#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyq s GLY 2 N 0.00 -0.03 0.27 -0.02 0.00 -1.26 -5.17 107.32 101.11 2pyq s GLY 2 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 44.72 44.69 2pyq s GLY 2 CO 0.00 -0.17 1.89 1.70 0.00 0.00 0.00 173.10 176.52 2pyq h LYS 3 N 3.96 1.08 0.13 2.90 1.63 -1.98 -1.15 116.57 123.13 2pyq h LYS 3 Ca -0.31 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.36 2pyq h LYS 3 Cb 1.19 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 32.61 2pyq h LYS 3 CO 0.42 0.80 -0.06 -0.09 -3.45 0.00 0.00 179.45 177.07 2pyq h ARG 4 N 1.08 -0.17 -0.78 1.90 9.65 -1.95 0.56 114.38 124.68 2pyq h ARG 4 Ca 0.27 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 59.12 2pyq h ARG 4 Cb 0.05 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.63 2pyq h ARG 4 CO -0.04 -0.07 0.34 -0.44 2.80 0.00 0.00 179.97 182.55 2pyq h ASP 5 N -0.21 1.05 -0.82 -3.80 3.32 -1.98 -1.92 116.42 112.05 2pyq h ASP 5 Ca -0.02 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.89 2pyq h ASP 5 Cb 0.17 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 2pyq h ASP 5 CO 0.03 0.91 0.52 0.44 -1.72 0.00 0.00 179.24 179.42 2pyq h ASP 6 N 1.12 0.96 0.16 6.45 3.32 -0.91 -0.94 116.42 126.59 2pyq h ASP 6 Ca 0.26 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 2pyq h ASP 6 Cb 0.17 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.48 2pyq h ASP 6 CO -0.03 0.72 -0.08 -0.07 -1.72 0.00 0.00 179.24 178.07 2pyq h LEU 7 N 1.12 -0.19 -0.88 1.55 3.38 -0.62 -0.58 115.31 119.09 2pyq h LEU 7 Ca 0.30 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2pyq h LEU 7 Cb -0.09 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 2pyq h LEU 7 CO -0.06 0.06 0.57 0.40 0.09 0.00 0.00 178.44 179.50 2pyq h ILE 8 N -0.44 1.18 -0.68 1.22 2.04 -1.27 0.76 117.51 120.33 2pyq h ILE 8 Ca -0.02 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.46 2pyq h ILE 8 Cb 0.34 -0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.33 2pyq h ILE 8 CO 0.04 0.21 0.44 0.00 0.00 0.00 0.00 178.15 178.83 2pyq h ALA 9 N 1.34 0.87 -0.42 1.87 0.00 -1.10 -0.56 119.26 121.26 2pyq h ALA 9 Ca 0.34 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 2pyq h ALA 9 Cb -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2pyq h ALA 9 CO -0.09 0.25 0.12 0.37 0.00 0.00 0.00 179.25 179.89 2pyq h GLN 10 N 0.88 0.66 -0.51 0.00 5.75 -0.41 -1.18 115.11 120.30 2pyq h GLN 10 Ca 0.26 -0.15 0.02 0.00 -0.15 0.00 0.00 58.65 58.63 2pyq h GLN 10 Cb -0.06 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 2pyq h GLN 10 CO -0.07 0.66 0.30 1.88 -2.65 0.00 0.00 178.83 178.94 2pyq h TYR 11 N 0.53 0.56 -0.68 3.99 0.05 -0.49 -0.24 116.97 120.69 2pyq h TYR 11 Ca 0.13 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.93 2pyq h TYR 11 Cb 0.29 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.81 2pyq h TYR 11 CO 0.01 0.32 0.42 0.00 -1.05 0.00 0.00 178.16 177.86 2pyq h ALA 12 N 1.23 0.87 -0.32 3.88 0.00 -0.99 -1.15 119.26 122.78 2pyq h ALA 12 Ca 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2pyq h ALA 12 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2pyq h ALA 12 CO -0.10 0.33 0.11 0.22 0.00 0.00 0.00 179.25 179.82 2pyq h ASP 13 N 0.93 0.45 -0.40 0.00 1.82 -0.82 -1.67 116.42 116.73 2pyq h ASP 13 Ca 0.25 -0.19 0.04 0.00 -0.39 0.00 0.00 57.03 56.74 2pyq h ASP 13 Cb -0.04 -0.12 -0.04 0.00 0.68 0.00 0.00 39.33 39.81 2pyq h ASP 13 CO -0.05 0.52 0.18 0.44 -1.61 0.00 0.00 179.24 178.72 2pyq h ASP 14 N 0.36 0.24 -0.30 2.28 5.19 -0.89 0.24 116.42 123.54 2pyq h ASP 14 Ca 0.10 0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.55 2pyq h ASP 14 Cb 0.22 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.70 2pyq h ASP 14 CO -0.01 0.18 0.19 -0.07 -3.12 0.00 0.00 179.24 176.41 2pyq h LEU 15 N 0.37 0.32 0.11 1.55 3.38 -1.00 0.35 115.31 120.38 2pyq h LEU 15 Ca 0.17 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2pyq h LEU 15 Cb 0.11 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2pyq h LEU 15 CO -0.14 0.23 -0.05 -0.09 0.09 0.00 0.00 178.44 178.47 2pyq h ARG 16 N 0.38 -0.14 0.00 1.13 2.43 -1.12 -2.14 114.38 114.91 2pyq h ARG 16 Ca 0.11 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2pyq h ARG 16 Cb -0.03 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2pyq h ARG 16 CO -0.04 0.34 -1.15 0.09 -1.51 0.00 0.00 179.97 177.70 2pyq n ASN 17 N -4.90 0.58 -0.11 -3.80 3.02 0.84 -2.53 115.26 108.35 2pyq n ASN 17 Ca -0.08 -0.17 -0.23 0.00 -0.03 0.00 0.00 54.58 54.07 2pyq n ASN 17 Cb 0.27 0.93 -0.08 0.00 -0.61 0.00 0.00 39.78 40.29 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 -2.05 0.47 0.00 3.52 5.02 -0.01 -4.75 118.16 120.36 2pyq n LYS 18 Ca 0.01 0.20 0.12 0.00 -2.02 0.00 0.00 58.31 56.62 2pyq n LYS 18 Cb 0.46 -1.30 0.29 0.00 -0.02 0.00 0.00 35.03 34.46 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 1.44 -1.14 3.05 0.00 0.00 -0.81 -4.97 105.19 102.75 2pyq n GLY 20 Ca 0.08 0.84 -0.31 0.00 0.00 0.00 0.00 46.02 46.62 2pyq n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pyq s GLU 22 N -2.34 2.37 0.19 1.61 0.41 -1.26 -4.99 118.70 114.68 2pyq s GLU 22 Ca 0.16 -0.89 -0.30 0.00 -0.41 0.00 0.00 54.97 53.53 2pyq s GLU 22 Cb -0.04 -2.50 -0.08 0.00 -1.78 0.00 0.00 34.13 29.72 2pyq s GLU 22 CO 0.58 -0.37 1.22 -1.25 -0.49 0.00 0.00 175.26 174.95 2pyq s PRO 23 N 1.32 4.47 0.66 0.39 0.04 -1.26 -5.03 135.00 135.60 2pyq s PRO 23 Ca -0.00 1.91 -0.04 0.00 0.04 0.00 0.00 61.00 62.91 2pyq s PRO 23 Cb -0.16 -3.23 0.05 0.00 0.04 0.00 0.00 34.50 31.21 2pyq s PRO 23 CO -0.09 -0.12 0.95 0.34 0.04 0.00 0.00 177.00 178.11 2pyq s ASP 24 N 0.18 4.94 0.00 6.66 -1.08 -1.26 -5.06 116.67 121.05 2pyq s ASP 24 Ca 0.54 0.32 0.00 0.00 -0.52 0.00 0.00 52.55 52.89 2pyq s ASP 24 Cb -0.33 -1.04 0.00 0.00 -1.46 0.00 0.00 42.92 40.09 2pyq s ASP 24 CO 0.37 -1.48 0.00 0.00 0.52 0.00 0.00 175.17 174.58 2pyq n ALA 26 N -2.76 0.00 -0.06 3.66 0.00 -1.26 -0.87 120.51 119.21 2pyq n ALA 26 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.41 2pyq n ALA 26 Cb 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.01 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 0.32 -0.88 0.00 5.85 -1.99 -2.79 115.31 115.82 2pyq h LEU 27 Ca 0.00 -0.25 0.11 0.00 0.84 0.00 0.00 57.88 58.58 2pyq h LEU 27 Cb 0.00 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 40.86 2pyq h LEU 27 CO 0.00 0.49 0.52 0.25 -0.34 0.00 0.00 178.44 179.36 2pyq h LEU 28 N 0.14 0.73 -0.71 2.25 5.85 -1.42 0.05 115.31 122.20 2pyq h LEU 28 Ca 0.06 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2pyq h LEU 28 Cb 0.31 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2pyq h LEU 28 CO 0.00 0.40 0.36 -0.08 -0.34 0.00 0.00 178.44 178.78 2pyq h GLU 29 N 0.83 1.01 -0.50 1.25 4.57 -1.80 -0.96 114.58 118.98 2pyq h GLU 29 Ca 0.44 -0.13 -0.04 0.00 -1.18 0.00 0.00 59.36 58.44 2pyq h GLU 29 Cb 0.44 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 2pyq h GLU 29 CO -0.27 0.77 0.16 0.87 -1.18 0.00 0.00 179.01 179.37 2pyq h LYS 30 N 0.98 0.78 -0.69 1.92 1.57 -1.02 -0.76 116.57 119.35 2pyq h LYS 30 Ca 0.25 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2pyq h LYS 30 Cb 0.08 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 2pyq h LYS 30 CO -0.03 0.73 0.30 0.28 -0.57 0.00 0.00 179.45 180.15 2pyq h VAL 31 N 0.68 1.24 -0.53 0.50 2.07 -0.88 -2.62 116.25 116.71 2pyq h VAL 31 Ca 0.16 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 2pyq h VAL 31 Cb 0.27 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2pyq h VAL 31 CO -0.01 0.29 0.16 0.74 0.02 0.00 0.00 177.57 178.78 2pyq h THR 32 N 0.97 1.23 -0.56 2.57 2.02 -0.89 -2.08 112.91 116.17 2pyq h THR 32 Ca 0.23 -0.79 0.07 0.00 0.77 0.00 0.00 66.41 66.69 2pyq h THR 32 Cb 0.17 0.74 -0.06 0.00 -1.74 0.00 0.00 68.15 67.26 2pyq h THR 32 CO -0.02 0.29 0.24 0.11 0.37 0.00 0.00 175.52 176.51 2pyq h LYS 33 N 0.74 0.43 0.00 6.66 1.57 -1.03 -2.32 116.57 122.62 2pyq h LYS 33 Ca 0.17 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 2pyq h LYS 33 Cb 0.28 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2pyq h LYS 33 CO -0.00 0.28 -0.18 0.78 -0.57 0.00 0.00 179.45 179.76 2pyq h GLY 34 N 0.44 0.00 1.99 3.86 0.00 -1.08 -2.59 103.07 105.70 2pyq h GLY 34 Ca 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.47 2pyq h GLY 34 CO -0.24 0.00 -0.59 0.00 0.00 0.00 0.00 176.54 175.71 2pyq n GLY 36 N 0.15 0.84 3.76 0.00 0.00 -0.98 -5.10 105.19 103.87 2pyq n GLY 36 Ca -0.01 -1.99 -0.31 0.00 0.00 0.00 0.00 46.02 43.71 2pyq n GLY 36 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pyq s PRO 37 N -1.60 2.04 0.19 1.61 0.04 -1.26 -4.62 135.00 131.41 2pyq s PRO 37 Ca 0.00 1.09 -0.33 0.00 0.04 0.00 0.00 61.00 61.81 2pyq s PRO 37 Cb 0.00 -1.88 -0.14 0.00 0.04 0.00 0.00 34.50 32.52 2pyq s PRO 37 CO 0.00 -1.78 1.41 0.00 0.04 0.00 0.00 177.00 176.67 2pyq n ALA 38 N -3.60 0.69 -2.83 8.56 0.00 -1.26 -4.97 120.51 117.10 2pyq n ALA 38 Ca 0.09 0.44 -0.36 0.00 0.00 0.00 0.00 53.44 53.61 2pyq n ALA 38 Cb 0.53 -2.24 -0.10 0.00 0.00 0.00 0.00 19.45 17.64 2pyq n ALA 38 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2pyq s ILE 39 N 0.22 4.80 -0.00 0.00 1.09 -1.26 -4.97 121.20 121.08 2pyq s ILE 39 Ca 0.73 -0.02 0.11 0.00 -1.10 0.00 0.00 60.65 60.38 2pyq s ILE 39 Cb -0.72 -3.21 -0.19 0.00 -1.06 0.00 0.00 42.46 37.29 2pyq s ILE 39 CO 0.47 0.40 0.98 1.88 -0.10 0.00 0.00 174.94 178.56 2pyq h TYR 40 N 7.33 0.00 -2.54 3.97 -1.99 -1.98 -3.43 116.97 118.33 2pyq h TYR 40 Ca -0.37 0.00 -0.61 0.00 2.00 0.00 0.00 58.73 59.75 2pyq h TYR 40 Cb 1.17 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 39.77 2pyq h TYR 40 CO 0.62 0.90 0.69 1.21 -0.00 0.00 0.00 178.16 181.58 2pyq s ASN 41 N -6.31 6.20 0.33 3.88 2.47 -1.26 -4.93 114.94 115.32 2pyq s ASN 41 Ca -0.02 -0.95 0.12 0.00 0.42 0.00 0.00 52.86 52.44 2pyq s ASN 41 Cb 0.09 -2.45 0.98 0.00 -1.45 0.00 0.00 41.25 38.42 2pyq s ASN 41 CO 0.81 -1.51 1.70 0.08 -3.72 0.00 0.00 177.10 174.47 2pyq h ARG 42 N 9.63 0.46 -0.99 0.43 0.11 -2.01 -1.78 114.38 120.24 2pyq h ARG 42 Ca -0.25 -0.03 0.12 0.00 0.10 0.00 0.00 59.98 59.93 2pyq h ARG 42 Cb 1.06 -0.10 -0.08 0.00 1.11 0.00 0.00 29.97 31.96 2pyq h ARG 42 CO 1.21 0.30 0.62 -0.44 0.10 0.00 0.00 179.97 181.76 2pyq h ASP 43 N 0.47 0.89 1.64 0.08 3.32 -1.96 -2.44 116.42 118.42 2pyq h ASP 43 Ca 0.68 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.78 2pyq h ASP 43 Cb 1.43 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2pyq h ASP 43 CO -0.52 0.47 0.00 0.00 -1.72 0.00 0.00 179.24 177.47 2pyq h ALA 44 N 1.55 1.00 -0.02 3.45 0.00 -1.75 -3.28 119.26 120.22 2pyq h ALA 44 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2pyq h ALA 44 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2pyq h ALA 44 CO -0.26 0.00 -0.20 -1.13 0.00 0.00 0.00 179.25 177.66 2pyq n SER 45 N -2.82 1.84 -4.64 0.00 3.41 -0.92 -4.97 113.62 105.52 2pyq n SER 45 Ca 0.04 -1.44 -0.25 0.00 -0.26 0.00 0.00 58.87 56.96 2pyq n SER 45 Cb 0.45 0.17 -0.08 0.00 -0.26 0.00 0.00 64.21 64.49 2pyq n SER 45 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2pyq s THR 46 N -2.27 3.48 -0.14 6.66 -4.23 -1.21 -0.86 115.64 117.06 2pyq s THR 46 Ca 0.27 -1.71 -0.04 0.00 -1.18 0.00 0.00 61.69 59.02 2pyq s THR 46 Cb 0.19 -2.80 -0.03 0.00 1.34 0.00 0.00 72.50 71.20 2pyq s THR 46 CO 0.44 -0.24 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.58 2pyq s VAL 47 N -2.02 4.12 -0.74 2.29 1.01 0.10 -4.76 120.40 120.40 2pyq s VAL 47 Ca 0.29 -0.29 -0.25 0.00 0.00 0.00 0.00 61.98 61.74 2pyq s VAL 47 Cb -0.08 -2.80 0.05 0.00 0.00 0.00 0.00 36.38 33.56 2pyq s VAL 47 CO 0.19 0.51 1.16 0.00 0.00 0.00 0.00 175.10 176.96 2pyq s ALA 48 N 0.10 2.92 0.49 5.51 0.00 -1.26 -4.41 121.76 125.10 2pyq s ALA 48 Ca 0.01 -1.68 0.16 0.00 0.00 0.00 0.00 51.96 50.45 2pyq s ALA 48 Cb -0.13 -4.11 1.19 0.00 0.00 0.00 0.00 23.12 20.07 2pyq s ALA 48 CO 0.02 -3.10 2.07 0.78 0.00 0.00 0.00 175.76 175.53 2pyq h GLY 49 N 12.24 0.20 -1.32 0.00 0.00 -1.95 -2.48 103.07 109.76 2pyq h GLY 49 Ca -0.23 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2pyq h GLY 49 CO 1.24 0.05 0.00 -1.14 0.00 0.00 0.00 176.54 176.70 2pyq n SER 50 N -4.48 2.06 -4.45 0.19 3.41 -1.26 -4.84 113.62 104.25 2pyq n SER 50 Ca 0.03 -1.92 -0.41 0.00 -0.26 0.00 0.00 58.87 56.31 2pyq n SER 50 Cb 0.26 -0.22 -0.11 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.17 5.89 0.17 4.04 2.15 -0.93 -4.99 116.67 121.83 2pyq s ASP 51 Ca 0.29 -0.75 -0.18 0.00 0.43 0.00 0.00 52.55 52.34 2pyq s ASP 51 Cb 0.15 -2.09 0.11 0.00 -0.30 0.00 0.00 42.92 40.79 2pyq s ASP 51 CO 0.21 -0.34 1.65 0.74 -0.17 0.00 0.00 175.17 177.26 2pyq h THR 52 N 5.68 0.49 -0.46 1.71 2.02 -1.88 -2.38 112.91 118.09 2pyq h THR 52 Ca -0.28 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 2pyq h THR 52 Cb 1.13 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 2pyq h THR 52 CO 0.67 0.00 0.15 0.00 0.37 0.00 0.00 175.52 176.71 2pyq h ALA 53 N 1.29 1.40 -0.52 6.16 0.00 -1.97 -0.61 119.26 125.02 2pyq h ALA 53 Ca 0.20 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2pyq h ALA 53 Cb 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2pyq h ALA 53 CO -0.46 0.44 -0.16 1.49 0.00 0.00 0.00 179.25 180.56 2pyq h GLU 54 N 0.66 1.02 -0.40 0.00 4.57 -1.78 -0.38 114.58 118.27 2pyq h GLU 54 Ca 0.16 -0.40 -0.13 0.00 -1.18 0.00 0.00 59.36 57.80 2pyq h GLU 54 Cb 0.19 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2pyq h GLU 54 CO -0.01 1.09 -0.26 -0.07 -1.18 0.00 0.00 179.01 178.58 2pyq h LEU 55 N 0.89 0.86 -1.41 1.64 3.38 -1.05 -1.70 115.31 117.93 2pyq h LEU 55 Ca 0.13 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2pyq h LEU 55 Cb 0.73 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2pyq h LEU 55 CO 0.06 1.07 0.03 -0.33 0.09 0.00 0.00 178.44 179.36 2pyq h GLU 56 N 0.72 0.42 -0.30 1.13 4.39 -0.75 -1.53 114.58 118.65 2pyq h GLU 56 Ca 0.09 -0.07 -0.18 0.00 0.34 0.00 0.00 59.36 59.54 2pyq h GLU 56 Cb 0.80 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 2pyq h GLU 56 CO 0.07 0.43 -0.53 1.15 -1.16 0.00 0.00 179.01 178.96 2pyq h THR 57 N 0.41 1.27 -0.64 1.13 2.02 -0.77 -0.77 112.91 115.56 2pyq h THR 57 Ca 0.10 -1.71 -0.04 0.00 0.77 0.00 0.00 66.41 65.52 2pyq h THR 57 Cb 0.23 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 2pyq h THR 57 CO 0.00 0.56 0.22 0.40 0.37 0.00 0.00 175.52 177.08 2pyq h ILE 58 N 0.69 1.24 0.04 3.11 2.04 -1.06 0.21 117.51 123.78 2pyq h ILE 58 Ca 0.02 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 2pyq h ILE 58 Cb 1.14 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 2pyq h ILE 58 CO 0.12 0.31 -0.02 0.50 0.00 0.00 0.00 178.15 179.06 2pyq h LYS 59 N 0.91 -0.05 -0.01 2.37 3.64 -1.17 -0.65 116.57 121.61 2pyq h LYS 59 Ca 0.21 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 2pyq h LYS 59 Cb 0.25 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2pyq h LYS 59 CO -0.01 0.03 -0.28 1.57 -2.27 0.00 0.00 179.45 178.49 2pyq h LYS 60 N -0.11 0.22 0.13 1.90 2.10 -1.03 -3.16 116.57 116.62 2pyq h LYS 60 Ca -0.00 -0.21 -0.32 0.00 -2.00 0.00 0.00 60.65 58.11 2pyq h LYS 60 Cb 0.10 0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.48 2pyq h LYS 60 CO 0.01 0.92 -1.62 -0.91 -2.00 0.00 0.00 179.45 175.85 2pyq h ASN 61 N -0.41 0.41 0.00 7.07 2.35 -0.67 -1.87 115.58 122.47 2pyq h ASN 61 Ca -0.03 -0.62 -0.02 0.00 -0.55 0.00 0.00 56.30 55.08 2pyq h ASN 61 Cb 1.01 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 39.24 2pyq h ASN 61 CO 0.06 1.52 -0.81 0.33 -1.65 0.00 0.00 177.43 176.88 2pyq n PHE 62 N -3.46 0.52 0.41 1.19 7.35 -0.36 -2.99 117.46 120.12 2pyq n PHE 62 Ca -0.19 0.22 0.03 0.00 -0.76 0.00 0.00 57.45 56.75 2pyq n PHE 62 Cb 1.05 -0.68 0.16 0.00 0.35 0.00 0.00 39.48 40.36 2pyq n PHE 62 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2pyq n LEU 63 N -4.53 0.00 0.00 -2.13 4.77 -0.55 -0.98 117.00 113.58 2pyq n LEU 63 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2pyq n LEU 63 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2pyq n LEU 63 CO 0.15 0.00 0.00 2.29 -1.33 0.00 0.00 177.39 178.50 2pyq n LYS 65 N -0.91 0.00 -0.10 3.23 0.00 -0.70 -1.21 118.16 118.47 2pyq n LYS 65 Ca 0.04 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.17 2pyq n LYS 65 Cb 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 35.03 34.96 2pyq n LYS 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2pyq n LYS 66 N 0.00 0.54 0.05 -1.58 4.76 -0.76 -4.33 118.16 116.84 2pyq n LYS 66 Ca 0.00 0.53 0.12 0.00 -2.87 0.00 0.00 58.31 56.09 2pyq n LYS 66 Cb 0.00 -1.70 0.49 0.00 -1.84 0.00 0.00 35.03 31.98 2pyq n LYS 66 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2pyq n LEU 67 N -4.46 0.34 -0.36 -0.35 4.77 -0.15 -4.94 117.00 111.86 2pyq n LEU 67 Ca -0.28 0.54 -0.05 0.00 -0.03 0.00 0.00 56.01 56.20 2pyq n LEU 67 Cb 0.60 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 2pyq n LEU 67 CO 0.15 -0.16 -0.04 0.61 -1.33 0.00 0.00 177.39 176.62 2pyq n GLY 68 N 1.03 0.73 3.81 -0.72 0.00 -0.92 -5.03 105.19 104.09 2pyq n GLY 68 Ca 0.05 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.06 4.09 0.54 0.99 1.43 -0.35 -5.01 118.68 119.33 2pyq s LEU 69 Ca 0.00 1.70 -0.14 0.00 -1.03 0.00 0.00 54.13 54.65 2pyq s LEU 69 Cb 0.00 -4.30 -0.07 0.00 0.03 0.00 0.00 46.19 41.86 2pyq s LEU 69 CO 0.00 -0.24 0.99 0.00 0.23 0.00 0.00 176.35 177.33 2pyq s ALA 70 N -1.96 3.09 -0.11 4.21 0.00 -1.26 -4.78 121.76 120.95 2pyq s ALA 70 Ca 0.57 0.08 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 2pyq s ALA 70 Cb -0.12 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 2pyq s ALA 70 CO 0.17 -0.37 1.57 0.34 0.00 0.00 0.00 175.76 177.47 2pyq s ASP 71 N -3.43 6.66 0.09 0.00 -1.08 -1.26 -4.85 116.67 112.80 2pyq s ASP 71 Ca 0.57 2.01 -0.26 0.00 -0.52 0.00 0.00 52.55 54.34 2pyq s ASP 71 Cb -0.10 -2.53 0.08 0.00 -1.46 0.00 0.00 42.92 38.90 2pyq s ASP 71 CO 0.39 -0.96 0.93 -0.94 0.52 0.00 0.00 175.17 175.10 2pyq s SER 72 N 3.27 -0.26 0.40 -0.34 1.04 -1.26 -5.03 113.70 111.52 2pyq s SER 72 Ca 0.69 -0.24 0.11 0.00 0.48 0.00 0.00 55.95 57.00 2pyq s SER 72 Cb -0.29 0.45 0.92 0.00 0.10 0.00 0.00 66.02 67.19 2pyq s SER 72 CO 0.26 -0.79 1.93 -0.08 0.98 0.00 0.00 173.24 175.54 2pyq h GLU 73 N 2.00 0.55 -0.05 4.02 4.57 -2.06 -1.81 114.58 121.80 2pyq h GLU 73 Ca -0.24 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 57.93 2pyq h GLU 73 Cb 1.24 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.70 2pyq h GLU 73 CO 0.28 0.36 0.06 0.66 -1.18 0.00 0.00 179.01 179.18 2pyq h SER 74 N 0.56 0.00 0.00 1.04 4.64 -1.95 -1.77 113.55 116.07 2pyq h SER 74 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2pyq h SER 74 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2pyq h SER 74 CO -0.12 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.02 2pyq n LEU 75 N -3.86 0.15 0.00 5.97 4.77 -0.68 -0.72 117.00 122.63 2pyq n LEU 75 Ca -0.02 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2pyq n LEU 75 Cb 0.15 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2pyq n LEU 75 CO 0.28 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2pyq n GLY 77 N 0.07 0.00 0.27 -0.72 0.00 -0.67 -1.31 105.19 102.84 2pyq n GLY 77 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 1.00 0.92 -0.02 0.00 -1.18 -1.08 103.07 102.71 2pyq h GLY 78 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 2pyq h GLY 78 CO 0.00 0.68 0.10 -2.22 0.00 0.00 0.00 176.54 175.10 2pyq h ILE 79 N 0.79 1.14 -0.75 2.60 2.04 -1.46 -1.59 117.51 120.28 2pyq h ILE 79 Ca 0.15 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.63 2pyq h ILE 79 Cb 0.54 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 2pyq h ILE 79 CO 0.03 0.13 0.49 1.56 0.00 0.00 0.00 178.15 180.36 2pyq h GLN 80 N 0.21 0.96 0.01 2.37 4.20 -1.80 -1.28 115.11 119.78 2pyq h GLN 80 Ca 0.07 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2pyq h GLN 80 Cb 0.12 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 2pyq h GLN 80 CO -0.01 0.64 -0.02 1.03 -0.67 0.00 0.00 178.83 179.80 2pyq h SER 81 N 0.99 -0.05 -0.61 1.46 0.87 -0.98 -0.72 113.55 114.51 2pyq h SER 81 Ca 0.29 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 2pyq h SER 81 Cb -0.07 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 2pyq h SER 81 CO -0.08 -0.03 0.32 0.58 -0.53 0.00 0.00 176.83 177.09 2pyq h VAL 82 N -0.04 1.20 -0.60 2.23 2.07 -1.05 -0.57 116.25 119.50 2pyq h VAL 82 Ca 0.01 -0.54 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 2pyq h VAL 82 Cb 0.04 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 2pyq h VAL 82 CO -0.01 0.23 0.10 0.40 0.02 0.00 0.00 177.57 178.30 2pyq h ILE 83 N 0.83 1.26 -0.62 4.57 1.08 -1.08 -0.87 117.51 122.68 2pyq h ILE 83 Ca 0.21 -0.99 -0.05 0.00 -0.39 0.00 0.00 64.86 63.65 2pyq h ILE 83 Cb 0.07 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 34.53 2pyq h ILE 83 CO -0.03 0.37 0.21 -0.08 -0.69 0.00 0.00 178.15 177.92 2pyq h GLU 84 N 0.90 0.95 -0.40 2.37 4.57 -0.87 -1.63 114.58 120.48 2pyq h GLU 84 Ca 0.18 -0.20 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2pyq h GLU 84 Cb 0.42 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 2pyq h GLU 84 CO 0.01 0.83 0.24 1.15 -1.18 0.00 0.00 179.01 180.07 2pyq h THR 85 N 0.88 1.13 -0.89 0.32 2.02 -0.84 -2.54 112.91 113.00 2pyq h THR 85 Ca 0.20 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 2pyq h THR 85 Cb 0.27 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 2pyq h THR 85 CO -0.01 0.13 0.50 0.22 0.37 0.00 0.00 175.52 176.73 2pyq h TYR 86 N 0.53 1.22 0.00 3.16 5.03 -1.00 -3.41 116.97 122.50 2pyq h TYR 86 Ca 0.15 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.43 2pyq h TYR 86 Cb 0.00 -0.39 0.00 0.00 1.55 0.00 0.00 36.73 37.89 2pyq h TYR 86 CO -0.03 0.84 0.00 0.41 -1.32 0.00 0.00 178.16 178.05 2pyq n GLY 87 N -1.14 3.79 0.36 1.82 0.00 -0.63 -4.71 105.19 104.69 2pyq n GLY 87 Ca 0.09 -1.39 0.03 0.00 0.00 0.00 0.00 46.02 44.75 2pyq n GLY 87 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pyq h ARG 88 N 0.00 1.02 0.00 1.61 -0.00 -1.77 -2.29 114.38 112.95 2pyq h ARG 88 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.98 59.42 2pyq h ARG 88 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 29.97 29.74 2pyq h ARG 88 CO 0.00 0.67 0.00 0.43 0.00 0.00 0.00 179.97 181.07 2pyq n SER 89 N -4.47 0.00 -4.62 7.04 7.64 -1.26 -4.79 113.62 113.16 2pyq n SER 89 Ca 0.13 0.31 -0.43 0.00 1.01 0.00 0.00 58.87 59.89 2pyq n SER 89 Cb 0.16 -0.43 -0.03 0.00 -1.01 0.00 0.00 64.21 62.90 2pyq n SER 89 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2pyq s GLU 90 N -2.85 3.96 0.00 1.43 2.56 -0.86 -4.91 118.70 118.03 2pyq s GLU 90 Ca 0.15 0.78 0.24 0.00 0.00 0.00 0.00 54.97 56.15 2pyq s GLU 90 Cb 0.15 -3.76 0.39 0.00 2.00 0.00 0.00 34.13 32.91 2pyq s GLU 90 CO 0.39 -0.87 1.34 0.54 -0.56 0.00 0.00 175.26 176.09 2pyq n ARG 91 N 6.70 0.01 -3.42 4.30 1.74 -1.26 -4.40 116.66 120.33 2pyq n ARG 91 Ca 0.08 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.89 2pyq n ARG 91 Cb 0.48 -1.51 -0.08 0.00 -1.02 0.00 0.00 32.46 30.33 2pyq n ARG 91 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2pyq n ASN 92 N -1.53 3.88 -4.54 0.55 3.02 -1.26 -4.97 115.26 110.41 2pyq n ASN 92 Ca 0.05 -3.44 -0.42 0.00 -0.03 0.00 0.00 54.58 50.75 2pyq n ASN 92 Cb 0.34 -0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 38.77 2pyq n ASN 92 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2pyq s LYS 93 N -2.46 3.23 0.17 3.52 1.02 -1.26 -5.00 119.74 118.97 2pyq s LYS 93 Ca 0.39 -0.27 -0.31 0.00 0.02 0.00 0.00 55.97 55.81 2pyq s LYS 93 Cb 0.14 -4.16 -0.09 0.00 -0.52 0.00 0.00 37.83 33.20 2pyq s LYS 93 CO -0.01 -1.99 1.39 0.71 -0.92 0.00 0.00 175.35 174.52 2pyq s TYR 94 N 5.25 3.19 0.31 3.18 2.02 -1.26 0.01 117.35 130.05 2pyq s TYR 94 Ca 0.34 1.03 0.01 0.00 -0.37 0.00 0.00 57.07 58.08 2pyq s TYR 94 Cb -0.10 -3.70 0.50 0.00 -0.40 0.00 0.00 41.96 38.26 2pyq s TYR 94 CO 0.16 -2.34 1.86 -0.09 -1.57 0.00 0.00 175.55 173.57 2pyq h ARG 95 N 5.95 0.72 -1.00 -0.62 2.43 -1.30 -1.28 114.38 119.28 2pyq h ARG 95 Ca -0.44 -0.14 0.03 0.00 -0.81 0.00 0.00 59.98 58.62 2pyq h ARG 95 Cb 1.21 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.59 2pyq h ARG 95 CO 0.82 0.65 0.66 0.00 -1.51 0.00 0.00 179.97 180.59 2pyq h ALA 96 N 1.43 1.32 -0.38 2.80 0.00 -1.91 0.13 119.26 122.64 2pyq h ALA 96 Ca 0.16 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2pyq h ALA 96 Cb 0.26 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2pyq h ALA 96 CO -0.00 0.60 -0.10 0.28 0.00 0.00 0.00 179.25 180.03 2pyq h VAL 97 N 1.31 1.28 -0.32 0.00 2.07 -1.75 -0.10 116.25 118.73 2pyq h VAL 97 Ca 0.39 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 2pyq h VAL 97 Cb -0.07 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2pyq h VAL 97 CO -0.10 0.39 0.16 0.58 0.02 0.00 0.00 177.57 178.62 2pyq h VAL 98 N 0.55 1.15 -0.66 2.57 2.07 -0.72 -2.96 116.25 118.26 2pyq h VAL 98 Ca 0.10 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 2pyq h VAL 98 Cb 0.62 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2pyq h VAL 98 CO 0.04 0.16 0.30 1.88 0.02 0.00 0.00 177.57 179.97 2pyq h TYR 99 N 0.39 0.96 0.00 1.57 -1.99 -0.66 -0.65 116.97 116.58 2pyq h TYR 99 Ca 0.11 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.79 2pyq h TYR 99 Cb 0.10 -0.29 0.00 0.00 2.00 0.00 0.00 36.73 38.54 2pyq h TYR 99 CO -0.02 0.73 0.00 0.98 -0.00 0.00 0.00 178.16 179.85 2pyq n TYR 100 N -4.46 0.00 0.00 4.88 4.19 -0.06 -1.20 117.16 120.51 2pyq n TYR 100 Ca 0.05 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.26 2pyq n TYR 100 Cb 0.14 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.97 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 0.41 0.00 -0.04 2.98 4.77 -0.25 -1.61 117.00 123.25 2pyq n LEU 102 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2pyq n LEU 102 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2pyq n LEU 102 CO 0.00 0.00 0.87 0.74 -1.33 0.00 0.00 177.39 177.67 2pyq h THR 103 N 0.00 0.87 -0.30 -5.08 2.02 -1.41 -1.35 112.91 107.65 2pyq h THR 103 Ca 0.00 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.21 2pyq h THR 103 Cb 0.00 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.16 2pyq h THR 103 CO 0.00 0.01 -0.01 0.11 0.37 0.00 0.00 175.52 176.00 2pyq h LYS 104 N 0.07 0.07 -0.85 6.66 1.79 -1.57 -0.09 116.57 122.66 2pyq h LYS 104 Ca 0.09 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2pyq h LYS 104 Cb 0.11 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.70 2pyq h LYS 104 CO -0.15 0.05 0.52 1.25 -1.08 0.00 0.00 179.45 180.04 2pyq h HIS 105 N 0.08 1.10 -0.18 -1.35 2.76 -1.72 -2.24 115.15 113.60 2pyq h HIS 105 Ca 0.15 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 2pyq h HIS 105 Cb 0.20 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 28.79 2pyq h HIS 105 CO -0.23 0.73 0.00 1.19 -1.30 0.00 0.00 177.93 178.32 2pyq n PHE 106 N -4.38 0.22 -2.90 5.26 3.72 -0.55 -4.97 117.46 113.86 2pyq n PHE 106 Ca 0.09 -0.11 -0.18 0.00 -0.05 0.00 0.00 57.45 57.20 2pyq n PHE 106 Cb 0.06 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.63 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 1.27 -0.27 1.38 1.37 0.00 -0.76 -4.93 105.19 103.25 2pyq n GLY 107 Ca 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.41 2.89 -0.31 1.61 4.76 -0.12 -4.69 118.16 118.88 2pyq n LYS 108 Ca -0.08 -3.03 0.02 0.00 -2.87 0.00 0.00 58.31 52.35 2pyq n LYS 108 Cb 0.59 -1.98 0.16 0.00 -1.84 0.00 0.00 35.03 31.96 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 1.85 0.90 0.00 1.97 3.07 -1.92 -2.45 114.58 118.00 2pyq h GLU 109 Ca 0.17 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.98 2pyq h GLU 109 Cb 1.86 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 29.56 2pyq h GLU 109 CO 0.47 0.60 -0.01 0.66 -1.40 0.00 0.00 179.01 179.33 2pyq h SER 110 N 0.93 0.00 0.15 1.42 4.64 -1.96 -2.36 113.55 116.36 2pyq h SER 110 Ca 0.39 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.69 2pyq h SER 110 Cb 0.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2pyq h SER 110 CO -0.20 0.01 -0.11 -0.37 -0.87 0.00 0.00 176.83 175.28 2pyq h VAL 111 N 0.00 0.96 0.00 0.95 -1.51 -1.82 -2.00 116.25 112.82 2pyq h VAL 111 Ca -0.00 -0.41 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 2pyq h VAL 111 Cb 0.13 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 2pyq h VAL 111 CO 0.00 0.11 0.00 -1.22 -1.23 0.00 0.00 177.57 175.23 2pyq n TYR 112 N -4.22 0.81 -0.56 5.19 4.01 -0.89 -5.15 117.16 116.35 2pyq n TYR 112 Ca -0.03 0.26 0.00 0.00 -0.16 0.00 0.00 57.90 57.97 2pyq n TYR 112 Cb 0.19 -0.92 0.00 0.00 -0.31 0.00 0.00 39.34 38.30 2pyq n TYR 112 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81