#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfh s PHE 2 N 0.00 3.54 -0.13 1.12 5.36 0.18 -4.92 117.98 123.13 1pfh s PHE 2 Ca 0.00 1.54 0.01 0.00 -0.96 0.00 0.00 56.93 57.53 1pfh s PHE 2 Cb 0.00 -3.11 0.02 0.00 -0.34 0.00 0.00 43.02 39.58 1pfh s PHE 2 CO 0.00 -0.14 -0.16 -1.14 -1.46 0.00 0.00 175.22 172.31 1pfh s GLN 3 N 1.66 2.43 -0.21 10.12 0.74 -1.26 -1.01 119.66 132.13 1pfh s GLN 3 Ca 0.47 -0.63 -0.01 0.00 0.05 0.00 0.00 55.36 55.24 1pfh s GLN 3 Cb -0.19 -2.09 0.06 0.00 1.10 0.00 0.00 33.01 31.89 1pfh s GLN 3 CO 0.20 -0.11 -0.01 -0.65 -0.55 0.00 0.00 175.29 174.16 1pfh s GLN 4 N 1.11 1.17 -0.56 1.67 -0.21 -0.26 -5.03 119.66 117.56 1pfh s GLN 4 Ca -0.03 -0.70 -0.26 0.00 0.02 0.00 0.00 55.36 54.39 1pfh s GLN 4 Cb -0.14 -2.33 0.04 0.00 1.00 0.00 0.00 33.01 31.58 1pfh s GLN 4 CO -0.05 -0.60 1.05 -2.00 -2.12 0.00 0.00 175.29 171.57 1pfh s GLU 5 N 1.62 3.43 0.03 2.91 2.12 -1.26 -0.55 118.70 126.99 1pfh s GLU 5 Ca -0.03 -0.01 0.06 0.00 0.36 0.00 0.00 54.97 55.35 1pfh s GLU 5 Cb -0.18 -4.03 -0.03 0.00 0.26 0.00 0.00 34.13 30.15 1pfh s GLU 5 CO -0.07 -1.55 -0.17 0.14 -0.54 0.00 0.00 175.26 173.07 1pfh s VAL 6 N 4.36 2.89 -0.28 3.70 -7.23 0.03 -4.97 120.40 118.90 1pfh s VAL 6 Ca 0.36 -1.10 -0.09 0.00 -1.81 0.00 0.00 61.98 59.34 1pfh s VAL 6 Cb -0.10 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 1pfh s VAL 6 CO 0.22 0.37 0.14 0.42 -0.31 0.00 0.00 175.10 175.94 1pfh s THR 7 N -0.91 4.72 -0.32 5.32 -4.23 -1.26 -0.63 115.64 118.33 1pfh s THR 7 Ca 0.15 -0.16 -0.29 0.00 -1.18 0.00 0.00 61.69 60.21 1pfh s THR 7 Cb -0.11 -3.29 -0.00 0.00 1.34 0.00 0.00 72.50 70.44 1pfh s THR 7 CO 0.05 0.21 1.40 -0.63 -0.54 0.00 0.00 174.62 175.12 1pfh s ILE 8 N 1.66 3.97 -0.12 2.99 1.01 -1.17 -4.89 121.20 124.65 1pfh s ILE 8 Ca 0.06 1.07 0.20 0.00 0.00 0.00 0.00 60.65 61.98 1pfh s ILE 8 Cb -0.16 -4.07 -0.22 0.00 0.01 0.00 0.00 42.46 38.02 1pfh s ILE 8 CO 0.07 -0.51 0.58 0.35 0.00 0.00 0.00 174.94 175.42 1pfh n THR 9 N 6.51 0.63 -1.85 2.92 -2.24 -1.26 -1.35 114.28 117.65 1pfh n THR 9 Ca 0.16 -0.62 -0.42 0.00 -2.27 0.00 0.00 64.05 60.91 1pfh n THR 9 Cb 0.47 -0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.37 1pfh n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pfh s ALA 10 N -3.17 3.75 0.12 6.98 0.00 -1.26 -4.84 121.76 123.34 1pfh s ALA 10 Ca -0.06 1.49 -0.28 0.00 0.00 0.00 0.00 51.96 53.10 1pfh s ALA 10 Cb 0.11 -3.63 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 1pfh s ALA 10 CO 0.85 -0.89 1.61 -1.35 0.00 0.00 0.00 175.76 175.98 1pfh h PRO 11 N 5.48 -0.52 -0.39 0.00 0.11 -1.95 -2.29 132.00 132.45 1pfh h PRO 11 Ca -0.45 0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.58 1pfh h PRO 11 Cb 1.21 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 1pfh h PRO 11 CO 0.83 -0.34 -0.21 -2.95 -0.21 0.00 0.00 178.00 175.12 1pfh h ASN 12 N -0.54 0.76 0.00 -2.05 7.08 -1.93 -3.16 115.58 115.74 1pfh h ASN 12 Ca 0.04 -0.27 0.00 0.00 -3.08 0.00 0.00 56.30 53.00 1pfh h ASN 12 Cb 0.59 -0.21 0.00 0.00 -2.08 0.00 0.00 38.32 36.63 1pfh h ASN 12 CO -0.24 0.96 0.00 0.61 -2.08 0.00 0.00 177.43 176.68 1pfh n GLY 13 N -0.27 0.85 0.00 9.14 0.00 -0.88 -4.40 105.19 109.63 1pfh n GLY 13 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1pfh n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pfh n LEU 14 N 0.00 0.00 -0.29 0.99 4.77 -0.46 -4.91 117.00 117.10 1pfh n LEU 14 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1pfh n LEU 14 Cb 0.00 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.36 1pfh n LEU 14 CO 0.00 0.00 0.97 0.71 -1.33 0.00 0.00 177.39 177.74 1pfh h THR 16 N 0.00 0.41 0.08 -5.08 1.35 -1.92 0.20 112.91 107.95 1pfh h THR 16 Ca 0.00 -0.10 -0.25 0.00 -0.55 0.00 0.00 66.41 65.51 1pfh h THR 16 Cb 0.00 0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 66.51 1pfh h THR 16 CO 0.00 0.05 -1.34 0.03 -0.25 0.00 0.00 175.52 174.01 1pfh h ARG 17 N 0.28 0.16 -0.38 4.72 2.47 -1.98 -0.93 114.38 118.72 1pfh h ARG 17 Ca 0.52 -0.27 0.03 0.00 -1.26 0.00 0.00 59.98 59.00 1pfh h ARG 17 Cb 1.00 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 29.40 1pfh h ARG 17 CO -0.58 1.13 0.26 -1.35 0.56 0.00 0.00 179.97 179.99 1pfh h PRO 18 N -0.50 0.40 -0.31 0.04 0.11 -1.92 0.45 132.00 130.26 1pfh h PRO 18 Ca -0.31 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.82 1pfh h PRO 18 Cb 1.61 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.59 1pfh h PRO 18 CO -0.02 0.26 0.08 0.00 -0.21 0.00 0.00 178.00 178.11 1pfh h ALA 19 N 1.78 0.33 -0.78 -0.75 0.00 -0.69 0.14 119.26 119.30 1pfh h ALA 19 Ca 0.16 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1pfh h ALA 19 Cb 0.12 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1pfh h ALA 19 CO -0.04 -0.33 0.39 0.00 0.00 0.00 0.00 179.25 179.27 1pfh h ALA 20 N 1.22 1.22 -0.61 0.00 0.00 -0.09 0.43 119.26 121.43 1pfh h ALA 20 Ca 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1pfh h ALA 20 Cb 0.14 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1pfh h ALA 20 CO -0.18 0.61 0.30 1.96 0.00 0.00 0.00 179.25 181.94 1pfh h GLN 21 N 1.10 0.87 -0.80 0.00 7.50 -0.62 -1.11 115.11 122.05 1pfh h GLN 21 Ca 0.27 -0.12 0.03 0.00 0.50 0.00 0.00 58.65 59.33 1pfh h GLN 21 Cb 0.09 -0.16 -0.05 0.00 0.05 0.00 0.00 27.48 27.41 1pfh h GLN 21 CO -0.04 0.69 0.51 0.35 -1.50 0.00 0.00 178.83 178.85 1pfh h PHE 22 N 0.83 0.96 0.04 2.96 3.04 -0.32 -0.79 116.94 123.66 1pfh h PHE 22 Ca 0.21 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.20 1pfh h PHE 22 Cb 0.10 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.27 1pfh h PHE 22 CO -0.00 0.56 -0.13 0.28 -2.02 0.00 0.00 178.31 177.00 1pfh h VAL 23 N 1.01 0.69 -0.56 1.41 2.07 -0.77 0.21 116.25 120.30 1pfh h VAL 23 Ca 0.31 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.93 1pfh h VAL 23 Cb -0.01 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 1pfh h VAL 23 CO -0.10 0.00 0.17 0.50 0.02 0.00 0.00 177.57 178.15 1pfh h LYS 24 N -0.24 0.31 -0.29 1.57 3.11 -0.60 0.11 116.57 120.55 1pfh h LYS 24 Ca 0.03 -0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.80 1pfh h LYS 24 Cb 0.27 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.42 1pfh h LYS 24 CO -0.10 0.21 -0.04 1.49 -2.81 0.00 0.00 179.45 178.20 1pfh h GLU 25 N 0.32 0.53 -0.75 1.90 4.57 -0.96 -3.06 114.58 117.12 1pfh h GLU 25 Ca 0.29 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 58.30 1pfh h GLU 25 Cb 0.38 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.89 1pfh h GLU 25 CO -0.33 0.71 0.50 0.00 -1.18 0.00 0.00 179.01 178.72 1pfh h ALA 26 N 0.80 1.53 -0.01 2.92 0.00 -0.29 -0.58 119.26 123.63 1pfh h ALA 26 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1pfh h ALA 26 Cb 0.50 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1pfh h ALA 26 CO 0.02 0.41 0.03 0.87 0.00 0.00 0.00 179.25 180.58 1pfh h LYS 27 N 0.95 0.00 0.00 0.00 1.57 -0.68 -2.70 116.57 115.71 1pfh h LYS 27 Ca 0.29 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1pfh h LYS 27 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1pfh h LYS 27 CO -0.08 0.00 -0.01 0.78 -0.57 0.00 0.00 179.45 179.57 1pfh h GLY 28 N 0.00 0.00 -4.74 3.86 0.00 -1.09 -3.45 103.07 97.65 1pfh h GLY 28 Ca 0.01 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.73 1pfh h GLY 28 CO -0.00 0.00 -0.42 -1.36 0.00 0.00 0.00 176.54 174.76 1pfh s PHE 29 N -3.72 3.52 0.10 5.60 0.08 -1.02 -5.03 117.98 117.50 1pfh s PHE 29 Ca 0.00 0.41 -0.15 0.00 0.12 0.00 0.00 56.93 57.31 1pfh s PHE 29 Cb 0.09 -1.88 -0.07 0.00 -0.57 0.00 0.00 43.02 40.60 1pfh s PHE 29 CO 0.53 0.55 1.46 1.79 -0.10 0.00 0.00 175.22 179.46 1pfh h THR 30 N 2.28 1.29 -4.10 0.64 1.35 -1.87 -3.44 112.91 109.05 1pfh h THR 30 Ca -0.46 -1.28 -0.51 0.00 -0.55 0.00 0.00 66.41 63.61 1pfh h THR 30 Cb 1.17 1.45 0.20 0.00 -1.73 0.00 0.00 68.15 69.24 1pfh h THR 30 CO 0.73 0.41 0.19 -0.94 -0.25 0.00 0.00 175.52 175.66 1pfh s SER 31 N -6.37 2.67 -0.35 5.36 1.04 -1.26 -5.01 113.70 109.77 1pfh s SER 31 Ca -0.13 2.06 0.00 0.00 0.48 0.00 0.00 55.95 58.36 1pfh s SER 31 Cb 0.09 -2.52 0.09 0.00 0.10 0.00 0.00 66.02 63.78 1pfh s SER 31 CO 0.81 -3.24 0.09 -0.70 0.98 0.00 0.00 173.24 171.18 1pfh s GLU 32 N -4.63 1.89 -0.38 4.02 2.12 -1.26 -4.97 118.70 115.49 1pfh s GLU 32 Ca 0.67 -1.72 -0.28 0.00 0.36 0.00 0.00 54.97 54.00 1pfh s GLU 32 Cb -0.23 -3.33 -0.03 0.00 0.26 0.00 0.00 34.13 30.80 1pfh s GLU 32 CO 0.59 -0.91 2.00 0.42 -0.54 0.00 0.00 175.26 176.82 1pfh s ILE 33 N 1.07 3.27 -0.24 -3.70 -1.09 -1.26 -4.57 121.20 114.68 1pfh s ILE 33 Ca 0.06 0.25 -0.16 0.00 -2.23 0.00 0.00 60.65 58.57 1pfh s ILE 33 Cb -0.21 -3.45 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 1pfh s ILE 33 CO -0.05 -0.34 0.42 0.42 -1.23 0.00 0.00 174.94 174.16 1pfh s THR 34 N 8.41 5.16 -0.41 2.92 -4.23 -0.95 -0.36 115.64 126.17 1pfh s THR 34 Ca 0.85 0.71 -0.11 0.00 -1.18 0.00 0.00 61.69 61.96 1pfh s THR 34 Cb -0.22 -3.75 0.06 0.00 1.34 0.00 0.00 72.50 69.93 1pfh s THR 34 CO 0.31 0.18 0.27 -0.69 -0.54 0.00 0.00 174.62 174.14 1pfh s VAL 35 N 1.82 4.57 -0.37 2.29 1.01 0.28 -1.34 120.40 128.66 1pfh s VAL 35 Ca 0.18 -1.11 -0.17 0.00 0.00 0.00 0.00 61.98 60.89 1pfh s VAL 35 Cb -0.15 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1pfh s VAL 35 CO 0.09 -0.41 0.42 -0.89 0.00 0.00 0.00 175.10 174.31 1pfh s THR 36 N 1.52 5.11 -0.11 3.92 2.01 -0.46 -1.19 115.64 126.44 1pfh s THR 36 Ca 0.03 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1pfh s THR 36 Cb -0.22 -3.93 0.02 0.00 0.01 0.00 0.00 72.50 68.39 1pfh s THR 36 CO 0.05 -0.24 -0.09 -0.55 -0.69 0.00 0.00 174.62 173.11 1pfh s SER 37 N 1.77 2.15 -0.94 3.53 0.15 -0.59 -0.80 113.70 118.96 1pfh s SER 37 Ca 0.13 -0.32 -0.18 0.00 0.70 0.00 0.00 55.95 56.29 1pfh s SER 37 Cb -0.16 -0.86 0.02 0.00 -1.71 0.00 0.00 66.02 63.31 1pfh s SER 37 CO 0.13 -0.09 0.58 -0.46 1.20 0.00 0.00 173.24 174.60 1pfh n ASN 38 N 4.74 -3.94 0.00 5.45 0.23 -1.26 -1.86 115.26 118.61 1pfh n ASN 38 Ca -0.15 -1.05 0.00 0.00 -0.53 0.00 0.00 54.58 52.85 1pfh n ASN 38 Cb 0.50 -1.42 0.00 0.00 -2.08 0.00 0.00 39.78 36.78 1pfh n ASN 38 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pfh n GLY 39 N -1.79 1.67 3.56 4.83 0.00 -1.26 -4.90 105.19 107.30 1pfh n GLY 39 Ca -0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 1pfh n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfh s LYS 40 N 0.00 2.41 -0.71 1.61 1.02 -0.78 -4.92 119.74 118.37 1pfh s LYS 40 Ca 0.00 -0.31 -0.27 0.00 0.02 0.00 0.00 55.97 55.41 1pfh s LYS 40 Cb 0.00 -5.05 0.02 0.00 -0.52 0.00 0.00 37.83 32.28 1pfh s LYS 40 CO 0.00 -3.61 1.44 -1.12 -0.92 0.00 0.00 175.35 171.13 1pfh s SER 41 N 8.19 5.92 -0.24 2.83 0.01 -1.26 -1.55 113.70 127.60 1pfh s SER 41 Ca 0.73 -0.25 -0.09 0.00 1.31 0.00 0.00 55.95 57.64 1pfh s SER 41 Cb -0.07 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 1pfh s SER 41 CO 0.02 -1.98 0.13 0.00 0.41 0.00 0.00 173.24 171.82 1pfh s ALA 42 N 6.63 3.46 -0.41 1.44 0.00 -0.34 -4.90 121.76 127.64 1pfh s ALA 42 Ca 0.44 -0.97 -0.27 0.00 0.00 0.00 0.00 51.96 51.16 1pfh s ALA 42 Cb -0.09 -2.24 -0.07 0.00 0.00 0.00 0.00 23.12 20.72 1pfh s ALA 42 CO 0.16 -0.28 2.35 0.45 0.00 0.00 0.00 175.76 178.44 1pfh n SER 43 N 4.49 2.57 0.10 0.00 2.88 -1.26 -0.56 113.62 121.83 1pfh n SER 43 Ca -0.15 -0.21 0.07 0.00 -1.33 0.00 0.00 58.87 57.24 1pfh n SER 43 Cb 0.52 -1.54 0.52 0.00 -0.75 0.00 0.00 64.21 62.96 1pfh n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pfh h ALA 44 N 17.60 1.87 0.00 -1.46 0.00 -1.06 -1.88 119.26 134.33 1pfh h ALA 44 Ca -0.29 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1pfh h ALA 44 Cb 1.26 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1pfh h ALA 44 CO 1.09 0.11 -0.14 -0.22 0.00 0.00 0.00 179.25 180.09 1pfh h LYS 45 N 0.31 0.00 -5.15 0.00 3.64 -1.86 -3.39 116.57 110.13 1pfh h LYS 45 Ca 0.10 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.82 1pfh h LYS 45 Cb 0.04 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 31.69 1pfh h LYS 45 CO -0.02 0.14 -0.05 0.45 -2.27 0.00 0.00 179.45 177.70 1pfh s SER 46 N -6.17 6.27 0.00 4.20 0.15 -0.70 -4.79 113.70 112.65 1pfh s SER 46 Ca -0.02 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1pfh s SER 46 Cb 0.13 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 1pfh s SER 46 CO 0.59 -0.63 0.52 -0.11 1.20 0.00 0.00 173.24 174.81 1pfh n LEU 47 N 5.88 0.00 0.20 3.45 7.94 -1.26 -1.89 117.00 131.32 1pfh n LEU 47 Ca -0.05 0.52 0.04 0.00 -1.11 0.00 0.00 56.01 55.42 1pfh n LEU 47 Cb 0.48 -0.21 0.45 0.00 0.53 0.00 0.00 43.42 44.67 1pfh n LEU 47 CO 0.49 -0.21 0.85 -0.26 -1.11 0.00 0.00 177.39 177.14 1pfh h PHE 48 N 0.00 0.03 -0.14 1.96 0.04 -1.94 -2.27 116.94 114.61 1pfh h PHE 48 Ca 0.00 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1pfh h PHE 48 Cb 0.00 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1pfh h PHE 48 CO -0.39 0.26 0.06 0.87 -0.60 0.00 0.00 178.31 178.51 1pfh h LYS 49 N 0.02 0.21 -0.14 1.51 1.79 -1.63 -1.33 116.57 117.01 1pfh h LYS 49 Ca 0.00 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.38 1pfh h LYS 49 Cb 0.43 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1pfh h LYS 49 CO 0.03 0.28 -0.12 1.25 -1.08 0.00 0.00 179.45 179.81 1pfh h LEU 50 N 0.09 0.35 -1.80 2.94 5.85 -1.36 -3.07 115.31 118.31 1pfh h LEU 50 Ca 0.05 -0.47 0.20 0.00 0.84 0.00 0.00 57.88 58.51 1pfh h LEU 50 Cb 0.14 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1pfh h LEU 50 CO -0.01 0.74 0.55 1.56 -0.34 0.00 0.00 178.44 180.95 1pfh h GLN 51 N -0.04 0.17 -0.21 1.25 4.20 -1.06 -1.18 115.11 118.24 1pfh h GLN 51 Ca 0.02 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 1pfh h GLN 51 Cb 0.64 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 1pfh h GLN 51 CO 0.03 0.11 -0.07 -2.37 -0.67 0.00 0.00 178.83 175.86 1pfh n THR 52 N -4.39 2.28 -0.03 -0.54 5.66 -0.53 -4.42 114.28 112.31 1pfh n THR 52 Ca 0.16 -2.37 -0.13 0.00 -3.05 0.00 0.00 64.05 58.66 1pfh n THR 52 Cb 0.74 -0.27 -0.09 0.00 -1.55 0.00 0.00 70.33 69.16 1pfh n THR 52 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1pfh h LEU 53 N 1.08 0.19 0.00 1.09 5.85 -1.10 -3.49 115.31 118.93 1pfh h LEU 53 Ca 0.07 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1pfh h LEU 53 Cb 1.38 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.36 1pfh h LEU 53 CO 0.21 0.67 0.00 0.61 -0.34 0.00 0.00 178.44 179.59 1pfh n GLY 54 N 0.29 1.20 2.90 3.75 0.00 -1.26 -5.06 105.19 107.01 1pfh n GLY 54 Ca -0.07 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 1pfh n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pfh s LEU 55 N 0.00 4.20 0.33 0.99 1.43 -1.26 -4.91 118.68 119.47 1pfh s LEU 55 Ca 0.00 -3.19 0.04 0.00 -1.03 0.00 0.00 54.13 49.95 1pfh s LEU 55 Cb 0.00 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 1pfh s LEU 55 CO 0.00 -0.19 0.17 0.28 0.23 0.00 0.00 176.35 176.84 1pfh s THR 56 N -0.52 0.34 -0.09 5.49 -1.32 -1.26 -1.36 115.64 116.92 1pfh s THR 56 Ca 0.19 -2.00 -0.31 0.00 -1.21 0.00 0.00 61.69 58.37 1pfh s THR 56 Cb -0.20 -2.47 -0.09 0.00 -1.51 0.00 0.00 72.50 68.24 1pfh s THR 56 CO -0.05 0.00 2.05 1.67 -2.21 0.00 0.00 174.62 176.08 1pfh n GLN 57 N -0.67 2.34 0.00 7.08 7.27 -1.13 -2.54 117.38 129.72 1pfh n GLN 57 Ca 0.01 0.79 0.00 0.00 0.07 0.00 0.00 57.00 57.87 1pfh n GLN 57 Cb 0.64 -2.97 0.00 0.00 2.41 0.00 0.00 30.24 30.32 1pfh n GLN 57 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1pfh n GLY 58 N 5.03 2.47 3.62 1.69 0.00 -0.45 -5.03 105.19 112.51 1pfh n GLY 58 Ca 0.25 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 1pfh n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pfh n THR 59 N 0.00 0.46 -2.94 2.61 -2.24 -1.05 -4.84 114.28 106.28 1pfh n THR 59 Ca 0.00 -0.37 -0.40 0.00 -2.27 0.00 0.00 64.05 61.00 1pfh n THR 59 Cb 0.00 -2.50 -0.04 0.00 -2.10 0.00 0.00 70.33 65.69 1pfh n THR 59 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1pfh s VAL 60 N 7.27 4.99 -0.13 2.28 1.01 -1.26 -3.06 120.40 131.50 1pfh s VAL 60 Ca 0.98 1.64 -0.01 0.00 0.00 0.00 0.00 61.98 64.59 1pfh s VAL 60 Cb -0.37 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 31.92 1pfh s VAL 60 CO 0.37 0.22 -0.06 0.68 0.00 0.00 0.00 175.10 176.31 1pfh s VAL 61 N 0.88 1.01 -0.58 2.92 -7.23 0.20 -4.49 120.40 113.11 1pfh s VAL 61 Ca 0.42 -0.38 -0.25 0.00 -1.81 0.00 0.00 61.98 59.97 1pfh s VAL 61 Cb -0.19 -1.10 0.04 0.00 0.56 0.00 0.00 36.38 35.70 1pfh s VAL 61 CO 0.21 0.28 1.00 -0.89 -0.31 0.00 0.00 175.10 175.40 1pfh s THR 62 N 1.70 4.29 -0.47 5.32 2.01 0.02 -0.79 115.64 127.71 1pfh s THR 62 Ca 0.04 0.31 -0.27 0.00 0.31 0.00 0.00 61.69 62.07 1pfh s THR 62 Cb -0.13 -4.61 0.03 0.00 0.01 0.00 0.00 72.50 67.80 1pfh s THR 62 CO -0.08 -1.23 1.02 -0.63 -0.69 0.00 0.00 174.62 173.01 1pfh s ILE 63 N 4.22 4.35 -0.01 1.82 1.01 0.29 -1.35 121.20 131.53 1pfh s ILE 63 Ca 0.32 0.94 0.07 0.00 0.00 0.00 0.00 60.65 61.98 1pfh s ILE 63 Cb -0.12 -4.51 -0.02 0.00 0.01 0.00 0.00 42.46 37.81 1pfh s ILE 63 CO 0.19 -0.92 -0.22 -0.44 0.00 0.00 0.00 174.94 173.54 1pfh s SER 64 N 2.37 3.42 -0.07 3.58 0.01 -0.45 -1.10 113.70 121.46 1pfh s SER 64 Ca 0.42 -0.42 -0.06 0.00 1.31 0.00 0.00 55.95 57.20 1pfh s SER 64 Cb -0.09 -0.49 0.02 0.00 0.21 0.00 0.00 66.02 65.67 1pfh s SER 64 CO 0.29 0.31 0.18 0.00 0.41 0.00 0.00 173.24 174.42 1pfh s ALA 65 N -0.72 -0.44 -0.04 1.44 0.00 -0.18 -2.24 121.76 119.59 1pfh s ALA 65 Ca 0.11 0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.61 1pfh s ALA 65 Cb -0.10 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.73 1pfh s ALA 65 CO 0.01 -0.09 -0.07 -2.00 0.00 0.00 0.00 175.76 173.61 1pfh s GLU 66 N 0.16 0.93 0.00 0.00 2.12 -1.26 -0.65 118.70 119.99 1pfh s GLU 66 Ca -0.01 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.13 1pfh s GLU 66 Cb -0.02 -0.88 0.00 0.00 0.26 0.00 0.00 34.13 33.50 1pfh s GLU 66 CO -0.00 0.00 0.00 0.41 -0.54 0.00 0.00 175.26 175.13 1pfh n GLY 67 N 3.72 0.55 0.29 -1.50 0.00 -1.26 -4.11 105.19 102.88 1pfh n GLY 67 Ca -0.22 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 43.99 1pfh n GLY 67 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pfh h GLU 68 N 1.12 -0.72 -1.13 1.61 4.39 -2.00 -3.17 114.58 114.69 1pfh h GLU 68 Ca 0.00 0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.65 1pfh h GLU 68 Cb 0.00 0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 28.76 1pfh h GLU 68 CO 0.00 -0.48 0.12 -0.40 -1.16 0.00 0.00 179.01 177.09 1pfh n ASP 69 N -4.01 3.55 0.15 1.42 5.68 -1.26 -4.68 116.55 117.41 1pfh n ASP 69 Ca -0.09 -2.35 -0.15 0.00 -0.50 0.00 0.00 54.79 51.70 1pfh n ASP 69 Cb 0.29 -0.65 -0.08 0.00 -1.14 0.00 0.00 41.12 39.55 1pfh n ASP 69 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1pfh h GLU 70 N 0.34 -0.70 -0.59 0.11 4.11 -1.88 0.23 114.58 116.18 1pfh h GLU 70 Ca 0.11 0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.57 1pfh h GLU 70 Cb 1.28 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.66 1pfh h GLU 70 CO 0.21 -0.47 0.28 -0.56 0.07 0.00 0.00 179.01 178.55 1pfh h GLN 71 N -0.73 0.85 -0.32 1.06 -0.00 -1.88 -3.05 115.11 111.04 1pfh h GLN 71 Ca 0.00 -0.13 -0.04 0.00 -0.00 0.00 0.00 58.65 58.48 1pfh h GLN 71 Cb 0.72 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.48 28.04 1pfh h GLN 71 CO -0.21 0.69 0.03 0.87 -0.00 0.00 0.00 178.83 180.21 1pfh h LYS 72 N 0.81 0.55 0.00 0.06 1.57 -1.76 -2.15 116.57 115.65 1pfh h LYS 72 Ca 0.20 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1pfh h LYS 72 Cb 0.12 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1pfh h LYS 72 CO -0.03 0.66 -0.15 0.00 -0.57 0.00 0.00 179.45 179.37 1pfh h ALA 73 N 0.87 -0.17 0.28 3.86 0.00 -0.92 -1.15 119.26 122.04 1pfh h ALA 73 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1pfh h ALA 73 Cb 0.39 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1pfh h ALA 73 CO 0.01 -0.64 -0.16 0.28 0.00 0.00 0.00 179.25 178.75 1pfh h VAL 74 N -0.25 0.68 -0.22 0.00 2.07 -1.41 -1.83 116.25 115.29 1pfh h VAL 74 Ca 0.05 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.63 1pfh h VAL 74 Cb 0.31 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 1pfh h VAL 74 CO -0.14 0.00 -0.28 -0.08 0.02 0.00 0.00 177.57 177.09 1pfh h GLU 75 N -0.41 -0.29 -0.36 1.57 4.81 -1.27 0.09 114.58 118.72 1pfh h GLU 75 Ca -0.03 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1pfh h GLU 75 Cb 0.33 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1pfh h GLU 75 CO 0.04 -0.20 0.15 1.25 -0.73 0.00 0.00 179.01 179.53 1pfh h HIS 76 N -0.30 0.53 -0.44 0.92 2.76 -1.07 -1.73 115.15 115.82 1pfh h HIS 76 Ca 0.13 -0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.20 1pfh h HIS 76 Cb 0.50 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 1pfh h HIS 76 CO -0.42 0.47 -0.00 -0.07 -1.30 0.00 0.00 177.93 176.61 1pfh h LEU 77 N 0.43 0.68 0.05 0.26 3.38 -0.92 -0.57 115.31 118.62 1pfh h LEU 77 Ca 0.12 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1pfh h LEU 77 Cb 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1pfh h LEU 77 CO -0.01 0.75 -0.05 0.58 0.09 0.00 0.00 178.44 179.80 1pfh h VAL 78 N 0.67 0.89 -0.43 1.22 2.07 -0.79 -2.02 116.25 117.86 1pfh h VAL 78 Ca 0.13 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.71 1pfh h VAL 78 Cb 0.42 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1pfh h VAL 78 CO 0.02 0.00 0.15 0.11 0.02 0.00 0.00 177.57 177.87 1pfh h LYS 79 N -0.10 0.31 -0.12 1.57 1.57 -0.86 0.52 116.57 119.46 1pfh h LYS 79 Ca 0.00 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1pfh h LYS 79 Cb 0.10 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 1pfh h LYS 79 CO -0.02 0.21 -0.51 1.25 -0.57 0.00 0.00 179.45 179.81 1pfh h LEU 80 N 0.32 -1.62 -0.77 2.94 5.85 -1.05 0.37 115.31 121.34 1pfh h LEU 80 Ca 0.20 0.20 0.04 0.00 0.84 0.00 0.00 57.88 59.16 1pfh h LEU 80 Cb 0.18 0.64 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 1pfh h LEU 80 CO -0.20 -0.48 0.48 -0.03 -0.34 0.00 0.00 178.44 177.87 1pfh h MET 81 N -0.57 0.89 0.00 1.25 4.05 -0.97 -2.39 114.93 117.18 1pfh h MET 81 Ca 0.04 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.31 1pfh h MET 81 Cb 0.68 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 1pfh h MET 81 CO -0.42 0.59 -0.50 0.00 0.23 0.00 0.00 176.91 176.81 1pfh h ALA 82 N 1.34 1.17 0.03 0.39 0.00 -0.23 -3.32 119.26 118.64 1pfh h ALA 82 Ca 0.32 -0.45 -0.29 0.00 0.00 0.00 0.00 54.91 54.49 1pfh h ALA 82 Cb 0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1pfh h ALA 82 CO -0.13 0.62 -1.59 0.93 0.00 0.00 0.00 179.25 179.08 1pfh h GLU 83 N 0.00 0.06 -6.45 0.00 5.08 -0.47 -3.49 114.58 109.31 1pfh h GLU 83 Ca -0.00 -0.10 -0.60 0.00 -1.00 0.00 0.00 59.36 57.66 1pfh h GLU 83 Cb 0.88 0.04 0.14 0.00 0.50 0.00 0.00 28.75 30.31 1pfh h GLU 83 CO 0.06 0.73 -0.17 1.28 -1.00 0.00 0.00 179.01 179.91 1pfh n LEU 84 N -3.19 1.06 0.00 1.33 4.77 -0.97 -5.11 117.00 114.89 1pfh n LEU 84 Ca -0.15 0.97 0.09 0.00 -0.03 0.00 0.00 56.01 56.88 1pfh n LEU 84 Cb 1.03 -1.21 0.51 0.00 -2.33 0.00 0.00 43.42 41.42 1pfh n LEU 84 CO 0.46 -2.31 0.71 -0.62 -1.33 0.00 0.00 177.39 174.30