#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3o s LEU 22 N 0.00 -0.36 -0.19 7.52 2.34 -1.26 -5.16 118.68 121.58 1p3o s LEU 22 Ca 0.00 0.16 -0.10 0.00 0.06 0.00 0.00 54.13 54.25 1p3o s LEU 22 Cb 0.00 1.27 -0.08 0.00 -0.56 0.00 0.00 46.19 46.82 1p3o s LEU 22 CO 0.00 -0.07 -0.25 -2.11 -1.06 0.00 0.00 176.35 172.87 1p3o n ARG 23 N 5.36 0.40 0.00 1.48 -4.01 -1.26 -5.15 116.66 113.48 1p3o n ARG 23 Ca -0.02 0.18 0.00 0.00 -1.04 0.00 0.00 57.85 56.96 1p3o n ARG 23 Cb 0.55 -1.18 0.00 0.00 -3.04 0.00 0.00 32.46 28.79 1p3o n ARG 23 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 1p3o n ASP 24 N -3.86 0.00 -0.04 2.89 -0.08 -1.26 -4.95 116.55 109.24 1p3o n ASP 24 Ca -0.37 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 52.77 1p3o n ASP 24 Cb 0.76 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 44.10 1p3o n ASP 24 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1p3o h ASN 25 N 0.00 0.04 -0.15 1.67 2.35 -2.01 -2.87 115.58 114.61 1p3o h ASN 25 Ca 0.00 -0.76 -0.00 0.00 -0.55 0.00 0.00 56.30 54.98 1p3o h ASN 25 Cb 0.00 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1p3o h ASN 25 CO 0.00 0.80 0.09 -0.29 -1.65 0.00 0.00 177.43 176.38 1p3o h ILE 26 N -0.71 1.05 0.00 2.81 6.09 -1.97 0.56 117.51 125.35 1p3o h ILE 26 Ca -0.00 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.35 1p3o h ILE 26 Cb 0.80 0.83 0.00 0.00 0.47 0.00 0.00 36.82 38.93 1p3o h ILE 26 CO 0.01 0.06 0.00 0.00 -3.07 0.00 0.00 178.15 175.15 1p3o n GLN 27 N -4.49 0.10 0.19 2.19 1.13 -1.22 -1.36 117.38 113.92 1p3o n GLN 27 Ca -0.01 0.30 0.03 0.00 -1.94 0.00 0.00 57.00 55.39 1p3o n GLN 27 Cb 0.09 -1.68 0.37 0.00 0.11 0.00 0.00 30.24 29.13 1p3o n GLN 27 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1p3o h GLY 28 N 2.74 0.00 -7.30 1.08 0.00 0.38 -3.34 103.07 96.64 1p3o h GLY 28 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 1p3o h GLY 28 CO 0.00 0.00 1.20 -0.42 0.00 0.00 0.00 176.54 177.32 1p3o s ILE 29 N -4.11 3.73 0.57 2.60 -1.09 -0.46 -4.95 121.20 117.49 1p3o s ILE 29 Ca -0.02 0.03 -0.11 0.00 -2.23 0.00 0.00 60.65 58.32 1p3o s ILE 29 Cb 0.14 -4.84 -0.05 0.00 -1.58 0.00 0.00 42.46 36.13 1p3o s ILE 29 CO 0.71 -1.76 0.96 0.42 -1.23 0.00 0.00 174.94 174.04 1p3o s THR 30 N 5.99 4.73 0.16 2.92 -4.23 -1.25 -4.88 115.64 119.06 1p3o s THR 30 Ca 0.42 0.78 -0.19 0.00 -1.18 0.00 0.00 61.69 61.52 1p3o s THR 30 Cb -0.06 -3.84 0.06 0.00 1.34 0.00 0.00 72.50 70.00 1p3o s THR 30 CO 0.08 -0.99 1.66 0.50 -0.54 0.00 0.00 174.62 175.33 1p3o h LYS 31 N 0.05 -0.07 -0.98 3.99 3.64 -1.92 0.25 116.57 121.53 1p3o h LYS 31 Ca -0.45 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.07 1p3o h LYS 31 Cb 1.19 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.94 1p3o h LYS 31 CO 0.62 -0.05 0.60 -1.35 -2.27 0.00 0.00 179.45 177.00 1p3o h PRO 32 N -0.08 0.87 -0.03 1.90 0.11 -1.98 0.72 132.00 133.51 1p3o h PRO 32 Ca 0.16 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 1p3o h PRO 32 Cb 0.33 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 1p3o h PRO 32 CO -0.38 0.58 -0.02 0.00 -0.21 0.00 0.00 178.00 177.97 1p3o h ALA 33 N 1.56 0.04 -0.54 -0.75 0.00 -1.60 -1.15 119.26 116.82 1p3o h ALA 33 Ca 0.51 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1p3o h ALA 33 Cb 0.60 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1p3o h ALA 33 CO -0.30 -0.22 0.36 0.82 0.00 0.00 0.00 179.25 179.91 1p3o h ILE 34 N -0.37 1.13 -0.26 0.00 2.04 0.33 -0.78 117.51 119.60 1p3o h ILE 34 Ca 0.01 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1p3o h ILE 34 Cb 0.47 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1p3o h ILE 34 CO 0.00 0.13 0.05 -0.09 0.00 0.00 0.00 178.15 178.25 1p3o h ARG 35 N 0.72 0.43 -0.38 2.37 2.43 0.54 -1.44 114.38 119.05 1p3o h ARG 35 Ca 0.20 -0.11 0.06 0.00 -0.81 0.00 0.00 59.98 59.32 1p3o h ARG 35 Cb -0.07 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.38 1p3o h ARG 35 CO -0.04 0.54 0.08 0.00 -1.51 0.00 0.00 179.97 179.03 1p3o h ARG 36 N 0.25 0.21 0.08 0.20 3.08 0.08 0.24 114.38 118.52 1p3o h ARG 36 Ca 0.08 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.14 1p3o h ARG 36 Cb 0.31 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 1p3o h ARG 36 CO 0.00 0.14 -0.40 -0.07 -1.07 0.00 0.00 179.97 178.57 1p3o h LEU 37 N 0.21 -1.18 -1.37 3.04 3.38 -0.97 0.08 115.31 118.51 1p3o h LEU 37 Ca 0.18 0.14 0.24 0.00 0.09 0.00 0.00 57.88 58.53 1p3o h LEU 37 Cb 0.21 0.45 -0.09 0.00 0.09 0.00 0.00 40.66 41.32 1p3o h LEU 37 CO -0.23 -0.46 0.65 0.00 0.09 0.00 0.00 178.44 178.48 1p3o h ALA 38 N -0.06 2.17 -0.18 1.53 0.00 -0.67 -1.24 119.26 120.81 1p3o h ALA 38 Ca 0.03 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1p3o h ALA 38 Cb 0.65 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1p3o h ALA 38 CO -0.26 -0.53 -0.02 0.00 0.00 0.00 0.00 179.25 178.43 1p3o h ARG 39 N 0.44 0.34 0.00 0.00 2.47 0.95 -0.30 114.38 118.28 1p3o h ARG 39 Ca 0.56 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 59.15 1p3o h ARG 39 Cb 1.35 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.64 1p3o h ARG 39 CO -0.27 0.57 -0.04 -0.09 0.56 0.00 0.00 179.97 180.71 1p3o h ARG 40 N 0.07 0.00 -0.00 0.04 2.43 -0.21 0.40 114.38 117.11 1p3o h ARG 40 Ca 0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1p3o h ARG 40 Cb 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1p3o h ARG 40 CO 0.01 0.04 0.00 0.41 -1.51 0.00 0.00 179.97 178.92 1p3o n GLY 41 N -1.22 -0.86 1.73 2.80 0.00 -0.59 -4.91 105.19 102.15 1p3o n GLY 41 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1p3o n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p3o n GLY 42 N 1.01 0.50 3.69 -0.02 0.00 0.14 -5.04 105.19 105.48 1p3o n GLY 42 Ca 0.23 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1p3o n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p3o s ALA 43 N -2.00 3.40 -0.06 4.61 0.00 -0.20 -4.95 121.76 122.55 1p3o s ALA 43 Ca 0.00 0.33 -0.07 0.00 0.00 0.00 0.00 51.96 52.22 1p3o s ALA 43 Cb 0.00 -3.38 -0.29 0.00 0.00 0.00 0.00 23.12 19.45 1p3o s ALA 43 CO 0.00 -0.56 0.60 -0.22 0.00 0.00 0.00 175.76 175.58 1p3o h LYS 44 N 7.09 0.32 -4.12 0.00 3.64 -1.95 -3.41 116.57 118.14 1p3o h LYS 44 Ca -0.32 -0.54 -0.44 0.00 -1.27 0.00 0.00 60.65 58.07 1p3o h LYS 44 Cb 1.15 0.20 -0.34 0.00 -0.41 0.00 0.00 32.23 32.83 1p3o h LYS 44 CO 0.84 1.22 -0.78 0.50 -2.27 0.00 0.00 179.45 178.96 1p3o s ARG 45 N -2.58 1.05 -0.26 1.90 3.52 -1.26 -5.14 118.95 116.18 1p3o s ARG 45 Ca -0.17 -0.16 -0.03 0.00 -0.13 0.00 0.00 55.73 55.24 1p3o s ARG 45 Cb 0.06 -1.02 0.02 0.00 -1.56 0.00 0.00 34.95 32.45 1p3o s ARG 45 CO 0.83 -0.09 -0.03 0.42 -0.81 0.00 0.00 175.30 175.62 1p3o s ILE 46 N 1.00 3.15 0.63 4.11 1.01 -1.26 -5.10 121.20 124.74 1p3o s ILE 46 Ca -0.09 -0.93 -0.18 0.00 0.00 0.00 0.00 60.65 59.45 1p3o s ILE 46 Cb -0.14 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 1p3o s ILE 46 CO -0.00 0.17 0.93 -0.24 0.00 0.00 0.00 174.94 175.81 1p3o n SER 47 N 4.72 0.58 0.15 3.58 2.88 -1.26 -4.88 113.62 119.39 1p3o n SER 47 Ca -0.16 0.77 0.04 0.00 -1.33 0.00 0.00 58.87 58.18 1p3o n SER 47 Cb 0.47 -1.38 0.44 0.00 -0.75 0.00 0.00 64.21 62.99 1p3o n SER 47 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1p3o h GLY 48 N 0.30 0.19 2.00 0.46 0.00 -2.06 -2.72 103.07 101.25 1p3o h GLY 48 Ca -0.48 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1p3o h GLY 48 CO 0.50 0.10 0.00 1.04 0.00 0.00 0.00 176.54 178.18 1p3o n LEU 49 N -4.32 0.37 -0.16 3.11 4.77 -1.26 -3.92 117.00 115.59 1p3o n LEU 49 Ca -0.01 0.55 -0.04 0.00 -0.03 0.00 0.00 56.01 56.48 1p3o n LEU 49 Cb 0.23 -0.45 0.05 0.00 -2.33 0.00 0.00 43.42 40.92 1p3o n LEU 49 CO 0.37 -0.19 0.99 0.40 -1.33 0.00 0.00 177.39 177.63 1p3o h ILE 50 N 0.00 0.89 -0.46 -0.08 1.08 -1.84 -2.93 117.51 114.16 1p3o h ILE 50 Ca 0.00 -0.14 0.09 0.00 -0.39 0.00 0.00 64.86 64.42 1p3o h ILE 50 Cb 0.51 0.44 -0.09 0.00 -3.07 0.00 0.00 36.82 34.62 1p3o h ILE 50 CO 0.00 0.08 -0.11 1.88 -0.69 0.00 0.00 178.15 179.30 1p3o h TYR 51 N 0.41 -0.24 -0.30 1.37 0.05 -1.79 0.20 116.97 116.69 1p3o h TYR 51 Ca 0.23 0.04 -0.14 0.00 0.05 0.00 0.00 58.73 58.91 1p3o h TYR 51 Cb 0.19 0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 1p3o h TYR 51 CO -0.13 -0.20 -0.38 0.93 -1.05 0.00 0.00 178.16 177.33 1p3o h GLU 52 N 0.00 0.69 -0.69 4.88 4.39 -1.81 -2.27 114.58 119.77 1p3o h GLU 52 Ca 0.22 -0.35 0.02 0.00 0.34 0.00 0.00 59.36 59.59 1p3o h GLU 52 Cb 0.34 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.95 1p3o h GLU 52 CO -0.47 0.96 0.45 1.49 -1.16 0.00 0.00 179.01 180.27 1p3o h GLU 53 N 0.57 0.87 0.11 2.33 4.57 -1.10 -2.42 114.58 119.51 1p3o h GLU 53 Ca 0.05 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1p3o h GLU 53 Cb 0.91 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 1p3o h GLU 53 CO 0.08 0.58 -0.05 1.15 -1.18 0.00 0.00 179.01 179.58 1p3o h THR 54 N 0.90 0.95 -0.58 0.32 2.02 -0.42 -1.70 112.91 114.40 1p3o h THR 54 Ca 0.26 -0.21 0.12 0.00 0.77 0.00 0.00 66.41 67.35 1p3o h THR 54 Cb -0.05 1.09 -0.10 0.00 -1.74 0.00 0.00 68.15 67.34 1p3o h THR 54 CO -0.08 0.05 -0.08 0.03 0.37 0.00 0.00 175.52 175.82 1p3o h ARG 55 N -0.25 0.05 -0.82 6.66 3.08 -1.19 0.47 114.38 122.38 1p3o h ARG 55 Ca -0.02 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.09 1p3o h ARG 55 Cb 0.20 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 1p3o h ARG 55 CO 0.02 0.03 0.50 0.78 -1.07 0.00 0.00 179.97 180.24 1p3o h GLY 56 N 0.05 1.23 0.72 0.04 0.00 -1.15 0.32 103.07 104.28 1p3o h GLY 56 Ca 0.29 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1p3o h GLY 56 CO -0.55 0.24 -0.12 -2.08 0.00 0.00 0.00 176.54 174.03 1p3o h VAL 57 N 0.91 0.80 -0.68 4.60 2.07 0.15 -1.84 116.25 122.27 1p3o h VAL 57 Ca 0.36 -0.54 0.13 0.00 0.82 0.00 0.00 66.70 67.48 1p3o h VAL 57 Cb 0.18 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1p3o h VAL 57 CO -0.18 0.11 0.46 0.25 0.02 0.00 0.00 177.57 178.23 1p3o h LEU 58 N -0.63 0.33 -0.20 2.57 5.85 0.41 0.60 115.31 124.24 1p3o h LEU 58 Ca -0.03 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1p3o h LEU 58 Cb 0.45 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1p3o h LEU 58 CO 0.06 0.18 -0.20 0.50 -0.34 0.00 0.00 178.44 178.63 1p3o h LYS 59 N 0.35 0.49 -0.61 1.25 3.64 -0.13 -1.19 116.57 120.38 1p3o h LYS 59 Ca 0.33 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1p3o h LYS 59 Cb 0.78 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 1p3o h LYS 59 CO -0.09 0.84 0.31 0.28 -2.27 0.00 0.00 179.45 178.52 1p3o h VAL 60 N 0.16 1.19 0.42 2.00 2.07 -0.17 -0.41 116.25 121.51 1p3o h VAL 60 Ca 0.03 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1p3o h VAL 60 Cb 0.75 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1p3o h VAL 60 CO 0.05 0.22 -0.20 0.15 0.02 0.00 0.00 177.57 177.81 1p3o h PHE 61 N 0.85 -0.52 -0.73 1.57 3.57 -0.80 -2.17 116.94 118.71 1p3o h PHE 61 Ca 0.21 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.71 1p3o h PHE 61 Cb 0.06 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1p3o h PHE 61 CO 0.01 -0.28 0.48 -0.07 -2.23 0.00 0.00 178.31 176.21 1p3o h LEU 62 N -0.65 0.85 -0.35 0.59 3.38 -0.83 -2.24 115.31 116.06 1p3o h LEU 62 Ca -0.06 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1p3o h LEU 62 Cb 0.48 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1p3o h LEU 62 CO 0.09 0.62 0.16 -0.33 0.09 0.00 0.00 178.44 179.08 1p3o h GLU 63 N 0.99 0.33 -0.32 1.13 5.08 -1.05 0.32 114.58 121.06 1p3o h GLU 63 Ca 0.27 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1p3o h GLU 63 Cb -0.10 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1p3o h GLU 63 CO -0.06 0.22 0.15 -0.91 -1.00 0.00 0.00 179.01 177.42 1p3o h ASN 64 N 0.34 0.22 0.03 1.42 2.35 -1.02 0.54 115.58 119.46 1p3o h ASN 64 Ca 0.15 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1p3o h ASN 64 Cb 0.08 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1p3o h ASN 64 CO -0.12 0.17 -0.01 0.58 -1.65 0.00 0.00 177.43 176.40 1p3o h VAL 65 N 0.32 1.34 -0.81 2.81 2.07 -1.04 -2.89 116.25 118.07 1p3o h VAL 65 Ca 0.14 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 1p3o h VAL 65 Cb 0.06 2.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 1p3o h VAL 65 CO -0.10 0.30 0.44 0.40 0.02 0.00 0.00 177.57 178.63 1p3o h ILE 66 N -0.56 1.24 -0.76 4.57 2.04 -0.37 -0.60 117.51 123.07 1p3o h ILE 66 Ca -0.00 -0.61 0.09 0.00 1.00 0.00 0.00 64.86 65.34 1p3o h ILE 66 Cb 0.52 0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 36.70 1p3o h ILE 66 CO 0.01 0.27 0.41 -0.09 0.00 0.00 0.00 178.15 178.75 1p3o h ARG 67 N 1.13 0.67 -0.21 2.37 2.43 -0.91 0.20 114.38 120.06 1p3o h ARG 67 Ca 0.28 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.28 1p3o h ARG 67 Cb 0.04 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1p3o h ARG 67 CO -0.04 0.44 -0.42 -0.44 -1.51 0.00 0.00 179.97 178.00 1p3o h ASP 68 N 0.69 0.54 0.04 -3.80 5.19 -1.13 -2.72 116.42 115.23 1p3o h ASP 68 Ca 0.37 -0.24 -0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1p3o h ASP 68 Cb 0.36 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.72 1p3o h ASP 68 CO -0.25 0.90 -0.02 0.00 -3.12 0.00 0.00 179.24 176.74 1p3o h ALA 69 N 1.13 -0.06 -0.19 3.45 0.00 0.11 -2.51 119.26 121.19 1p3o h ALA 69 Ca 0.03 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1p3o h ALA 69 Cb 0.91 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1p3o h ALA 69 CO 0.08 -0.26 0.16 0.28 0.00 0.00 0.00 179.25 179.51 1p3o h VAL 70 N -0.60 0.70 -0.26 0.00 2.07 -0.73 0.42 116.25 117.85 1p3o h VAL 70 Ca -0.01 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 1p3o h VAL 70 Cb 0.54 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1p3o h VAL 70 CO 0.01 0.00 -0.43 0.74 0.02 0.00 0.00 177.57 177.91 1p3o h THR 71 N 0.00 1.30 -0.26 2.57 2.02 -1.26 -0.71 112.91 116.57 1p3o h THR 71 Ca 0.09 -1.61 -0.11 0.00 0.77 0.00 0.00 66.41 65.55 1p3o h THR 71 Cb 0.41 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 1p3o h THR 71 CO -0.00 0.51 -0.30 1.88 0.37 0.00 0.00 175.52 177.98 1p3o h TYR 72 N 0.53 0.60 0.85 3.16 0.99 0.09 -2.22 116.97 120.98 1p3o h TYR 72 Ca 0.04 -0.14 -0.04 0.00 2.00 0.00 0.00 58.73 60.58 1p3o h TYR 72 Cb 0.96 -0.14 0.01 0.00 1.00 0.00 0.00 36.73 38.56 1p3o h TYR 72 CO 0.04 0.77 -0.41 1.15 -0.00 0.00 0.00 178.16 179.71 1p3o h THR 73 N 0.45 0.00 -0.98 -2.88 2.02 0.07 -2.68 112.91 108.91 1p3o h THR 73 Ca 0.06 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.39 1p3o h THR 73 Cb 0.75 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.07 1p3o h THR 73 CO 0.06 0.00 0.60 -0.33 0.37 0.00 0.00 175.52 176.22 1p3o h GLU 74 N -1.15 0.84 -1.01 6.66 5.08 -1.19 0.09 114.58 123.89 1p3o h GLU 74 Ca -0.12 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1p3o h GLU 74 Cb 0.88 -0.19 -0.08 0.00 0.50 0.00 0.00 28.75 29.87 1p3o h GLU 74 CO 0.19 0.55 0.64 1.25 -1.00 0.00 0.00 179.01 180.65 1p3o h HIS 75 N 0.86 1.18 -0.23 4.33 2.76 -1.22 0.20 115.15 123.02 1p3o h HIS 75 Ca 0.52 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.72 1p3o h HIS 75 Cb 0.66 -0.38 0.00 0.00 1.55 0.00 0.00 27.41 29.24 1p3o h HIS 75 CO -0.02 0.54 0.00 0.00 -1.30 0.00 0.00 177.93 177.16 1p3o n ALA 76 N -2.36 2.80 -3.17 5.26 0.00 -0.01 -4.89 120.51 118.14 1p3o n ALA 76 Ca 0.17 -0.62 -0.22 0.00 0.00 0.00 0.00 53.44 52.78 1p3o n ALA 76 Cb 0.27 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1p3o n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p3o n LYS 77 N 0.25 -3.53 -3.28 0.00 5.02 0.69 -4.97 118.16 112.35 1p3o n LYS 77 Ca 0.10 0.57 -0.20 0.00 -2.02 0.00 0.00 58.31 56.76 1p3o n LYS 77 Cb 0.46 -5.30 0.01 0.00 -0.02 0.00 0.00 35.03 30.18 1p3o n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1p3o s ARG 78 N -5.82 2.57 0.00 1.97 0.52 -1.06 -5.02 118.95 112.11 1p3o s ARG 78 Ca 0.33 -1.50 0.00 0.00 -0.52 0.00 0.00 55.73 54.04 1p3o s ARG 78 Cb -0.17 -2.55 0.00 0.00 0.52 0.00 0.00 34.95 32.75 1p3o s ARG 78 CO 0.40 -0.40 0.81 1.63 0.02 0.00 0.00 175.30 177.76 1p3o n LYS 79 N -1.83 1.57 -3.97 3.54 5.02 -1.26 -4.46 118.16 116.77 1p3o n LYS 79 Ca 0.07 -1.13 -0.30 0.00 -2.02 0.00 0.00 58.31 54.93 1p3o n LYS 79 Cb 0.61 -0.99 -0.16 0.00 -0.02 0.00 0.00 35.03 34.47 1p3o n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1p3o s THR 80 N -0.64 1.57 0.13 -0.18 2.01 -1.26 -5.10 115.64 112.16 1p3o s THR 80 Ca 0.00 -1.05 -0.31 0.00 0.31 0.00 0.00 61.69 60.64 1p3o s THR 80 Cb 0.00 -1.71 -0.10 0.00 0.01 0.00 0.00 72.50 70.70 1p3o s THR 80 CO 0.00 0.08 1.70 -0.69 -0.69 0.00 0.00 174.62 175.02 1p3o s VAL 81 N 1.41 2.64 0.05 3.82 1.01 -1.26 -4.97 120.40 123.11 1p3o s VAL 81 Ca -0.03 0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.23 1p3o s VAL 81 Cb -0.17 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1p3o s VAL 81 CO -0.07 0.01 0.10 0.42 0.00 0.00 0.00 175.10 175.56 1p3o s THR 82 N 2.16 4.75 0.48 3.92 -4.23 -1.26 -4.98 115.64 116.49 1p3o s THR 82 Ca 0.76 -0.60 0.33 0.00 -1.18 0.00 0.00 61.69 60.99 1p3o s THR 82 Cb -0.44 -3.26 0.53 0.00 1.34 0.00 0.00 72.50 70.66 1p3o s THR 82 CO 0.33 0.19 1.72 0.00 -0.54 0.00 0.00 174.62 176.32 1p3o h ALA 83 N 3.46 2.92 -0.11 3.99 0.00 -1.93 1.26 119.26 128.86 1p3o h ALA 83 Ca -0.47 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 1p3o h ALA 83 Cb 1.17 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1p3o h ALA 83 CO 0.67 -1.38 -0.62 0.52 0.00 0.00 0.00 179.25 178.44 1p3o h MET 84 N 0.12 0.39 -0.46 0.00 2.86 -1.94 -0.59 114.93 115.31 1p3o h MET 84 Ca 0.69 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 58.02 1p3o h MET 84 Cb 2.37 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 34.05 1p3o h MET 84 CO -0.17 0.89 0.16 -0.44 1.06 0.00 0.00 176.91 178.41 1p3o h ASP 85 N 0.29 0.60 0.04 1.22 3.32 0.12 0.25 116.42 122.25 1p3o h ASP 85 Ca -0.01 -0.07 -0.23 0.00 0.02 0.00 0.00 57.03 56.74 1p3o h ASP 85 Cb 1.16 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.56 1p3o h ASP 85 CO 0.11 0.56 -0.86 0.58 -1.72 0.00 0.00 179.24 177.91 1p3o h VAL 86 N 0.65 1.31 -0.54 -1.35 2.07 -1.04 -2.17 116.25 115.19 1p3o h VAL 86 Ca 0.16 -2.14 -0.08 0.00 0.82 0.00 0.00 66.70 65.45 1p3o h VAL 86 Cb 0.17 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 1p3o h VAL 86 CO -0.01 0.66 0.02 0.58 0.02 0.00 0.00 177.57 178.84 1p3o h VAL 87 N 0.41 1.26 -0.23 2.57 2.07 -0.53 0.79 116.25 122.59 1p3o h VAL 87 Ca -0.07 -1.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.29 1p3o h VAL 87 Cb 1.49 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1p3o h VAL 87 CO 0.17 0.38 -0.21 1.88 0.02 0.00 0.00 177.57 179.81 1p3o h TYR 88 N 0.81 0.44 -0.00 1.57 0.99 -0.56 -0.85 116.97 119.37 1p3o h TYR 88 Ca 0.15 -0.08 -0.00 0.00 2.00 0.00 0.00 58.73 60.80 1p3o h TYR 88 Cb 0.51 -0.11 0.00 0.00 1.00 0.00 0.00 36.73 38.12 1p3o h TYR 88 CO 0.04 0.59 -0.01 0.00 -0.00 0.00 0.00 178.16 178.77 1p3o h ALA 89 N 1.42 0.01 -0.84 3.88 0.00 -1.02 -2.95 119.26 119.75 1p3o h ALA 89 Ca 0.06 -0.33 0.13 0.00 0.00 0.00 0.00 54.91 54.77 1p3o h ALA 89 Cb 0.57 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 1p3o h ALA 89 CO 0.04 -0.16 0.45 -0.07 0.00 0.00 0.00 179.25 179.51 1p3o h LEU 90 N -0.62 0.57 -1.37 0.00 3.38 -0.74 -0.19 115.31 116.35 1p3o h LEU 90 Ca -0.00 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1p3o h LEU 90 Cb 0.66 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1p3o h LEU 90 CO 0.00 0.27 0.44 0.50 0.09 0.00 0.00 178.44 179.74 1p3o h LYS 91 N 0.67 0.83 -0.47 1.13 3.64 -1.12 0.29 116.57 121.54 1p3o h LYS 91 Ca 0.44 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.67 1p3o h LYS 91 Cb 0.57 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1p3o h LYS 91 CO -0.33 0.55 -0.10 0.00 -2.27 0.00 0.00 179.45 177.30 1p3o h ARG 92 N 0.86 0.90 -0.11 1.90 3.08 -0.89 -1.75 114.38 118.37 1p3o h ARG 92 Ca 0.25 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1p3o h ARG 92 Cb -0.03 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1p3o h ARG 92 CO -0.06 0.99 0.00 1.04 -1.07 0.00 0.00 179.97 180.86 1p3o n GLN 93 N -4.25 0.63 -3.74 0.04 1.13 -0.76 -4.80 117.38 105.64 1p3o n GLN 93 Ca 0.00 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.79 1p3o n GLN 93 Cb 0.38 -1.05 0.05 0.00 0.11 0.00 0.00 30.24 29.73 1p3o n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p3o n GLY 94 N 0.14 -0.53 2.47 1.08 0.00 -0.66 -4.88 105.19 102.82 1p3o n GLY 94 Ca 0.00 0.23 -0.15 0.00 0.00 0.00 0.00 46.02 46.10 1p3o n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p3o n ARG 95 N -4.84 2.57 -1.52 1.61 5.12 0.94 -5.01 116.66 115.52 1p3o n ARG 95 Ca 0.03 -3.88 -0.54 0.00 -1.93 0.00 0.00 57.85 51.53 1p3o n ARG 95 Cb 0.54 -1.88 -0.06 0.00 -1.16 0.00 0.00 32.46 29.90 1p3o n ARG 95 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1p3o n THR 96 N -0.50 0.51 -4.56 0.55 -1.04 -1.24 -4.53 114.28 103.46 1p3o n THR 96 Ca 0.26 -0.13 -0.28 0.00 -2.04 0.00 0.00 64.05 61.87 1p3o n THR 96 Cb 0.83 -0.37 -0.17 0.00 -1.82 0.00 0.00 70.33 68.80 1p3o n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1p3o s LEU 97 N 0.68 1.72 0.01 -4.42 2.96 -1.26 -5.00 118.68 113.37 1p3o s LEU 97 Ca 0.81 -0.40 -0.08 0.00 -0.22 0.00 0.00 54.13 54.24 1p3o s LEU 97 Cb -1.06 -1.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 1p3o s LEU 97 CO 0.54 0.03 0.30 -0.31 -1.32 0.00 0.00 176.35 175.59 1p3o s TYR 98 N 0.84 3.60 0.00 5.38 1.51 -1.26 -4.57 117.35 122.86 1p3o s TYR 98 Ca -0.10 0.68 0.00 0.00 -1.01 0.00 0.00 57.07 56.64 1p3o s TYR 98 Cb -0.15 -2.06 0.00 0.00 -0.11 0.00 0.00 41.96 39.63 1p3o s TYR 98 CO 0.01 0.61 0.00 0.41 -1.11 0.00 0.00 175.55 175.47 1p3o n GLY 99 N 1.28 1.26 1.03 0.71 0.00 -1.26 -4.98 105.19 103.24 1p3o n GLY 99 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1p3o n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1p3o n PHE 100 N -0.49 0.52 0.00 1.61 3.01 -1.26 -5.09 117.46 115.77 1p3o n PHE 100 Ca 0.00 -1.52 0.00 0.00 1.01 0.00 0.00 57.45 56.94 1p3o n PHE 100 Cb 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.22 1p3o n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p3o n GLY 101 N -0.83 -1.08 1.95 1.37 0.00 -1.26 -4.53 105.19 100.81 1p3o n GLY 101 Ca 0.21 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1p3o n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93