#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyq n GLY 2 N 0.00 2.23 0.28 -0.02 0.00 -1.26 -5.10 105.19 101.32 2pyq n GLY 2 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.00 2pyq n GLY 2 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2pyq h LYS 3 N 0.00 0.34 -0.72 1.61 3.64 -2.05 -2.42 116.57 116.98 2pyq h LYS 3 Ca 0.00 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2pyq h LYS 3 Cb 0.00 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.69 2pyq h LYS 3 CO 0.00 0.28 0.41 -0.09 -2.27 0.00 0.00 179.45 177.78 2pyq h ARG 4 N 0.35 0.74 -0.42 1.90 2.43 -2.00 -0.25 114.38 117.13 2pyq h ARG 4 Ca 0.09 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 2pyq h ARG 4 Cb 0.05 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2pyq h ARG 4 CO -0.01 0.49 -0.18 -0.44 -1.51 0.00 0.00 179.97 178.31 2pyq h ASP 5 N 0.76 0.81 -0.77 -3.80 3.32 -1.87 -0.60 116.42 114.27 2pyq h ASP 5 Ca 0.32 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 2pyq h ASP 5 Cb 0.18 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 2pyq h ASP 5 CO -0.18 0.99 0.33 0.44 -1.72 0.00 0.00 179.24 179.10 2pyq h ASP 6 N 0.71 1.04 -0.21 6.45 3.32 -1.34 -1.19 116.42 125.19 2pyq h ASP 6 Ca 0.11 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 2pyq h ASP 6 Cb 0.70 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2pyq h ASP 6 CO 0.05 0.91 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.38 2pyq h LEU 7 N 1.10 0.39 -0.44 1.55 3.38 -0.77 -0.84 115.31 119.68 2pyq h LEU 7 Ca 0.26 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.95 2pyq h LEU 7 Cb 0.17 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 2pyq h LEU 7 CO -0.03 0.64 0.11 0.40 0.09 0.00 0.00 178.44 179.66 2pyq h ILE 8 N 0.12 0.80 -0.52 1.22 2.04 -1.02 0.94 117.51 121.10 2pyq h ILE 8 Ca 0.05 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.85 2pyq h ILE 8 Cb 0.46 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 2pyq h ILE 8 CO 0.02 0.05 0.31 0.00 0.00 0.00 0.00 178.15 178.53 2pyq h ALA 9 N 1.32 0.66 -0.56 1.87 0.00 -1.12 -0.29 119.26 121.15 2pyq h ALA 9 Ca 0.21 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2pyq h ALA 9 Cb 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2pyq h ALA 9 CO -0.25 0.03 0.33 0.37 0.00 0.00 0.00 179.25 179.73 2pyq h GLN 10 N 0.63 0.76 -0.50 0.00 5.75 -0.35 -0.62 115.11 120.78 2pyq h GLN 10 Ca 0.21 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.63 2pyq h GLN 10 Cb 0.01 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 2pyq h GLN 10 CO -0.09 0.55 0.31 1.88 -2.65 0.00 0.00 178.83 178.83 2pyq h TYR 11 N 0.75 0.65 -0.74 3.99 0.05 -0.38 -0.26 116.97 121.02 2pyq h TYR 11 Ca 0.20 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.94 2pyq h TYR 11 Cb -0.01 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 37.48 2pyq h TYR 11 CO -0.02 0.44 0.32 0.00 -1.05 0.00 0.00 178.16 177.84 2pyq h ALA 12 N 1.15 0.96 -0.39 3.88 0.00 -0.83 -0.76 119.26 123.28 2pyq h ALA 12 Ca 0.18 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2pyq h ALA 12 Cb -0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2pyq h ALA 12 CO -0.03 0.56 0.10 0.22 0.00 0.00 0.00 179.25 180.10 2pyq h ASP 13 N 1.06 0.58 -0.54 0.00 1.82 -0.84 -1.87 116.42 116.63 2pyq h ASP 13 Ca 0.25 -0.22 0.01 0.00 -0.39 0.00 0.00 57.03 56.67 2pyq h ASP 13 Cb 0.18 -0.15 -0.03 0.00 0.68 0.00 0.00 39.33 40.01 2pyq h ASP 13 CO -0.02 0.65 0.35 0.44 -1.61 0.00 0.00 179.24 179.06 2pyq h ASP 14 N 0.48 0.62 -0.63 2.28 5.19 -0.79 0.17 116.42 123.75 2pyq h ASP 14 Ca 0.12 -0.02 0.03 0.00 -0.62 0.00 0.00 57.03 56.54 2pyq h ASP 14 Cb 0.29 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 39.61 2pyq h ASP 14 CO -0.00 0.45 0.39 -0.07 -3.12 0.00 0.00 179.24 176.89 2pyq h LEU 15 N 0.73 0.65 0.09 1.55 3.38 -0.93 0.72 115.31 121.49 2pyq h LEU 15 Ca 0.20 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2pyq h LEU 15 Cb -0.08 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2pyq h LEU 15 CO -0.04 0.45 -0.04 -0.09 0.09 0.00 0.00 178.44 178.81 2pyq h ARG 16 N 0.78 -0.11 0.00 1.13 2.43 -1.01 -2.04 114.38 115.55 2pyq h ARG 16 Ca 0.25 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2pyq h ARG 16 Cb 0.01 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2pyq h ARG 16 CO -0.10 0.41 -1.16 0.09 -1.51 0.00 0.00 179.97 177.70 2pyq n ASN 17 N -4.86 0.61 -0.05 -3.80 3.02 0.58 -2.98 115.26 107.77 2pyq n ASN 17 Ca -0.08 0.07 -0.05 0.00 -0.03 0.00 0.00 54.58 54.48 2pyq n ASN 17 Cb 0.29 0.82 -0.08 0.00 -0.61 0.00 0.00 39.78 40.20 2pyq n ASN 17 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2pyq n LYS 18 N -2.32 2.09 0.00 3.52 5.02 0.14 -4.77 118.16 121.85 2pyq n LYS 18 Ca 0.00 0.01 0.07 0.00 -2.02 0.00 0.00 58.31 56.37 2pyq n LYS 18 Cb 0.51 -1.26 -0.06 0.00 -0.02 0.00 0.00 35.03 34.20 2pyq n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pyq n GLY 20 N 1.28 -0.93 2.95 0.00 0.00 -0.78 -4.94 105.19 102.77 2pyq n GLY 20 Ca 0.04 0.32 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 2pyq n GLY 20 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pyq s GLU 22 N -2.80 1.75 0.24 1.61 2.12 -1.26 -4.99 118.70 115.38 2pyq s GLU 22 Ca 0.03 -0.81 -0.30 0.00 0.36 0.00 0.00 54.97 54.26 2pyq s GLU 22 Cb -0.01 -2.37 -0.09 0.00 0.26 0.00 0.00 34.13 31.92 2pyq s GLU 22 CO 0.47 -0.48 1.24 -1.25 -0.54 0.00 0.00 175.26 174.70 2pyq s PRO 23 N 1.46 4.46 0.63 4.30 0.04 -1.26 -5.05 135.00 139.58 2pyq s PRO 23 Ca -0.02 2.00 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 2pyq s PRO 23 Cb -0.17 -3.17 0.06 0.00 0.04 0.00 0.00 34.50 31.25 2pyq s PRO 23 CO -0.07 -0.10 0.89 0.34 0.04 0.00 0.00 177.00 178.10 2pyq s ASP 24 N -0.17 4.97 0.00 6.66 -1.08 -1.26 -5.06 116.67 120.73 2pyq s ASP 24 Ca 0.51 0.12 0.00 0.00 -0.52 0.00 0.00 52.55 52.67 2pyq s ASP 24 Cb -0.35 -0.86 0.00 0.00 -1.46 0.00 0.00 42.92 40.25 2pyq s ASP 24 CO 0.42 -1.41 0.00 0.00 0.52 0.00 0.00 175.17 174.70 2pyq n ALA 26 N -2.63 0.00 -0.11 3.66 0.00 -1.26 -0.38 120.51 119.79 2pyq n ALA 26 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.42 2pyq n ALA 26 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 2pyq n ALA 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2pyq h LEU 27 N 0.00 0.59 -0.71 0.00 5.85 -1.99 -2.57 115.31 116.48 2pyq h LEU 27 Ca 0.00 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.41 2pyq h LEU 27 Cb 0.00 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 2pyq h LEU 27 CO 0.00 0.78 0.45 0.25 -0.34 0.00 0.00 178.44 179.58 2pyq h LEU 28 N 0.38 0.75 -0.88 2.25 5.85 -1.13 0.11 115.31 122.64 2pyq h LEU 28 Ca 0.09 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2pyq h LEU 28 Cb 0.50 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 2pyq h LEU 28 CO 0.02 0.53 0.49 -0.33 -0.34 0.00 0.00 178.44 178.81 2pyq h GLU 29 N 0.89 1.23 -0.42 1.25 5.08 -1.79 -0.55 114.58 120.26 2pyq h GLU 29 Ca 0.28 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 2pyq h GLU 29 Cb -0.02 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 2pyq h GLU 29 CO -0.09 0.89 -0.04 0.87 -1.00 0.00 0.00 179.01 179.64 2pyq h LYS 30 N 1.23 0.77 -0.43 2.33 1.57 -0.98 -1.10 116.57 119.96 2pyq h LYS 30 Ca 0.31 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2pyq h LYS 30 Cb 0.02 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2pyq h LYS 30 CO -0.05 0.87 0.23 0.28 -0.57 0.00 0.00 179.45 180.21 2pyq h VAL 31 N 0.60 1.16 -0.33 0.50 2.07 -0.83 -1.17 116.25 118.26 2pyq h VAL 31 Ca 0.12 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2pyq h VAL 31 Cb 0.54 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 2pyq h VAL 31 CO 0.03 0.17 0.20 0.74 0.02 0.00 0.00 177.57 178.73 2pyq h THR 32 N 0.56 1.11 -0.96 2.57 2.02 -1.01 -2.03 112.91 115.18 2pyq h THR 32 Ca 0.15 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 2pyq h THR 32 Cb 0.07 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 2pyq h THR 32 CO -0.02 0.11 0.59 0.50 0.37 0.00 0.00 175.52 177.07 2pyq h LYS 33 N 0.42 1.30 0.00 6.66 3.64 -1.06 -2.08 116.57 125.45 2pyq h LYS 33 Ca 0.12 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2pyq h LYS 33 Cb 0.01 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 31.55 2pyq h LYS 33 CO -0.02 0.90 -0.10 0.78 -2.27 0.00 0.00 179.45 178.74 2pyq h GLY 34 N 1.32 0.00 2.00 5.01 0.00 -0.69 -1.85 103.07 108.86 2pyq h GLY 34 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2pyq h GLY 34 CO -0.07 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.47 2pyq n GLY 36 N 0.24 2.05 0.10 0.00 0.00 -0.70 -2.98 105.19 103.90 2pyq n GLY 36 Ca 0.02 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.61 2pyq n GLY 36 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pyq n PRO 37 N 11.31 0.17 -0.33 1.61 -0.04 -1.26 -3.35 135.00 143.10 2pyq n PRO 37 Ca 0.00 0.34 0.25 0.00 -0.04 0.00 0.00 63.50 64.05 2pyq n PRO 37 Cb 0.00 -1.78 0.55 0.00 -0.04 0.00 0.00 33.50 32.22 2pyq n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pyq h ALA 38 N 2.38 2.37 0.00 0.55 0.00 -1.89 -1.28 119.26 121.39 2pyq h ALA 38 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2pyq h ALA 38 Cb 0.41 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2pyq h ALA 38 CO 0.00 -0.79 -0.16 -0.84 0.00 0.00 0.00 179.25 177.46 2pyq h ILE 39 N 0.32 0.73 0.00 0.00 3.07 -1.76 -2.64 117.51 117.23 2pyq h ILE 39 Ca 0.61 -0.66 0.00 0.00 1.55 0.00 0.00 64.86 66.36 2pyq h ILE 39 Cb 1.67 1.40 0.00 0.00 -0.27 0.00 0.00 36.82 39.62 2pyq h ILE 39 CO -0.27 0.16 -0.75 -1.22 -1.05 0.00 0.00 178.15 175.02 2pyq n TYR 40 N -3.79 0.12 -3.29 0.16 4.01 -0.49 -4.77 117.16 109.10 2pyq n TYR 40 Ca -0.02 0.03 -0.39 0.00 -0.16 0.00 0.00 57.90 57.36 2pyq n TYR 40 Cb 0.27 -0.29 -0.07 0.00 -0.31 0.00 0.00 39.34 38.94 2pyq n TYR 40 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2pyq s ASN 41 N -3.35 6.49 0.13 7.72 3.84 -1.03 -5.01 114.94 123.74 2pyq s ASN 41 Ca 0.08 0.58 -0.27 0.00 0.21 0.00 0.00 52.86 53.46 2pyq s ASN 41 Cb 0.16 -2.27 -0.04 0.00 -0.55 0.00 0.00 41.25 38.55 2pyq s ASN 41 CO 0.76 -0.18 1.60 -0.09 -2.79 0.00 0.00 177.10 176.40 2pyq h ARG 42 N 7.59 -0.44 -0.23 0.43 9.65 -1.89 0.77 114.38 130.27 2pyq h ARG 42 Ca -0.33 0.03 -0.15 0.00 -1.10 0.00 0.00 59.98 58.42 2pyq h ARG 42 Cb 1.15 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.83 2pyq h ARG 42 CO 0.72 -0.29 -0.49 -0.44 2.80 0.00 0.00 179.97 182.27 2pyq h ASP 43 N -0.46 0.67 1.49 -3.80 5.19 -1.94 -3.06 116.42 114.52 2pyq h ASP 43 Ca 0.08 -0.34 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 2pyq h ASP 43 Cb 0.59 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.90 2pyq h ASP 43 CO -0.35 1.05 0.00 0.00 -3.12 0.00 0.00 179.24 176.82 2pyq h ALA 44 N 0.97 1.00 0.00 3.45 0.00 -1.72 -3.30 119.26 119.65 2pyq h ALA 44 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2pyq h ALA 44 Cb 1.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2pyq h ALA 44 CO 0.10 0.00 -0.08 0.66 0.00 0.00 0.00 179.25 179.93 2pyq h SER 45 N 0.00 0.00 -2.41 0.00 4.64 -0.52 -3.45 113.55 111.81 2pyq h SER 45 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 2pyq h SER 45 Cb 0.75 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.70 2pyq h SER 45 CO 0.00 0.08 -0.73 0.42 -0.87 0.00 0.00 176.83 175.73 2pyq s THR 46 N -3.47 2.20 -0.15 2.95 -4.23 -1.24 -0.63 115.64 111.06 2pyq s THR 46 Ca 0.03 -2.30 -0.01 0.00 -1.18 0.00 0.00 61.69 58.24 2pyq s THR 46 Cb 0.08 -2.35 -0.01 0.00 1.34 0.00 0.00 72.50 71.56 2pyq s THR 46 CO 0.61 -0.38 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.50 2pyq s VAL 47 N -2.67 3.00 -0.70 2.29 1.01 0.57 -4.71 120.40 119.19 2pyq s VAL 47 Ca 0.29 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 61.37 2pyq s VAL 47 Cb -0.02 -2.28 0.05 0.00 0.00 0.00 0.00 36.38 34.14 2pyq s VAL 47 CO 0.14 0.51 1.10 0.00 0.00 0.00 0.00 175.10 176.84 2pyq s ALA 48 N 0.64 2.96 0.63 5.51 0.00 -1.26 -4.43 121.76 125.81 2pyq s ALA 48 Ca -0.07 -1.67 0.37 0.00 0.00 0.00 0.00 51.96 50.59 2pyq s ALA 48 Cb -0.15 -4.03 2.12 0.00 0.00 0.00 0.00 23.12 21.05 2pyq s ALA 48 CO 0.03 -3.00 2.31 0.78 0.00 0.00 0.00 175.76 175.88 2pyq h GLY 49 N 12.04 0.00 -0.92 0.00 0.00 -1.93 -2.61 103.07 109.65 2pyq h GLY 49 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2pyq h GLY 49 CO 1.22 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.62 2pyq n SER 50 N -3.48 3.13 -4.57 0.19 3.41 -1.26 -4.97 113.62 106.06 2pyq n SER 50 Ca -0.03 -2.84 -0.39 0.00 -0.26 0.00 0.00 58.87 55.35 2pyq n SER 50 Cb 0.08 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 63.50 2pyq n SER 50 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2pyq s ASP 51 N -2.05 6.11 0.20 4.04 2.15 -0.98 -4.98 116.67 121.16 2pyq s ASP 51 Ca 0.33 -0.12 -0.10 0.00 0.43 0.00 0.00 52.55 53.09 2pyq s ASP 51 Cb 0.27 -2.16 0.14 0.00 -0.30 0.00 0.00 42.92 40.87 2pyq s ASP 51 CO 0.07 -0.20 1.84 0.71 -0.17 0.00 0.00 175.17 177.42 2pyq h THR 52 N 5.45 1.21 -0.13 1.71 1.35 -1.93 -2.18 112.91 118.39 2pyq h THR 52 Ca -0.32 -0.49 -0.00 0.00 -0.55 0.00 0.00 66.41 65.05 2pyq h THR 52 Cb 1.16 0.20 -0.01 0.00 -1.73 0.00 0.00 68.15 67.78 2pyq h THR 52 CO 0.62 0.23 0.08 0.00 -0.25 0.00 0.00 175.52 176.20 2pyq h ALA 53 N 1.23 0.17 -0.37 6.62 0.00 -1.96 -1.03 119.26 123.91 2pyq h ALA 53 Ca 0.26 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.20 2pyq h ALA 53 Cb -0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2pyq h ALA 53 CO -0.05 -0.32 0.00 1.49 0.00 0.00 0.00 179.25 180.38 2pyq h GLU 54 N 0.14 0.10 -0.48 0.00 4.57 -1.82 -1.17 114.58 115.92 2pyq h GLU 54 Ca 0.05 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.10 2pyq h GLU 54 Cb 0.04 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2pyq h GLU 54 CO -0.01 0.07 -0.18 -0.07 -1.18 0.00 0.00 179.01 177.64 2pyq h LEU 55 N 0.10 0.96 -1.26 1.64 3.38 -1.08 -0.98 115.31 118.08 2pyq h LEU 55 Ca 0.18 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 2pyq h LEU 55 Cb 0.25 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2pyq h LEU 55 CO -0.30 1.12 -0.02 -0.33 0.09 0.00 0.00 178.44 178.99 2pyq h GLU 56 N 0.83 0.47 -0.28 1.13 4.39 -1.01 -1.59 114.58 118.52 2pyq h GLU 56 Ca 0.12 -0.10 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 2pyq h GLU 56 Cb 0.74 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 2pyq h GLU 56 CO 0.06 0.52 -0.22 1.15 -1.16 0.00 0.00 179.01 179.36 2pyq h THR 57 N 0.45 1.30 -0.57 1.13 2.02 -0.84 -1.02 112.91 115.39 2pyq h THR 57 Ca 0.10 -1.36 0.05 0.00 0.77 0.00 0.00 66.41 65.96 2pyq h THR 57 Cb 0.33 1.56 -0.05 0.00 -1.74 0.00 0.00 68.15 68.26 2pyq h THR 57 CO 0.01 0.43 0.31 0.40 0.37 0.00 0.00 175.52 177.04 2pyq h ILE 58 N 0.38 0.98 0.24 3.11 2.04 -0.97 0.11 117.51 123.41 2pyq h ILE 58 Ca 0.05 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2pyq h ILE 58 Cb 0.77 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2pyq h ILE 58 CO 0.06 0.11 -0.12 0.50 0.00 0.00 0.00 178.15 178.70 2pyq h LYS 59 N 0.59 -0.32 -0.22 2.37 3.64 -1.20 -0.01 116.57 121.42 2pyq h LYS 59 Ca 0.25 0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.50 2pyq h LYS 59 Cb 0.13 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2pyq h LYS 59 CO -0.15 -0.18 -0.43 1.57 -2.27 0.00 0.00 179.45 177.99 2pyq h LYS 60 N -0.37 0.69 0.10 1.90 2.10 -0.97 -3.08 116.57 116.94 2pyq h LYS 60 Ca -0.03 -0.44 -0.32 0.00 -2.00 0.00 0.00 60.65 57.85 2pyq h LYS 60 Cb 0.29 0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 31.65 2pyq h LYS 60 CO 0.06 1.06 -1.74 -0.91 -2.00 0.00 0.00 179.45 175.91 2pyq h ASN 61 N 0.40 0.34 0.00 7.07 2.35 -0.86 -2.44 115.58 122.43 2pyq h ASN 61 Ca 0.01 -0.84 -0.05 0.00 -0.55 0.00 0.00 56.30 54.86 2pyq h ASN 61 Cb 1.03 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 2pyq h ASN 61 CO 0.10 1.75 -0.64 0.15 -1.65 0.00 0.00 177.43 177.13 2pyq h PHE 62 N -0.21 0.00 0.00 1.19 3.57 -1.16 -1.97 116.94 118.36 2pyq h PHE 62 Ca -0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.11 2pyq h PHE 62 Cb 1.85 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.59 2pyq h PHE 62 CO 0.09 0.35 0.00 1.28 -2.23 0.00 0.00 178.31 177.80 2pyq n LEU 63 N -4.59 0.00 0.00 0.59 4.77 -0.49 -0.77 117.00 116.51 2pyq n LEU 63 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 2pyq n LEU 63 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2pyq n LEU 63 CO 0.12 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.35 2pyq n LYS 65 N -0.87 0.00 0.02 3.23 0.00 -0.92 -1.41 118.16 118.21 2pyq n LYS 65 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.25 2pyq n LYS 65 Cb 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 34.97 2pyq n LYS 65 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2pyq h LYS 66 N 0.00 -0.14 0.00 1.64 3.64 -1.01 -3.31 116.57 117.39 2pyq h LYS 66 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2pyq h LYS 66 Cb 0.00 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2pyq h LYS 66 CO 0.00 0.36 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.45 2pyq h LEU 67 N -0.83 0.00 0.11 5.20 3.38 -0.99 -3.48 115.31 118.71 2pyq h LEU 67 Ca -0.01 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2pyq h LEU 67 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2pyq h LEU 67 CO 0.02 0.00 -0.04 0.61 0.09 0.00 0.00 178.44 179.12 2pyq n GLY 68 N 1.28 0.57 3.75 0.83 0.00 -1.12 -4.97 105.19 105.54 2pyq n GLY 68 Ca 0.05 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 2pyq n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pyq s LEU 69 N -0.55 4.55 0.56 0.99 1.43 -0.50 -5.01 118.68 120.16 2pyq s LEU 69 Ca 0.00 2.17 -0.18 0.00 -1.03 0.00 0.00 54.13 55.09 2pyq s LEU 69 Cb 0.00 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 2pyq s LEU 69 CO 0.00 -0.12 1.11 0.00 0.23 0.00 0.00 176.35 177.57 2pyq s ALA 70 N -0.89 2.67 0.03 4.21 0.00 -1.26 -4.78 121.76 121.74 2pyq s ALA 70 Ca 0.45 0.73 -0.30 0.00 0.00 0.00 0.00 51.96 52.83 2pyq s ALA 70 Cb -0.30 -3.34 -0.07 0.00 0.00 0.00 0.00 23.12 19.41 2pyq s ALA 70 CO 0.38 -0.84 1.53 0.34 0.00 0.00 0.00 175.76 177.17 2pyq s ASP 71 N -2.01 6.72 0.24 0.00 2.15 -1.26 -4.92 116.67 117.59 2pyq s ASP 71 Ca 0.71 2.30 -0.20 0.00 0.43 0.00 0.00 52.55 55.79 2pyq s ASP 71 Cb -0.22 -2.56 0.03 0.00 -0.30 0.00 0.00 42.92 39.87 2pyq s ASP 71 CO 0.30 -0.81 0.63 -0.94 -0.17 0.00 0.00 175.17 174.18 2pyq s SER 72 N 2.16 -0.30 0.49 -0.34 1.04 -1.26 -5.04 113.70 110.45 2pyq s SER 72 Ca 0.69 -0.50 0.16 0.00 0.48 0.00 0.00 55.95 56.78 2pyq s SER 72 Cb -0.36 0.66 1.20 0.00 0.10 0.00 0.00 66.02 67.63 2pyq s SER 72 CO 0.29 -1.20 2.08 1.05 0.98 0.00 0.00 173.24 176.44 2pyq h GLU 73 N 2.07 0.14 -0.06 4.02 9.09 -2.06 -2.14 114.58 125.63 2pyq h GLU 73 Ca -0.25 -0.01 0.02 0.00 0.05 0.00 0.00 59.36 59.17 2pyq h GLU 73 Cb 1.26 -0.03 -0.00 0.00 -1.65 0.00 0.00 28.75 28.33 2pyq h GLU 73 CO 0.30 0.09 0.07 0.66 0.05 0.00 0.00 179.01 180.18 2pyq h SER 74 N 0.14 0.00 0.00 3.06 4.64 -1.96 -2.74 113.55 116.69 2pyq h SER 74 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2pyq h SER 74 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2pyq h SER 74 CO -0.02 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.12 2pyq n LEU 75 N -3.91 0.06 0.00 5.97 4.77 -0.81 -1.20 117.00 121.88 2pyq n LEU 75 Ca -0.01 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 2pyq n LEU 75 Cb 0.16 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2pyq n LEU 75 CO 0.28 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2pyq n GLY 77 N -0.10 0.00 0.24 -0.72 0.00 -1.03 -2.07 105.19 101.50 2pyq n GLY 77 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2pyq n GLY 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2pyq h GLY 78 N 0.00 0.86 0.83 -0.02 0.00 -1.44 -1.04 103.07 102.26 2pyq h GLY 78 Ca 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 47.33 46.67 2pyq h GLY 78 CO 0.00 0.62 0.08 -2.22 0.00 0.00 0.00 176.54 175.02 2pyq h ILE 79 N 0.62 0.95 -0.89 2.60 2.04 -1.68 -0.75 117.51 120.40 2pyq h ILE 79 Ca 0.11 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 2pyq h ILE 79 Cb 0.58 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 2pyq h ILE 79 CO 0.03 0.03 0.53 1.56 0.00 0.00 0.00 178.15 180.30 2pyq h GLN 80 N 0.19 1.22 -0.35 2.37 1.08 -1.82 -1.86 115.11 115.94 2pyq h GLN 80 Ca 0.10 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2pyq h GLN 80 Cb 0.06 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.22 2pyq h GLN 80 CO -0.10 0.87 0.18 1.03 -0.95 0.00 0.00 178.83 179.86 2pyq h SER 81 N 1.23 0.45 1.44 1.46 0.87 -0.85 -1.22 113.55 116.93 2pyq h SER 81 Ca 0.32 -0.11 -0.11 0.00 -1.23 0.00 0.00 61.79 60.65 2pyq h SER 81 Cb -0.03 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 2pyq h SER 81 CO -0.06 0.44 -0.56 -0.37 -0.53 0.00 0.00 176.83 175.74 2pyq h VAL 82 N 0.44 0.91 -0.61 2.23 -1.51 -0.94 -1.20 116.25 115.57 2pyq h VAL 82 Ca 0.12 -2.30 -0.02 0.00 -1.23 0.00 0.00 66.70 63.27 2pyq h VAL 82 Cb 0.10 2.44 -0.03 0.00 -2.13 0.00 0.00 31.29 31.67 2pyq h VAL 82 CO -0.02 0.52 0.30 0.40 -1.23 0.00 0.00 177.57 177.54 2pyq h ILE 83 N 0.00 1.21 -0.63 7.19 1.08 -1.23 -1.18 117.51 123.95 2pyq h ILE 83 Ca -0.01 -0.59 0.01 0.00 -0.39 0.00 0.00 64.86 63.88 2pyq h ILE 83 Cb 1.42 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 35.62 2pyq h ILE 83 CO 0.07 0.24 0.42 -0.33 -0.69 0.00 0.00 178.15 177.86 2pyq h GLU 84 N 0.83 0.83 -0.73 2.37 4.39 -0.99 -0.78 114.58 120.51 2pyq h GLU 84 Ca 0.21 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 2pyq h GLU 84 Cb 0.11 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 2pyq h GLU 84 CO -0.03 0.55 0.44 1.15 -1.16 0.00 0.00 179.01 179.96 2pyq h THR 85 N 0.86 1.21 -0.39 1.13 2.02 -0.96 -2.95 112.91 113.83 2pyq h THR 85 Ca 0.23 -0.47 -0.10 0.00 0.77 0.00 0.00 66.41 66.84 2pyq h THR 85 Cb -0.10 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 2pyq h THR 85 CO -0.05 0.22 -0.16 0.22 0.37 0.00 0.00 175.52 176.12 2pyq h TYR 86 N 1.00 0.92 0.00 3.16 5.03 -0.95 -3.40 116.97 122.73 2pyq h TYR 86 Ca 0.26 -0.22 0.00 0.00 2.58 0.00 0.00 58.73 61.35 2pyq h TYR 86 Cb -0.03 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.04 2pyq h TYR 86 CO -0.01 0.96 0.00 0.41 -1.32 0.00 0.00 178.16 178.20 2pyq n GLY 87 N -0.10 2.85 0.35 1.82 0.00 -0.32 -4.76 105.19 105.02 2pyq n GLY 87 Ca -0.01 -0.76 0.10 0.00 0.00 0.00 0.00 46.02 45.35 2pyq n GLY 87 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2pyq h ARG 88 N 0.00 0.51 -0.32 1.61 2.43 -1.75 -1.01 114.38 115.85 2pyq h ARG 88 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2pyq h ARG 88 Cb 0.00 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2pyq h ARG 88 CO 0.00 0.34 0.00 -1.13 -1.51 0.00 0.00 179.97 177.67 2pyq n SER 89 N -4.48 2.02 -4.69 -3.80 3.41 -1.26 -4.90 113.62 99.92 2pyq n SER 89 Ca 0.10 -1.90 -0.42 0.00 -0.26 0.00 0.00 58.87 56.39 2pyq n SER 89 Cb 0.31 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 2pyq n SER 89 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2pyq s GLU 90 N -1.58 4.22 0.18 4.33 2.56 -0.39 -4.92 118.70 123.10 2pyq s GLU 90 Ca 0.29 2.23 -0.07 0.00 0.00 0.00 0.00 54.97 57.42 2pyq s GLU 90 Cb 0.15 -3.64 0.08 0.00 2.00 0.00 0.00 34.13 32.73 2pyq s GLU 90 CO 0.21 -0.71 1.57 0.07 -0.56 0.00 0.00 175.26 175.85 2pyq h ARG 91 N 8.34 0.87 -3.21 4.30 0.11 -1.90 -3.37 114.38 119.51 2pyq h ARG 91 Ca -0.41 -0.38 -0.66 0.00 0.10 0.00 0.00 59.98 58.62 2pyq h ARG 91 Cb 1.19 -0.02 -0.39 0.00 1.11 0.00 0.00 29.97 31.86 2pyq h ARG 91 CO 0.93 1.03 -0.35 -0.80 0.10 0.00 0.00 179.97 180.88 2pyq s ASN 92 N -6.77 5.37 -0.69 0.08 0.01 -1.26 -4.98 114.94 106.70 2pyq s ASN 92 Ca -0.10 -3.75 -0.23 0.00 -0.71 0.00 0.00 52.86 48.07 2pyq s ASN 92 Cb 0.12 -1.77 0.07 0.00 0.41 0.00 0.00 41.25 40.09 2pyq s ASN 92 CO 0.86 -0.14 1.01 -0.54 -1.51 0.00 0.00 177.10 176.78 2pyq s LYS 93 N -1.35 3.16 0.20 -0.60 1.02 -1.26 -5.01 119.74 115.89 2pyq s LYS 93 Ca 0.26 -0.86 -0.31 0.00 0.02 0.00 0.00 55.97 55.08 2pyq s LYS 93 Cb -0.07 -4.30 -0.09 0.00 -0.52 0.00 0.00 37.83 32.85 2pyq s LYS 93 CO -0.14 -1.85 1.43 0.71 -0.92 0.00 0.00 175.35 174.58 2pyq s TYR 94 N 4.10 3.12 0.22 3.18 2.02 -1.26 -0.32 117.35 128.41 2pyq s TYR 94 Ca 0.24 0.97 -0.07 0.00 -0.37 0.00 0.00 57.07 57.84 2pyq s TYR 94 Cb -0.15 -3.77 0.31 0.00 -0.40 0.00 0.00 41.96 37.95 2pyq s TYR 94 CO 0.09 -2.61 1.79 -0.09 -1.57 0.00 0.00 175.55 173.15 2pyq h ARG 95 N 5.79 0.62 -0.92 -0.62 2.43 -1.15 -0.94 114.38 119.58 2pyq h ARG 95 Ca -0.44 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 58.70 2pyq h ARG 95 Cb 1.21 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.58 2pyq h ARG 95 CO 0.82 0.41 0.61 0.00 -1.51 0.00 0.00 179.97 180.30 2pyq h ALA 96 N 1.41 1.35 -0.19 2.80 0.00 -1.91 0.17 119.26 122.88 2pyq h ALA 96 Ca 0.34 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2pyq h ALA 96 Cb 0.32 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2pyq h ALA 96 CO -0.24 0.61 -0.02 0.28 0.00 0.00 0.00 179.25 179.88 2pyq h VAL 97 N 1.24 1.27 -0.62 0.00 2.07 -1.73 -1.03 116.25 117.45 2pyq h VAL 97 Ca 0.34 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.95 2pyq h VAL 97 Cb -0.14 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2pyq h VAL 97 CO -0.07 0.28 0.40 0.58 0.02 0.00 0.00 177.57 178.78 2pyq h VAL 98 N 0.08 1.14 -0.66 2.57 2.07 -0.73 -2.81 116.25 117.90 2pyq h VAL 98 Ca 0.05 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 2pyq h VAL 98 Cb 0.43 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2pyq h VAL 98 CO 0.01 0.15 0.08 1.88 0.02 0.00 0.00 177.57 179.71 2pyq h TYR 99 N 0.82 1.19 0.00 1.57 -1.99 -0.65 -0.69 116.97 117.22 2pyq h TYR 99 Ca 0.23 -0.18 0.00 0.00 2.00 0.00 0.00 58.73 60.79 2pyq h TYR 99 Cb -0.06 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 38.34 2pyq h TYR 99 CO -0.04 1.01 0.00 0.98 -0.00 0.00 0.00 178.16 180.11 2pyq n TYR 100 N -4.20 0.00 0.00 4.88 4.19 -0.40 -1.13 117.16 120.50 2pyq n TYR 100 Ca 0.04 -0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.25 2pyq n TYR 100 Cb 0.31 -0.01 0.00 0.00 0.49 0.00 0.00 39.34 40.13 2pyq n TYR 100 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 2pyq n LEU 102 N 0.54 0.00 -0.15 2.98 4.77 -0.27 -1.88 117.00 122.99 2pyq n LEU 102 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 2pyq n LEU 102 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 2pyq n LEU 102 CO 0.00 0.00 0.98 0.74 -1.33 0.00 0.00 177.39 177.78 2pyq h THR 103 N 0.00 0.90 -0.40 -5.08 2.02 -1.39 -1.98 112.91 106.97 2pyq h THR 103 Ca 0.00 -0.13 -0.15 0.00 0.77 0.00 0.00 66.41 66.89 2pyq h THR 103 Cb 0.00 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2pyq h THR 103 CO 0.00 0.07 -0.35 0.11 0.37 0.00 0.00 175.52 175.72 2pyq h LYS 104 N 0.38 0.95 -0.99 6.66 1.79 -1.64 0.09 116.57 123.81 2pyq h LYS 104 Ca 0.21 -0.48 0.05 0.00 -2.18 0.00 0.00 60.65 58.25 2pyq h LYS 104 Cb 0.17 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.77 2pyq h LYS 104 CO -0.19 1.14 0.65 1.25 -1.08 0.00 0.00 179.45 181.22 2pyq h HIS 105 N 0.78 1.21 -0.35 -1.35 2.76 -1.70 -2.36 115.15 114.13 2pyq h HIS 105 Ca 0.07 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2pyq h HIS 105 Cb 0.94 -0.40 0.00 0.00 1.55 0.00 0.00 27.41 29.50 2pyq h HIS 105 CO 0.06 0.67 0.00 1.19 -1.30 0.00 0.00 177.93 178.55 2pyq n PHE 106 N -4.46 0.45 -3.51 5.26 3.72 -0.79 -4.97 117.46 113.16 2pyq n PHE 106 Ca 0.14 -0.23 -0.22 0.00 -0.05 0.00 0.00 57.45 57.09 2pyq n PHE 106 Cb 0.13 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.74 2pyq n PHE 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pyq n GLY 107 N 1.43 -0.44 1.42 1.37 0.00 -0.89 -4.92 105.19 103.16 2pyq n GLY 107 Ca 0.19 0.19 -0.05 0.00 0.00 0.00 0.00 46.02 46.34 2pyq n GLY 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pyq n LYS 108 N -4.67 2.43 0.23 1.61 4.76 -0.02 -4.65 118.16 117.84 2pyq n LYS 108 Ca -0.01 -3.07 0.12 0.00 -2.87 0.00 0.00 58.31 52.48 2pyq n LYS 108 Cb 0.56 -1.95 0.72 0.00 -1.84 0.00 0.00 35.03 32.52 2pyq n LYS 108 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2pyq h GLU 109 N 1.42 0.00 -0.48 1.97 3.07 -1.92 -1.92 114.58 116.73 2pyq h GLU 109 Ca 0.26 0.00 0.14 0.00 -0.50 0.00 0.00 59.36 59.26 2pyq h GLU 109 Cb 1.94 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.83 2pyq h GLU 109 CO 0.54 0.00 0.36 0.66 -1.40 0.00 0.00 179.01 179.17 2pyq h SER 110 N 0.00 0.00 -0.27 1.42 4.64 -1.95 -1.97 113.55 115.42 2pyq h SER 110 Ca 0.04 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.44 2pyq h SER 110 Cb 0.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2pyq h SER 110 CO -0.00 0.00 0.20 0.58 -0.87 0.00 0.00 176.83 176.74 2pyq h VAL 111 N 0.00 0.80 -0.34 0.95 2.07 -1.72 -1.57 116.25 116.44 2pyq h VAL 111 Ca 0.23 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.75 2pyq h VAL 111 Cb 0.95 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2pyq h VAL 111 CO -0.00 0.00 0.00 -1.22 0.02 0.00 0.00 177.57 176.37 2pyq n TYR 112 N -4.35 0.44 -0.86 1.57 4.01 -0.74 -5.12 117.16 112.11 2pyq n TYR 112 Ca 0.03 -0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 2pyq n TYR 112 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 2pyq n TYR 112 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81