#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qhq n LEU 3 N 0.00 0.50 0.00 0.00 4.32 -1.26 -5.08 117.00 115.48 2qhq n LEU 3 Ca 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 2qhq n LEU 3 Cb 0.00 0.07 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 2qhq n LEU 3 CO 0.00 0.06 0.00 0.61 -1.22 0.00 0.00 177.39 176.84 2qhq n GLY 4 N 1.34 -1.88 3.72 -0.72 0.00 -1.26 -5.12 105.19 101.28 2qhq n GLY 4 Ca -0.08 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 2qhq n GLY 4 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qhq s PHE 5 N -1.86 3.32 -0.08 1.61 5.36 -1.26 -5.27 117.98 119.81 2qhq s PHE 5 Ca 0.00 1.15 -0.05 0.00 -0.96 0.00 0.00 56.93 57.07 2qhq s PHE 5 Cb 0.00 -3.57 0.02 0.00 -0.34 0.00 0.00 43.02 39.13 2qhq s PHE 5 CO 0.00 -1.85 0.10 0.41 -1.46 0.00 0.00 175.22 172.42 2qhq n GLY 6 N 3.07 -3.86 3.64 13.12 0.00 -1.26 -5.21 105.19 114.69 2qhq n GLY 6 Ca 0.09 0.47 -0.06 0.00 0.00 0.00 0.00 46.02 46.52 2qhq n GLY 6 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qhq s GLU 10 N -0.86 0.68 0.08 1.61 2.12 -1.26 -5.20 118.70 115.87 2qhq s GLU 10 Ca -0.11 1.28 -0.21 0.00 0.36 0.00 0.00 54.97 56.28 2qhq s GLU 10 Cb 0.01 0.29 -0.11 0.00 0.26 0.00 0.00 34.13 34.58 2qhq s GLU 10 CO 0.31 -0.16 1.63 1.25 -0.54 0.00 0.00 175.26 177.75 2qhq h LEU 11 N 7.21 0.17 -0.40 2.70 5.85 -2.00 -2.96 115.31 125.87 2qhq h LEU 11 Ca -0.27 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.31 2qhq h LEU 11 Cb 1.20 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 2qhq h LEU 11 CO 0.15 0.27 0.23 -0.61 -0.34 0.00 0.00 178.44 178.14 2qhq h GLN 12 N 0.06 0.46 -0.88 1.25 5.75 -2.03 -1.69 115.11 118.03 2qhq h GLN 12 Ca 0.04 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 2qhq h GLN 12 Cb 0.15 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 2qhq h GLN 12 CO -0.00 0.30 0.46 0.37 -2.65 0.00 0.00 178.83 177.31 2qhq h GLN 13 N 0.47 1.23 -0.26 1.69 5.75 -1.99 0.10 115.11 122.10 2qhq h GLN 13 Ca 0.16 -0.16 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 2qhq h GLN 13 Cb 0.01 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.30 2qhq h GLN 13 CO -0.08 0.92 0.11 0.35 -2.65 0.00 0.00 178.83 177.49 2qhq h PHE 14 N 1.23 0.21 -0.71 3.99 3.57 -1.22 0.41 116.94 124.43 2qhq h PHE 14 Ca 0.31 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 2qhq h PHE 14 Cb 0.06 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2qhq h PHE 14 CO 0.01 0.11 0.22 -0.07 -2.23 0.00 0.00 178.31 176.35 2qhq h LEU 15 N 0.25 1.02 -0.55 0.59 3.38 -0.87 0.72 115.31 119.86 2qhq h LEU 15 Ca 0.11 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2qhq h LEU 15 Cb 0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2qhq h LEU 15 CO -0.09 0.95 0.13 0.44 0.09 0.00 0.00 178.44 179.96 2qhq h ASP 16 N 1.05 0.83 -0.34 -0.43 3.32 -0.67 -1.33 116.42 118.85 2qhq h ASP 16 Ca 0.23 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2qhq h ASP 16 Cb 0.29 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2qhq h ASP 16 CO -0.01 0.85 0.07 0.00 -1.72 0.00 0.00 179.24 178.44 2qhq h ALA 17 N 1.01 0.45 -0.87 3.45 0.00 -0.52 -1.85 119.26 120.92 2qhq h ALA 17 Ca 0.17 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2qhq h ALA 17 Cb 0.35 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2qhq h ALA 17 CO 0.00 0.13 0.57 1.25 0.00 0.00 0.00 179.25 181.20 2qhq h LEU 18 N 0.39 0.89 -0.77 0.00 5.85 -0.71 -0.18 115.31 120.78 2qhq h LEU 18 Ca 0.10 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.70 2qhq h LEU 18 Cb 0.32 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2qhq h LEU 18 CO 0.00 0.59 -0.47 0.00 -0.34 0.00 0.00 178.44 178.23 2qhq h ALA 19 N 1.51 0.95 0.00 1.25 0.00 -0.97 -2.91 119.26 119.09 2qhq h ALA 19 Ca 0.36 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2qhq h ALA 19 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2qhq h ALA 19 CO -0.12 0.65 -0.47 1.03 0.00 0.00 0.00 179.25 180.33 2qhq h SER 20 N 0.27 0.00 -2.13 0.00 0.87 -0.76 -3.43 113.55 108.38 2qhq h SER 20 Ca 0.02 -0.58 -0.57 0.00 -1.23 0.00 0.00 61.79 59.42 2qhq h SER 20 Cb 0.93 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 62.50 2qhq h SER 20 CO 0.08 1.06 -0.96 -1.20 -0.53 0.00 0.00 176.83 175.28 2qhq n SER 21 N -4.58 0.97 0.13 6.23 7.64 -0.13 -4.97 113.62 118.91 2qhq n SER 21 Ca -0.16 -2.83 0.15 0.00 1.01 0.00 0.00 58.87 57.04 2qhq n SER 21 Cb 0.45 -0.64 0.68 0.00 -1.01 0.00 0.00 64.21 63.70 2qhq n SER 21 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2qhq h PRO 22 N 4.29 0.00 -2.02 1.43 0.13 -1.66 -3.30 132.00 130.87 2qhq h PRO 22 Ca 0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2qhq h PRO 22 Cb 0.83 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 2qhq h PRO 22 CO 0.54 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.46 2qhq n GLU 23 N -4.40 0.50 -1.71 0.86 0.00 -1.26 -4.85 120.64 109.78 2qhq n GLU 23 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.18 2qhq n GLU 23 Cb 0.35 -1.27 0.00 0.00 0.00 0.00 0.00 31.44 30.52 2qhq n GLU 23 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2qhq n ILE 25 N 1.79 -3.14 -3.96 3.84 2.08 -1.25 -5.07 119.36 113.67 2qhq n ILE 25 Ca 0.01 1.29 -0.28 0.00 0.56 0.00 0.00 62.75 64.33 2qhq n ILE 25 Cb 0.25 -1.76 -0.04 0.00 -0.75 0.00 0.00 39.64 37.34 2qhq n ILE 25 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2qhq s GLU 26 N -1.33 3.36 0.25 0.38 0.41 -1.26 -4.15 118.70 116.37 2qhq s GLU 26 Ca 0.00 -0.58 -0.03 0.00 -0.41 0.00 0.00 54.97 53.95 2qhq s GLU 26 Cb 0.00 -2.95 0.40 0.00 -1.78 0.00 0.00 34.13 29.81 2qhq s GLU 26 CO 0.00 0.55 1.84 0.35 -0.49 0.00 0.00 175.26 177.51 2qhq h PHE 27 N 2.55 1.02 0.00 1.61 3.57 -1.75 -1.51 116.94 122.41 2qhq h PHE 27 Ca -0.47 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.00 2qhq h PHE 27 Cb 1.18 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 2qhq h PHE 27 CO 0.57 0.47 -0.28 0.93 -2.23 0.00 0.00 178.31 177.76 2qhq h GLU 28 N 0.96 0.00 -0.04 1.11 3.07 -1.93 -2.75 114.58 114.99 2qhq h GLU 28 Ca 0.41 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.26 2qhq h GLU 28 Cb 0.28 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2qhq h GLU 28 CO -0.21 0.28 -0.02 1.15 -1.40 0.00 0.00 179.01 178.81 2qhq h THR 29 N 0.00 1.33 0.00 1.13 2.02 -1.69 -1.80 112.91 113.90 2qhq h THR 29 Ca -0.00 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.15 2qhq h THR 29 Cb 0.53 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 2qhq h THR 29 CO 0.04 0.28 0.00 0.41 0.37 0.00 0.00 175.52 176.61 2qhq n THR 30 N -4.82 0.00 0.00 3.16 -1.04 -0.87 -1.60 114.28 109.11 2qhq n THR 30 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 2qhq n THR 30 Cb 0.24 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 2qhq n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qhq n ALA 32 N 0.36 0.00 -0.16 2.41 0.00 -0.68 -0.90 120.51 121.55 2qhq n ALA 32 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2qhq n ALA 32 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2qhq n ALA 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qhq h VAL 33 N 0.00 1.14 -0.31 0.00 2.07 -1.57 -0.73 116.25 116.85 2qhq h VAL 33 Ca 0.00 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 2qhq h VAL 33 Cb 0.00 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2qhq h VAL 33 CO 0.00 0.14 0.04 0.40 0.02 0.00 0.00 177.57 178.16 2qhq h ILE 34 N 0.63 1.24 -0.62 4.57 2.04 -1.28 -1.96 117.51 122.12 2qhq h ILE 34 Ca 0.17 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 2qhq h ILE 34 Cb -0.03 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2qhq h ILE 34 CO -0.03 0.28 0.36 -0.33 0.00 0.00 0.00 178.15 178.43 2qhq h GLU 35 N 0.34 0.85 0.00 2.37 5.08 -1.79 -1.41 114.58 120.02 2qhq h GLU 35 Ca 0.09 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2qhq h GLU 35 Cb 0.37 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2qhq h GLU 35 CO 0.01 0.63 -0.49 -0.44 -1.00 0.00 0.00 179.01 177.71 2qhq h ASP 36 N 0.84 0.00 -0.00 1.42 3.32 -1.06 -3.35 116.42 117.59 2qhq h ASP 36 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2qhq h ASP 36 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2qhq h ASP 36 CO -0.04 0.49 -0.50 0.59 -1.72 0.00 0.00 179.24 178.07 2qhq n ASN 37 N -3.81 0.73 -4.07 6.45 3.02 -0.75 -5.01 115.26 111.82 2qhq n ASN 37 Ca -0.01 -0.86 -0.11 0.00 -0.03 0.00 0.00 54.58 53.57 2qhq n ASN 37 Cb 0.53 0.89 -0.11 0.00 -0.61 0.00 0.00 39.78 40.49 2qhq n ASN 37 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2qhq s TYR 38 N -2.01 0.61 -0.18 3.10 2.02 -0.55 -4.42 117.35 115.91 2qhq s TYR 38 Ca 0.06 -0.67 -0.14 0.00 -0.37 0.00 0.00 57.07 55.95 2qhq s TYR 38 Cb 0.09 -0.38 -0.05 0.00 -0.40 0.00 0.00 41.96 41.23 2qhq s TYR 38 CO 0.45 -0.16 0.28 -0.51 -1.57 0.00 0.00 175.55 174.05 2qhq s ASP 39 N -2.04 6.39 -0.14 2.29 1.01 0.30 -4.69 116.67 119.80 2qhq s ASP 39 Ca -0.04 0.46 -0.07 0.00 0.71 0.00 0.00 52.55 53.60 2qhq s ASP 39 Cb -0.04 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 2qhq s ASP 39 CO -0.02 0.08 0.10 0.12 0.21 0.00 0.00 175.17 175.66 2qhq s PHE 40 N 0.62 3.43 -0.02 4.23 5.36 -1.26 -1.90 117.98 128.44 2qhq s PHE 40 Ca 0.15 0.36 0.03 0.00 -0.96 0.00 0.00 56.93 56.52 2qhq s PHE 40 Cb -0.13 -1.97 -0.01 0.00 -0.34 0.00 0.00 43.02 40.57 2qhq s PHE 40 CO 0.04 0.52 -0.11 0.95 -1.46 0.00 0.00 175.22 175.15 2qhq s THR 41 N -0.54 0.92 0.66 0.12 -4.23 0.62 -5.01 115.64 108.17 2qhq s THR 41 Ca 0.11 -0.47 -0.17 0.00 -1.18 0.00 0.00 61.69 59.98 2qhq s THR 41 Cb -0.12 -0.78 0.00 0.00 1.34 0.00 0.00 72.50 72.94 2qhq s THR 41 CO 0.02 0.27 1.23 -2.16 -0.54 0.00 0.00 174.62 173.44 2qhq s PRO 42 N -0.13 2.53 -0.17 3.99 0.04 -1.26 -4.26 135.00 135.74 2qhq s PRO 42 Ca 0.02 1.86 -0.14 0.00 0.04 0.00 0.00 61.00 62.78 2qhq s PRO 42 Cb -0.06 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.66 2qhq s PRO 42 CO -0.00 -1.56 0.44 0.00 0.04 0.00 0.00 177.00 175.92 2qhq s ALA 43 N -1.70 -1.11 0.34 8.56 0.00 -1.26 -4.87 121.76 121.71 2qhq s ALA 43 Ca 0.77 1.38 -0.27 0.00 0.00 0.00 0.00 51.96 53.84 2qhq s ALA 43 Cb -0.32 -0.82 -0.09 0.00 0.00 0.00 0.00 23.12 21.89 2qhq s ALA 43 CO 0.40 -0.23 1.14 0.00 0.00 0.00 0.00 175.76 177.06 2qhq s ALA 44 N 0.65 3.29 -0.08 0.00 0.00 -1.26 -4.18 121.76 120.18 2qhq s ALA 44 Ca -0.03 0.93 -0.16 0.00 0.00 0.00 0.00 51.96 52.69 2qhq s ALA 44 Cb -0.05 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.76 2qhq s ALA 44 CO -0.04 -0.33 0.40 -0.59 0.00 0.00 0.00 175.76 175.19 2qhq s PHE 45 N -1.31 -0.36 0.14 0.00 -0.12 -0.25 -0.83 117.98 115.25 2qhq s PHE 45 Ca 0.51 0.74 -0.07 0.00 -0.05 0.00 0.00 56.93 58.06 2qhq s PHE 45 Cb -0.31 0.16 -0.06 0.00 -0.63 0.00 0.00 43.02 42.18 2qhq s PHE 45 CO 0.40 -0.34 0.41 0.99 -0.05 0.00 0.00 175.22 176.62 2qhq s THR 46 N -0.63 5.11 -0.42 -4.49 2.01 0.19 -0.69 115.64 116.73 2qhq s THR 46 Ca -0.07 0.19 0.04 0.00 0.31 0.00 0.00 61.69 62.15 2qhq s THR 46 Cb -0.04 -3.63 0.17 0.00 0.01 0.00 0.00 72.50 69.02 2qhq s THR 46 CO 0.03 0.07 0.44 0.21 -0.69 0.00 0.00 174.62 174.68 2qhq s ASN 47 N -2.29 0.72 1.96 3.53 2.47 0.71 -1.60 114.94 120.44 2qhq s ASN 47 Ca 0.40 -2.13 0.00 0.00 0.42 0.00 0.00 52.86 51.55 2qhq s ASN 47 Cb -0.12 0.49 0.00 0.00 -1.45 0.00 0.00 41.25 40.17 2qhq s ASN 47 CO 0.23 -0.18 0.00 0.61 -3.72 0.00 0.00 177.10 174.03 2qhq n GLY 48 N 3.49 3.05 0.90 1.21 0.00 -0.04 -1.67 105.19 112.13 2qhq n GLY 48 Ca 0.19 0.27 0.08 0.00 0.00 0.00 0.00 46.02 46.56 2qhq n GLY 48 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qhq n ASN 49 N 10.15 2.60 -4.41 1.61 5.03 -1.26 -4.85 115.26 124.13 2qhq n ASN 49 Ca 0.00 -1.98 -0.29 0.00 0.87 0.00 0.00 54.58 53.18 2qhq n ASN 49 Cb 0.00 -0.31 -0.13 0.00 -1.02 0.00 0.00 39.78 38.32 2qhq n ASN 49 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 2qhq s THR 50 N -1.38 2.39 -0.02 3.41 -1.32 -0.67 -5.14 115.64 112.91 2qhq s THR 50 Ca 0.33 -1.70 0.03 0.00 -1.21 0.00 0.00 61.69 59.14 2qhq s THR 50 Cb 0.17 -2.07 -0.00 0.00 -1.51 0.00 0.00 72.50 69.10 2qhq s THR 50 CO 0.23 0.09 -0.11 -1.58 -2.21 0.00 0.00 174.62 171.04 2qhq s GLN 51 N -2.07 1.09 -0.14 7.08 -0.44 -1.26 -0.21 119.66 123.71 2qhq s GLN 51 Ca 0.15 -0.40 0.02 0.00 -2.50 0.00 0.00 55.36 52.62 2qhq s GLN 51 Cb -0.10 -1.02 0.01 0.00 -1.64 0.00 0.00 33.01 30.26 2qhq s GLN 51 CO 0.07 0.19 -0.19 -0.80 0.50 0.00 0.00 175.29 175.06 2qhq s ASN 52 N -0.02 2.89 0.86 6.67 0.01 0.13 -5.01 114.94 120.48 2qhq s ASN 52 Ca -0.00 -0.55 -0.11 0.00 -0.71 0.00 0.00 52.86 51.48 2qhq s ASN 52 Cb -0.07 -1.33 0.10 0.00 0.41 0.00 0.00 41.25 40.36 2qhq s ASN 52 CO 0.00 0.03 1.09 -1.81 -1.51 0.00 0.00 177.10 174.91 2qhq s ASP 53 N 1.04 3.81 0.32 -1.22 1.01 -1.26 -1.10 116.67 119.27 2qhq s ASP 53 Ca -0.03 1.61 -0.29 0.00 0.71 0.00 0.00 52.55 54.56 2qhq s ASP 53 Cb -0.14 -2.30 -0.12 0.00 1.01 0.00 0.00 42.92 41.36 2qhq s ASP 53 CO -0.05 -2.45 1.34 0.00 0.21 0.00 0.00 175.17 174.22 2qhq n ALA 54 N -3.77 1.37 -0.94 5.23 0.00 -1.26 -1.64 120.51 119.51 2qhq n ALA 54 Ca 0.08 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2qhq n ALA 54 Cb 0.54 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.72 2qhq n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qhq n ASN 55 N 1.11 -2.88 -4.57 0.00 3.02 -1.26 -4.92 115.26 105.75 2qhq n ASN 55 Ca 0.06 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.26 2qhq n ASN 55 Cb 0.35 -1.48 -0.11 0.00 -0.61 0.00 0.00 39.78 37.94 2qhq n ASN 55 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2qhq s GLU 56 N -0.67 3.87 -1.21 3.52 2.02 -0.65 -4.59 118.70 120.99 2qhq s GLU 56 Ca 0.00 -0.39 -0.02 0.00 0.02 0.00 0.00 54.97 54.59 2qhq s GLU 56 Cb 0.00 -3.26 -0.01 0.00 0.10 0.00 0.00 34.13 30.96 2qhq s GLU 56 CO 0.00 0.11 0.89 0.09 0.02 0.00 0.00 175.26 176.37 2qhq n ASN 57 N 4.04 -2.55 -0.02 -0.19 3.02 -1.26 -4.61 115.26 113.67 2qhq n ASN 57 Ca -0.16 -0.71 0.08 0.00 -0.03 0.00 0.00 54.58 53.76 2qhq n ASN 57 Cb 0.52 -4.75 0.48 0.00 -0.61 0.00 0.00 39.78 35.42 2qhq n ASN 57 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2qhq h ASN 58 N -1.77 0.38 -0.25 6.41 2.35 -1.94 -1.16 115.58 119.60 2qhq h ASN 58 Ca -0.60 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.14 2qhq h ASN 58 Cb 1.34 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 2qhq h ASN 58 CO 0.51 0.25 0.13 1.23 -1.65 0.00 0.00 177.43 177.90 2qhq h GLY 59 N 0.44 0.38 1.01 2.83 0.00 -1.99 -2.82 103.07 102.92 2qhq h GLY 59 Ca 0.20 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 2qhq h GLY 59 CO -0.05 0.17 0.14 1.76 0.00 0.00 0.00 176.54 178.56 2qhq h SER 60 N 0.28 0.88 0.00 0.19 0.02 -1.82 -2.29 113.55 110.80 2qhq h SER 60 Ca 0.09 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2qhq h SER 60 Cb 0.10 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2qhq h SER 60 CO -0.01 0.88 0.00 0.00 -1.14 0.00 0.00 176.83 176.56 2qhq n ILE 63 N 0.39 0.00 -0.14 0.00 5.41 -0.86 -1.33 119.36 122.83 2qhq n ILE 63 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.70 2qhq n ILE 63 Cb 0.00 0.00 0.13 0.00 -0.71 0.00 0.00 39.64 39.06 2qhq n ILE 63 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 2qhq h PHE 64 N 0.00 0.92 -0.80 1.39 0.04 -1.46 0.13 116.94 117.16 2qhq h PHE 64 Ca 0.00 -0.13 -0.04 0.00 2.80 0.00 0.00 57.97 60.60 2qhq h PHE 64 Cb 0.00 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 37.86 2qhq h PHE 64 CO 0.00 0.83 0.33 0.00 -0.60 0.00 0.00 178.31 178.87 2qhq h ALA 65 N 1.21 1.07 -0.57 2.45 0.00 -1.45 -0.98 119.26 121.00 2qhq h ALA 65 Ca 0.16 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2qhq h ALA 65 Cb 0.46 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2qhq h ALA 65 CO 0.02 0.66 0.15 0.35 0.00 0.00 0.00 179.25 180.43 2qhq h PHE 66 N 1.16 0.96 -0.53 0.00 3.57 -1.73 -1.12 116.94 119.24 2qhq h PHE 66 Ca 0.27 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 2qhq h PHE 66 Cb 0.20 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 2qhq h PHE 66 CO 0.02 0.81 0.15 0.78 -2.23 0.00 0.00 178.31 177.84 2qhq h GLY 67 N 0.82 0.86 0.67 2.40 0.00 -0.40 -1.61 103.07 105.81 2qhq h GLY 67 Ca 0.18 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 2qhq h GLY 67 CO 0.00 0.45 -0.07 1.41 0.00 0.00 0.00 176.54 178.33 2qhq h LEU 68 N 0.78 0.22 -1.37 3.11 3.38 -0.86 0.21 115.31 120.78 2qhq h LEU 68 Ca 0.18 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2qhq h LEU 68 Cb 0.26 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2qhq h LEU 68 CO -0.01 0.63 0.26 -0.07 0.09 0.00 0.00 178.44 179.35 2qhq h LEU 69 N -0.18 0.61 -2.75 1.67 3.38 -1.04 -2.92 115.31 114.08 2qhq h LEU 69 Ca 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2qhq h LEU 69 Cb 0.56 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2qhq h LEU 69 CO 0.02 0.51 0.00 0.59 0.09 0.00 0.00 178.44 179.65 2qhq n ASN 70 N -4.40 3.82 -3.72 -0.43 3.02 -0.62 -4.97 115.26 107.96 2qhq n ASN 70 Ca 0.04 -2.00 -0.26 0.00 -0.03 0.00 0.00 54.58 52.33 2qhq n ASN 70 Cb 0.11 -0.45 0.06 0.00 -0.61 0.00 0.00 39.78 38.88 2qhq n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qhq n ALA 71 N 1.51 -1.39 -1.94 5.41 0.00 -0.55 -4.94 120.51 118.61 2qhq n ALA 71 Ca 0.23 0.26 -0.40 0.00 0.00 0.00 0.00 53.44 53.52 2qhq n ALA 71 Cb 0.60 -4.68 -0.05 0.00 0.00 0.00 0.00 19.45 15.31 2qhq n ALA 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qhq s LEU 72 N -7.20 4.58 0.00 0.00 1.43 -0.05 -5.05 118.68 112.40 2qhq s LEU 72 Ca 0.54 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 55.58 2qhq s LEU 72 Cb -0.26 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.36 2qhq s LEU 72 CO 0.78 0.03 0.00 -0.90 0.23 0.00 0.00 176.35 176.49 2qhq n ASP 73 N 1.94 0.00 0.00 2.29 5.68 -1.26 -4.74 116.55 120.46 2qhq n ASP 73 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2qhq n ASP 73 Cb 0.47 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 2qhq n ASP 73 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2qhq n GLU 75 N 0.00 0.00 -0.13 0.11 2.13 -1.26 -1.17 120.64 120.32 2qhq n GLU 75 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 2qhq n GLU 75 Cb 0.00 0.00 0.11 0.00 0.27 0.00 0.00 31.44 31.82 2qhq n GLU 75 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qhq h ALA 76 N 0.00 0.98 -0.29 4.31 0.00 -1.94 -1.30 119.26 121.02 2qhq h ALA 76 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 2qhq h ALA 76 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2qhq h ALA 76 CO 0.00 0.61 -0.03 1.15 0.00 0.00 0.00 179.25 180.99 2qhq h THR 77 N 0.79 1.27 -0.90 0.00 2.02 -1.43 -2.47 112.91 112.18 2qhq h THR 77 Ca 0.14 -1.00 0.04 0.00 0.77 0.00 0.00 66.41 66.36 2qhq h THR 77 Cb 0.54 1.35 -0.05 0.00 -1.74 0.00 0.00 68.15 68.24 2qhq h THR 77 CO 0.03 0.32 0.58 -0.07 0.37 0.00 0.00 175.52 176.75 2qhq h LEU 78 N 0.30 0.96 -1.94 2.58 3.38 -1.79 -2.25 115.31 116.55 2qhq h LEU 78 Ca 0.08 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2qhq h LEU 78 Cb 0.48 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2qhq h LEU 78 CO 0.02 0.65 -0.04 0.00 0.09 0.00 0.00 178.44 179.16 2qhq h ALA 79 N 1.38 1.90 0.00 1.53 0.00 -1.00 -1.41 119.26 121.67 2qhq h ALA 79 Ca 0.36 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2qhq h ALA 79 Cb 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qhq h ALA 79 CO -0.13 0.05 -0.05 0.00 0.00 0.00 0.00 179.25 179.13 2qhq n PHE 81 N -3.73 0.00 -0.71 0.00 3.72 -0.53 -4.30 117.46 111.91 2qhq n PHE 81 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2qhq n PHE 81 Cb 0.15 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 2qhq n PHE 81 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qhq n GLY 82 N 0.52 3.12 0.27 1.37 0.00 -0.15 -1.95 105.19 108.37 2qhq n GLY 82 Ca 0.13 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.16 2qhq n GLY 82 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qhq h ARG 83 N 0.00 0.00 -0.94 1.61 3.08 -1.90 0.16 114.38 116.40 2qhq h ARG 83 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 2qhq h ARG 83 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 2qhq h ARG 83 CO 0.00 0.09 0.62 0.74 -1.07 0.00 0.00 179.97 180.35 2qhq h PHE 84 N 0.00 1.14 0.00 3.04 0.04 -1.79 0.22 116.94 119.59 2qhq h PHE 84 Ca -0.00 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 2qhq h PHE 84 Cb 0.25 -0.38 -0.00 0.00 2.20 0.00 0.00 35.95 38.01 2qhq h PHE 84 CO 0.00 0.65 -0.11 -0.92 -0.60 0.00 0.00 178.31 177.33 2qhq h TYR 85 N 1.17 0.00 -0.01 -0.55 3.20 -1.42 -1.75 116.97 117.62 2qhq h TYR 85 Ca 0.38 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.15 2qhq h TYR 85 Cb 0.04 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2qhq h TYR 85 CO -0.00 0.52 -0.47 0.00 -1.64 0.00 0.00 178.16 176.57 2qhq h ARG 86 N -1.00 0.03 0.00 1.82 3.08 -0.92 -0.88 114.38 116.51 2qhq h ARG 86 Ca -0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2qhq h ARG 86 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2qhq h ARG 86 CO -0.01 0.49 -0.29 0.39 -1.07 0.00 0.00 179.97 179.47 2qhq n GLU 87 N -3.98 0.16 -0.19 0.04 1.02 0.67 -4.16 120.64 114.20 2qhq n GLU 87 Ca -0.02 0.06 -0.04 0.00 -0.02 0.00 0.00 57.16 57.15 2qhq n GLU 87 Cb 0.49 -0.68 0.06 0.00 -0.02 0.00 0.00 31.44 31.30 2qhq n GLU 87 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2qhq h ASP 88 N -0.29 0.47 0.00 1.62 5.19 -1.27 -2.46 116.42 119.68 2qhq h ASP 88 Ca 0.00 0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 56.31 2qhq h ASP 88 Cb 0.29 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 2qhq h ASP 88 CO 0.00 0.32 -0.94 0.52 -3.12 0.00 0.00 179.24 176.02 2qhq n VAL 89 N -4.82 1.48 0.03 -1.35 0.31 -0.66 -3.81 118.33 109.50 2qhq n VAL 89 Ca 0.06 0.08 -0.00 0.00 -0.01 0.00 0.00 64.34 64.47 2qhq n VAL 89 Cb 0.13 -2.22 0.29 0.00 -0.91 0.00 0.00 33.84 31.13 2qhq n VAL 89 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2qhq h LEU 90 N -1.00 0.44 0.00 7.52 3.38 -1.23 -2.65 115.31 121.76 2qhq h LEU 90 Ca -0.18 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2qhq h LEU 90 Cb 0.92 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2qhq h LEU 90 CO -0.11 0.57 -0.31 -0.07 0.09 0.00 0.00 178.44 178.61 2qhq h LEU 91 N 0.43 0.00 -6.16 1.67 3.38 -1.60 -3.39 115.31 109.64 2qhq h LEU 91 Ca 0.09 -0.07 -0.58 0.00 0.09 0.00 0.00 57.88 57.40 2qhq h LEU 91 Cb 0.42 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.78 2qhq h LEU 91 CO 0.02 0.04 -0.94 1.41 0.09 0.00 0.00 178.44 179.06 2qhq n HIS 92 N -2.38 0.66 0.32 1.13 8.25 -1.00 -4.97 115.22 117.22 2qhq n HIS 92 Ca 0.04 -3.70 0.20 0.00 -0.26 0.00 0.00 57.72 54.00 2qhq n HIS 92 Cb 0.46 -0.32 1.08 0.00 1.12 0.00 0.00 29.99 32.33 2qhq n HIS 92 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2qhq h PRO 93 N 4.37 0.00 -0.01 -0.41 0.13 -1.76 -2.44 132.00 131.88 2qhq h PRO 93 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2qhq h PRO 93 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2qhq h PRO 93 CO 0.55 0.01 -0.48 0.39 -0.23 0.00 0.00 178.00 178.23 2qhq n GLU 94 N -3.34 0.77 -1.18 0.86 1.02 -1.26 -4.93 120.64 112.58 2qhq n GLU 94 Ca -0.03 -0.57 -0.30 0.00 -0.02 0.00 0.00 57.16 56.24 2qhq n GLU 94 Cb 0.10 -1.49 0.14 0.00 -0.02 0.00 0.00 31.44 30.16 2qhq n GLU 94 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2qhq s ASN 95 N -2.62 3.51 -0.02 1.62 0.01 -0.92 -4.99 114.94 111.53 2qhq s ASN 95 Ca 0.18 1.55 0.03 0.00 -0.71 0.00 0.00 52.86 53.91 2qhq s ASN 95 Cb 0.18 -2.23 0.06 0.00 0.41 0.00 0.00 41.25 39.67 2qhq s ASN 95 CO 0.61 -2.62 1.04 0.59 -1.51 0.00 0.00 177.10 175.20 2qhq n ASN 96 N -3.88 2.11 -4.81 -1.22 3.02 -1.26 -5.04 115.26 104.18 2qhq n ASN 96 Ca 0.07 -2.16 -0.29 0.00 -0.03 0.00 0.00 54.58 52.17 2qhq n ASN 96 Cb 0.55 -0.07 0.11 0.00 -0.61 0.00 0.00 39.78 39.75 2qhq n ASN 96 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 2qhq s ASP 97 N -1.27 4.11 -1.27 6.41 -4.77 -1.26 -4.33 116.67 114.29 2qhq s ASP 97 Ca 0.06 1.12 -0.16 0.00 -3.30 0.00 0.00 52.55 50.27 2qhq s ASP 97 Cb 0.05 -1.77 0.01 0.00 -1.09 0.00 0.00 42.92 40.12 2qhq s ASP 97 CO 0.01 -2.19 0.59 1.41 0.70 0.00 0.00 175.17 175.69 2qhq n HIS 98 N -3.55 -1.67 -0.04 2.11 8.25 -1.26 -4.77 115.22 114.29 2qhq n HIS 98 Ca 0.07 0.48 0.13 0.00 -0.26 0.00 0.00 57.72 58.13 2qhq n HIS 98 Cb 0.58 -3.35 0.54 0.00 1.12 0.00 0.00 29.99 28.87 2qhq n HIS 98 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2qhq h GLN 99 N -2.03 0.31 -0.61 -0.41 1.08 -2.00 -1.26 115.11 110.19 2qhq h GLN 99 Ca -0.66 -0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 56.44 2qhq h GLN 99 Cb 1.38 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.71 2qhq h GLN 99 CO 0.55 0.20 0.09 -0.91 -0.95 0.00 0.00 178.83 177.82 2qhq h ASN 100 N 0.32 0.98 -0.22 1.46 2.35 -1.96 -0.16 115.58 118.35 2qhq h ASN 100 Ca 0.25 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2qhq h ASN 100 Cb 0.55 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2qhq h ASN 100 CO -0.06 1.00 0.11 0.40 -1.65 0.00 0.00 177.43 177.23 2qhq h ILE 101 N 0.93 1.14 -0.55 2.81 2.04 -1.62 -1.59 117.51 120.67 2qhq h ILE 101 Ca 0.19 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 2qhq h ILE 101 Cb 0.44 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 2qhq h ILE 101 CO 0.01 0.14 0.11 0.03 0.00 0.00 0.00 178.15 178.44 2qhq h ARG 102 N 0.23 0.85 -0.32 2.37 3.08 -1.19 -2.65 114.38 116.75 2qhq h ARG 102 Ca 0.08 -0.19 -0.17 0.00 0.07 0.00 0.00 59.98 59.77 2qhq h ARG 102 Cb 0.12 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 2qhq h ARG 102 CO -0.01 0.79 -0.45 -0.91 -1.07 0.00 0.00 179.97 178.31 2qhq h ASN 103 N 0.82 0.95 0.00 7.04 2.35 -0.99 -3.25 115.58 122.50 2qhq h ASN 103 Ca 0.17 -0.50 -0.02 0.00 -0.55 0.00 0.00 56.30 55.40 2qhq h ASN 103 Cb 0.34 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2qhq h ASN 103 CO 0.00 1.27 0.03 0.33 -1.65 0.00 0.00 177.43 177.41 2qhq n PHE 104 N -4.07 0.00 0.00 1.19 7.35 -0.60 -1.76 117.46 119.57 2qhq n PHE 104 Ca -0.04 -0.45 0.00 0.00 -0.76 0.00 0.00 57.45 56.20 2qhq n PHE 104 Cb 0.58 -0.47 0.00 0.00 0.35 0.00 0.00 39.48 39.94 2qhq n PHE 104 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2qhq n VAL 106 N 2.02 0.00 0.65 -2.13 0.31 -1.23 -0.29 118.33 117.66 2qhq n VAL 106 Ca 0.04 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.44 2qhq n VAL 106 Cb 0.24 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.08 2qhq n VAL 106 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2qhq n THR 107 N 0.00 0.00 -4.26 2.52 -2.24 -0.72 -5.07 114.28 104.51 2qhq n THR 107 Ca 0.00 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2qhq n THR 107 Cb 0.00 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 2qhq n THR 107 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qhq n GLY 108 N 1.38 0.99 0.21 3.38 0.00 0.61 -2.46 105.19 109.29 2qhq n GLY 108 Ca 0.02 -0.65 0.06 0.00 0.00 0.00 0.00 46.02 45.46 2qhq n GLY 108 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2qhq h TRP 109 N 0.00 0.00 -0.10 1.61 4.06 -1.96 -2.25 115.95 117.32 2qhq h TRP 109 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 2qhq h TRP 109 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 2qhq h TRP 109 CO 0.00 0.30 0.02 1.05 -3.56 0.00 0.00 178.44 176.26 2qhq h GLU 110 N 0.00 0.13 -0.01 0.49 -0.00 -1.98 -2.13 114.58 111.08 2qhq h GLU 110 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 2qhq h GLU 110 Cb 0.65 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.37 2qhq h GLU 110 CO 0.04 0.12 -0.09 0.41 -0.00 0.00 0.00 179.01 179.49 2qhq n GLY 111 N -1.41 -0.69 3.78 1.06 0.00 -0.85 -4.87 105.19 102.22 2qhq n GLY 111 Ca -0.02 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 2qhq n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qhq s ILE 112 N -2.31 5.09 -0.18 -0.61 -1.09 -0.80 -0.86 121.20 120.44 2qhq s ILE 112 Ca 0.33 0.90 -0.04 0.00 -2.23 0.00 0.00 60.65 59.60 2qhq s ILE 112 Cb 0.20 -3.76 0.09 0.00 -1.58 0.00 0.00 42.46 37.41 2qhq s ILE 112 CO 0.44 0.46 0.28 -1.58 -1.23 0.00 0.00 174.94 173.31 2qhq s GLN 113 N -0.27 0.22 0.17 2.79 2.00 -0.63 -4.98 119.66 118.96 2qhq s GLN 113 Ca 0.24 0.54 -0.22 0.00 -2.00 0.00 0.00 55.36 53.93 2qhq s GLN 113 Cb -0.16 -0.50 -0.08 0.00 0.80 0.00 0.00 33.01 33.07 2qhq s GLN 113 CO 0.12 -0.48 0.72 -0.06 -0.50 0.00 0.00 175.29 175.08 2qhq s PHE 114 N 2.43 3.78 0.15 1.67 0.08 -1.26 -0.64 117.98 124.19 2qhq s PHE 114 Ca 0.05 1.46 -0.01 0.00 0.12 0.00 0.00 56.93 58.55 2qhq s PHE 114 Cb -0.14 -2.65 -0.02 0.00 -0.57 0.00 0.00 43.02 39.64 2qhq s PHE 114 CO -0.12 0.45 1.36 1.49 -0.10 0.00 0.00 175.22 178.31 2qhq h GLU 115 N 3.95 0.33 -3.25 0.44 4.81 -1.35 -3.48 114.58 116.04 2qhq h GLU 115 Ca -0.48 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 58.41 2qhq h GLU 115 Cb 1.20 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.62 2qhq h GLU 115 CO 0.65 1.01 0.12 -0.08 -0.73 0.00 0.00 179.01 179.98 2qhq s THR 116 N -3.33 0.00 0.30 0.32 -1.32 -1.26 -5.03 115.64 105.31 2qhq s THR 116 Ca -0.05 -1.15 -0.24 0.00 -1.21 0.00 0.00 61.69 59.05 2qhq s THR 116 Cb 0.10 -2.27 -0.09 0.00 -1.51 0.00 0.00 72.50 68.72 2qhq s THR 116 CO 0.85 0.00 0.87 -0.94 -2.21 0.00 0.00 174.62 173.19 2qhq s SER 117 N -3.00 7.22 -0.02 8.08 1.04 -1.26 -4.82 113.70 120.95 2qhq s SER 117 Ca 0.16 1.68 0.15 0.00 0.48 0.00 0.00 55.95 58.43 2qhq s SER 117 Cb -0.04 -2.52 -0.22 0.00 0.10 0.00 0.00 66.02 63.34 2qhq s SER 117 CO 0.09 -0.05 0.39 0.00 0.98 0.00 0.00 173.24 174.65 2qhq n ALA 118 N 0.53 2.82 -2.85 5.32 0.00 -1.26 -4.79 120.51 120.27 2qhq n ALA 118 Ca 0.01 -0.37 -0.19 0.00 0.00 0.00 0.00 53.44 52.89 2qhq n ALA 118 Cb 0.51 -0.52 -0.15 0.00 0.00 0.00 0.00 19.45 19.29 2qhq n ALA 118 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qhq s LEU 119 N -3.78 1.90 -0.05 0.00 1.43 -1.26 -0.28 118.68 116.64 2qhq s LEU 119 Ca -0.03 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 2qhq s LEU 119 Cb 0.10 -0.49 0.01 0.00 0.03 0.00 0.00 46.19 45.83 2qhq s LEU 119 CO 0.62 0.09 -0.13 -0.89 0.23 0.00 0.00 176.35 176.27 2qhq s THR 120 N -0.01 1.13 -1.92 5.49 2.01 -0.80 -4.97 115.64 116.57 2qhq s THR 120 Ca 0.00 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.50 2qhq s THR 120 Cb -0.06 -1.01 0.00 0.00 0.01 0.00 0.00 72.50 71.44 2qhq s THR 120 CO -0.00 0.35 0.48 0.00 -0.69 0.00 0.00 174.62 174.75