101 Cb -0.07 0.27 0.06 0.00 -1.01 0.00 0.00 37.83 37.08 2hgq s LYS 101 CO 0.43 -0.18 0.58 0.00 0.51 0.00 0.00 175.35 176.69 2hgq n GLY 103 N 3.44 -0.22 2.72 0.00 0.00 -1.26 -0.93 105.19 108.93 2hgq n GLY 103 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 2hgq n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgq n GLY 104 N 0.08 0.07 3.49 -0.02 0.00 -1.26 -4.72 105.19 102.83 2hgq n GLY 104 Ca 0.00 -0.14 -0.52 0.00 0.00 0.00 0.00 46.02 45.36 2hgq n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgq n ALA 105 N -3.92 -2.60 0.00 4.61 0.00 -1.26 -4.67 120.51 112.66 2hgq n ALA 105 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2hgq n ALA 105 Cb 0.54 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.21 2hgq n ALA 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2hgq n LEU 106 N 1.80 0.00 0.00 0.00 4.77 -1.26 -4.54 117.00 117.77 2hgq n LEU 106 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2hgq n LEU 106 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2hgq n LEU 106 CO 0.59 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 177.12 2hgq n ASP 107 N -0.72 0.00 0.00 -1.43 8.00 -1.26 -4.87 116.55 116.27 2hgq n ASP 107 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2hgq n ASP 107 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2hgq n ASP 107 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2hgq n THR 108 N 0.00 0.00 -3.64 -3.53 -1.04 -1.26 -3.93 114.28 100.88 2hgq n THR 108 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 2hgq n THR 108 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 2hgq n THR 108 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2hgq s GLU 109 N -1.53 0.55 0.00 -2.82 2.02 -1.26 -5.21 118.70 110.45 2hgq s GLU 109 Ca 0.00 0.80 0.00 0.00 0.02 0.00 0.00 54.97 55.79 2hgq s GLU 109 Cb 0.00 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.42 2hgq s GLU 109 CO 0.00 -0.09 0.00 -1.91 0.02 0.00 0.00 175.26 173.28