#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 3.11 -0.65 1.12 5.36 -0.90 -4.90 117.98 121.12 1pfh s PHE 2 Ca 0.00 -0.69 -0.12 0.00 -0.96 0.00 0.00 56.93 55.16 1pfh s PHE 2 Cb 0.00 -3.45 0.17 0.00 -0.34 0.00 0.00 43.02 39.39 1pfh s PHE 2 CO 0.00 -0.97 0.57 -0.65 -1.46 0.00 0.00 175.22 172.70 1pfh s GLN 3 N 2.32 3.08 -0.27 10.12 -0.21 -1.26 -0.72 119.66 132.72 1pfh s GLN 3 Ca 0.11 -2.14 -0.04 0.00 0.02 0.00 0.00 55.36 53.32 1pfh s GLN 3 Cb -0.21 -4.20 0.02 0.00 1.00 0.00 0.00 33.01 29.62 1pfh s GLN 3 CO 0.10 -1.27 -0.00 -1.14 -2.12 0.00 0.00 175.29 170.86 1pfh s GLN 4 N 0.75 2.88 -0.51 2.91 0.74 -0.23 -4.95 119.66 121.24 1pfh s GLN 4 Ca 0.11 -0.97 -0.24 0.00 0.05 0.00 0.00 55.36 54.32 1pfh s GLN 4 Cb -0.20 -3.15 0.04 0.00 1.10 0.00 0.00 33.01 30.80 1pfh s GLN 4 CO -0.03 -0.44 0.90 -2.00 -0.55 0.00 0.00 175.29 173.17 1pfh s GLU 5 N 1.38 3.38 0.00 1.67 2.12 -1.26 -0.93 118.70 125.05 1pfh s GLU 5 Ca 0.00 -0.17 0.06 0.00 0.36 0.00 0.00 54.97 55.23 1pfh s GLU 5 Cb -0.17 -4.01 -0.03 0.00 0.26 0.00 0.00 34.13 30.18 1pfh s GLU 5 CO -0.02 -1.36 -0.18 0.14 -0.54 0.00 0.00 175.26 173.30 1pfh s VAL 6 N 3.76 2.77 -0.35 3.70 -7.23 0.00 -4.94 120.40 118.12 1pfh s VAL 6 Ca 0.31 -1.01 -0.16 0.00 -1.81 0.00 0.00 61.98 59.31 1pfh s VAL 6 Cb -0.12 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 1pfh s VAL 6 CO 0.21 0.46 0.39 0.42 -0.31 0.00 0.00 175.10 176.28 1pfh s THR 7 N -0.81 5.14 -0.10 5.32 -4.23 -1.26 -0.36 115.64 119.34 1pfh s THR 7 Ca 0.13 0.08 -0.29 0.00 -1.18 0.00 0.00 61.69 60.43 1pfh s THR 7 Cb -0.10 -3.86 -0.05 0.00 1.34 0.00 0.00 72.50 69.83 1pfh s THR 7 CO 0.03 -0.13 1.69 -0.63 -0.54 0.00 0.00 174.62 175.03 1pfh s ILE 8 N 2.09 3.55 -0.14 2.99 1.01 -1.03 -4.91 121.20 124.76 1pfh s ILE 8 Ca 0.13 0.65 0.15 0.00 0.00 0.00 0.00 60.65 61.58 1pfh s ILE 8 Cb -0.16 -3.47 -0.24 0.00 0.01 0.00 0.00 42.46 38.60 1pfh s ILE 8 CO 0.12 -0.11 0.30 0.35 0.00 0.00 0.00 174.94 175.60 1pfh n THR 9 N 5.82 1.48 -1.70 2.92 -2.24 -1.26 -0.28 114.28 119.02 1pfh n THR 9 Ca 0.18 -0.82 -0.62 0.00 -2.27 0.00 0.00 64.05 60.52 1pfh n THR 9 Cb 0.43 -0.73 -0.08 0.00 -2.10 0.00 0.00 70.33 67.85 1pfh n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pfh n ALA 10 N -2.69 -1.11 0.04 6.98 0.00 -1.26 -4.71 120.51 117.76 1pfh n ALA 10 Ca -0.27 0.47 -0.11 0.00 0.00 0.00 0.00 53.44 53.52 1pfh n ALA 10 Cb 1.11 -2.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.48 1pfh n ALA 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1pfh h PRO 11 N 5.62 -0.42 0.09 0.00 0.11 -1.94 -2.55 132.00 132.91 1pfh h PRO 11 Ca -0.46 0.03 -0.35 0.00 0.11 0.00 0.00 66.00 65.33 1pfh h PRO 11 Cb 1.35 0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.53 1pfh h PRO 11 CO 0.92 -0.28 -1.95 0.27 -0.21 0.00 0.00 178.00 176.75 1pfh n ASN 12 N -5.41 1.78 0.00 -2.05 0.23 -1.26 -3.63 115.26 104.92 1pfh n ASN 12 Ca -0.04 0.24 0.00 0.00 -0.53 0.00 0.00 54.58 54.25 1pfh n ASN 12 Cb 0.32 -0.62 0.00 0.00 -2.08 0.00 0.00 39.78 37.40 1pfh n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pfh n GLY 13 N 1.89 0.67 3.90 4.83 0.00 -1.11 -4.30 105.19 111.08 1pfh n GLY 13 Ca -0.29 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 1pfh n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pfh s LEU 14 N 0.00 4.26 0.12 0.99 1.02 0.21 -4.95 118.68 120.33 1pfh s LEU 14 Ca 0.00 0.54 -0.25 0.00 0.02 0.00 0.00 54.13 54.44 1pfh s LEU 14 Cb 0.00 -3.27 -0.07 0.00 0.02 0.00 0.00 46.19 42.87 1pfh s LEU 14 CO 0.00 0.04 1.43 0.71 0.02 0.00 0.00 176.35 178.55 1pfh h THR 16 N 1.95 0.00 -0.25 5.49 1.35 -1.95 -0.03 112.91 119.48 1pfh h THR 16 Ca -0.46 0.00 -0.19 0.00 -0.55 0.00 0.00 66.41 65.21 1pfh h THR 16 Cb 1.17 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1pfh h THR 16 CO 0.72 0.00 -0.59 0.03 -0.25 0.00 0.00 175.52 175.43 1pfh h ARG 17 N -0.09 0.84 -0.39 4.72 3.08 -1.99 -2.20 114.38 118.35 1pfh h ARG 17 Ca 0.11 -0.57 -0.08 0.00 0.07 0.00 0.00 59.98 59.50 1pfh h ARG 17 Cb 0.37 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1pfh h ARG 17 CO -0.67 1.20 -0.09 -1.35 -1.07 0.00 0.00 179.97 177.99 1pfh h PRO 18 N 0.61 0.67 -0.94 0.04 0.11 -1.91 -3.06 132.00 127.51 1pfh h PRO 18 Ca -0.00 -0.20 0.14 0.00 0.11 0.00 0.00 66.00 66.05 1pfh h PRO 18 Cb 1.21 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 32.17 1pfh h PRO 18 CO 0.13 0.75 0.60 0.00 -0.21 0.00 0.00 178.00 179.27 1pfh h ALA 19 N 1.29 1.72 -0.58 -0.75 0.00 -0.77 -1.82 119.26 118.35 1pfh h ALA 19 Ca 0.11 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1pfh h ALA 19 Cb 0.52 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1pfh h ALA 19 CO 0.03 0.02 0.26 0.00 0.00 0.00 0.00 179.25 179.56 1pfh h ALA 20 N 1.58 0.75 -0.58 0.00 0.00 -1.29 -1.12 119.26 118.60 1pfh h ALA 20 Ca 0.48 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.50 1pfh h ALA 20 Cb 0.67 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1pfh h ALA 20 CO -0.25 -0.12 0.29 1.96 0.00 0.00 0.00 179.25 181.14 1pfh h GLN 21 N 0.48 0.53 -0.26 0.00 7.50 -1.41 -2.86 115.11 119.10 1pfh h GLN 21 Ca 0.27 -0.03 -0.00 0.00 0.50 0.00 0.00 58.65 59.39 1pfh h GLN 21 Cb 0.26 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.66 1pfh h GLN 21 CO -0.23 0.35 0.15 0.35 -1.50 0.00 0.00 178.83 177.95 1pfh h PHE 22 N 0.55 0.35 0.12 2.96 3.04 -1.11 -2.39 116.94 120.46 1pfh h PHE 22 Ca 0.26 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.22 1pfh h PHE 22 Cb 0.19 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.56 1pfh h PHE 22 CO -0.10 0.28 -0.22 0.28 -2.02 0.00 0.00 178.31 176.52 1pfh h VAL 23 N 0.32 0.50 -0.65 1.41 2.07 -1.10 0.01 116.25 118.82 1pfh h VAL 23 Ca 0.09 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1pfh h VAL 23 Cb 0.03 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1pfh h VAL 23 CO -0.02 0.00 0.27 0.07 0.02 0.00 0.00 177.57 177.92 1pfh h LYS 24 N -0.42 0.93 0.26 1.57 2.10 -1.44 0.36 116.57 119.92 1pfh h LYS 24 Ca 0.03 -0.14 -0.01 0.00 -2.00 0.00 0.00 60.65 58.52 1pfh h LYS 24 Cb 0.44 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 1pfh h LYS 24 CO -0.12 0.75 -0.12 1.49 -2.00 0.00 0.00 179.45 179.45 1pfh h GLU 25 N 0.92 -0.33 -0.61 0.07 4.57 -1.14 -1.35 114.58 116.72 1pfh h GLU 25 Ca 0.22 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.48 1pfh h GLU 25 Cb 0.15 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.77 1pfh h GLU 25 CO -0.02 -0.15 0.33 0.00 -1.18 0.00 0.00 179.01 177.98 1pfh h ALA 26 N 0.29 0.80 0.00 2.92 0.00 -0.79 -1.08 119.26 121.40 1pfh h ALA 26 Ca -0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1pfh h ALA 26 Cb 0.33 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1pfh h ALA 26 CO 0.06 0.00 -0.11 -0.22 0.00 0.00 0.00 179.25 178.97 1pfh h LYS 27 N 0.62 0.00 0.00 0.00 3.64 -0.75 -1.95 116.57 118.13 1pfh h LYS 27 Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1pfh h LYS 27 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1pfh h LYS 27 CO -0.17 0.11 0.00 0.41 -2.27 0.00 0.00 179.45 177.53 1pfh n GLY 28 N -0.75 -0.74 3.91 5.01 0.00 -0.41 -4.70 105.19 107.51 1pfh n GLY 28 Ca -0.02 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1pfh n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pfh s PHE 29 N -2.59 3.54 0.19 1.61 0.40 -0.73 -5.04 117.98 115.35 1pfh s PHE 29 Ca 0.12 0.31 -0.10 0.00 -0.60 0.00 0.00 56.93 56.67 1pfh s PHE 29 Cb 0.09 -1.80 0.11 0.00 0.51 0.00 0.00 43.02 41.93 1pfh s PHE 29 CO 0.21 0.62 1.73 1.79 0.70 0.00 0.00 175.22 180.27 1pfh h THR 30 N 2.46 1.25 -2.31 0.64 1.35 -1.85 -3.44 112.91 111.01 1pfh h THR 30 Ca -0.47 -0.85 -0.60 0.00 -0.55 0.00 0.00 66.41 63.94 1pfh h THR 30 Cb 1.17 0.50 0.07 0.00 -1.73 0.00 0.00 68.15 68.16 1pfh h THR 30 CO 0.72 0.33 0.62 -1.20 -0.25 0.00 0.00 175.52 175.74 1pfh n SER 31 N -4.33 2.56 -4.54 5.36 7.64 -1.26 -4.92 113.62 114.13 1pfh n SER 31 Ca 0.05 1.12 -0.42 0.00 1.01 0.00 0.00 58.87 60.63 1pfh n SER 31 Cb 0.21 -1.37 -0.03 0.00 -1.01 0.00 0.00 64.21 62.00 1pfh n SER 31 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1pfh s GLU 32 N 0.19 3.32 -0.35 1.43 2.12 0.25 -4.79 118.70 120.88 1pfh s GLU 32 Ca 0.75 -0.16 -0.21 0.00 0.36 0.00 0.00 54.97 55.70 1pfh s GLU 32 Cb -0.73 -4.10 0.00 0.00 0.26 0.00 0.00 34.13 29.57 1pfh s GLU 32 CO 0.45 -1.78 0.68 0.42 -0.54 0.00 0.00 175.26 174.49 1pfh s ILE 33 N 4.79 4.86 -0.07 -3.70 1.01 -1.26 -0.72 121.20 126.10 1pfh s ILE 33 Ca 0.35 0.72 0.02 0.00 0.00 0.00 0.00 60.65 61.74 1pfh s ILE 33 Cb -0.10 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 1pfh s ILE 33 CO 0.19 -0.31 -0.10 0.42 0.00 0.00 0.00 174.94 175.14 1pfh s THR 34 N 2.79 3.45 -0.24 2.92 -4.23 -0.23 -0.93 115.64 119.17 1pfh s THR 34 Ca 0.26 -0.57 -0.02 0.00 -1.18 0.00 0.00 61.69 60.19 1pfh s THR 34 Cb -0.14 -2.40 0.02 0.00 1.34 0.00 0.00 72.50 71.32 1pfh s THR 34 CO 0.15 0.59 -0.06 -0.69 -0.54 0.00 0.00 174.62 174.06 1pfh s VAL 35 N -0.67 2.95 -0.17 2.29 1.01 0.20 -0.47 120.40 125.55 1pfh s VAL 35 Ca 0.10 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 1pfh s VAL 35 Cb -0.11 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 1pfh s VAL 35 CO 0.01 0.25 -0.06 -0.89 0.00 0.00 0.00 175.10 174.42 1pfh s THR 36 N 1.36 3.61 -0.21 3.92 2.01 -0.80 -0.47 115.64 125.05 1pfh s THR 36 Ca 0.02 -0.45 -0.03 0.00 0.31 0.00 0.00 61.69 61.53 1pfh s THR 36 Cb -0.16 -2.58 0.07 0.00 0.01 0.00 0.00 72.50 69.84 1pfh s THR 36 CO -0.05 0.48 0.07 -0.44 -0.69 0.00 0.00 174.62 173.99 1pfh s SER 37 N 0.62 2.97 -0.30 3.53 0.01 0.04 -0.90 113.70 119.67 1pfh s SER 37 Ca -0.04 -0.92 -0.06 0.00 1.31 0.00 0.00 55.95 56.25 1pfh s SER 37 Cb -0.15 -0.51 0.01 0.00 0.21 0.00 0.00 66.02 65.58 1pfh s SER 37 CO 0.03 -0.34 0.18 -0.46 0.41 0.00 0.00 173.24 173.05 1pfh n ASN 38 N 5.11 -1.24 0.00 2.44 0.23 -1.26 -0.71 115.26 119.83 1pfh n ASN 38 Ca -0.07 -0.34 0.00 0.00 -0.53 0.00 0.00 54.58 53.64 1pfh n ASN 38 Cb 0.46 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 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 -1.09 3.13 3.56 4.83 0.00 -1.26 -5.02 105.19 109.35 1pfh n GLY 39 Ca -0.06 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 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 3.30 -0.54 1.61 1.02 0.12 -4.93 119.74 120.31 1pfh s LYS 40 Ca 0.00 -0.92 -0.18 0.00 0.02 0.00 0.00 55.97 54.89 1pfh s LYS 40 Cb 0.00 -5.28 0.09 0.00 -0.52 0.00 0.00 37.83 32.12 1pfh s LYS 40 CO 0.00 -2.57 0.60 0.45 -0.92 0.00 0.00 175.35 172.91 1pfh s SER 41 N 5.84 6.19 -0.16 2.83 0.15 -1.26 -0.78 113.70 126.50 1pfh s SER 41 Ca 0.54 -1.33 0.01 0.00 0.70 0.00 0.00 55.95 55.86 1pfh s SER 41 Cb -0.02 -2.27 0.01 0.00 -1.71 0.00 0.00 66.02 62.04 1pfh s SER 41 CO -0.06 -0.94 -0.19 0.00 1.20 0.00 0.00 173.24 173.25 1pfh s ALA 42 N 2.34 2.37 0.00 5.45 0.00 0.37 -4.96 121.76 127.34 1pfh s ALA 42 Ca 0.10 -1.12 -0.34 0.00 0.00 0.00 0.00 51.96 50.59 1pfh s ALA 42 Cb -0.24 -1.14 -0.13 0.00 0.00 0.00 0.00 23.12 21.61 1pfh s ALA 42 CO 0.07 -0.15 1.75 0.45 0.00 0.00 0.00 175.76 177.89 1pfh n SER 43 N 4.27 3.24 -0.36 0.00 2.88 -1.26 -0.63 113.62 121.76 1pfh n SER 43 Ca -0.20 1.02 0.02 0.00 -1.33 0.00 0.00 58.87 58.39 1pfh n SER 43 Cb 0.51 -1.38 0.07 0.00 -0.75 0.00 0.00 64.21 62.67 1pfh n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pfh n ALA 44 N 5.32 2.51 0.27 -1.46 0.00 -0.11 -2.17 120.51 124.87 1pfh n ALA 44 Ca 0.21 -0.30 0.11 0.00 0.00 0.00 0.00 53.44 53.45 1pfh n ALA 44 Cb 0.28 -0.99 -0.09 0.00 0.00 0.00 0.00 19.45 18.65 1pfh n ALA 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pfh n LYS 45 N -0.00 0.48 -3.62 0.00 5.02 -1.25 -3.89 118.16 114.90 1pfh n LYS 45 Ca 0.06 -0.07 -0.39 0.00 -2.02 0.00 0.00 58.31 55.89 1pfh n LYS 45 Cb 0.18 -1.59 -0.11 0.00 -0.02 0.00 0.00 35.03 33.48 1pfh n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1pfh s SER 46 N -4.34 5.74 0.08 4.39 0.15 -0.92 -5.00 113.70 113.80 1pfh s SER 46 Ca -0.02 -0.32 -0.25 0.00 0.70 0.00 0.00 55.95 56.06 1pfh s SER 46 Cb 0.14 -2.06 -0.10 0.00 -1.71 0.00 0.00 66.02 62.29 1pfh s SER 46 CO 0.86 -0.14 1.40 -0.07 1.20 0.00 0.00 173.24 176.49 1pfh h LEU 47 N 8.38 -1.20 -0.73 3.45 -0.00 -1.90 -2.72 115.31 120.58 1pfh h LEU 47 Ca -0.34 0.13 -0.07 0.00 -0.00 0.00 0.00 57.88 57.61 1pfh h LEU 47 Cb 1.16 0.45 -0.03 0.00 -0.00 0.00 0.00 40.66 42.25 1pfh h LEU 47 CO 0.60 -0.39 0.17 -0.26 -0.00 0.00 0.00 178.44 178.56 1pfh h PHE 48 N -0.51 1.19 -0.08 1.13 0.04 -1.95 -1.29 116.94 115.47 1pfh h PHE 48 Ca 0.00 -0.14 0.02 0.00 2.80 0.00 0.00 57.97 60.65 1pfh h PHE 48 Cb 0.54 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 1pfh h PHE 48 CO -0.46 0.97 -0.04 0.87 -0.60 0.00 0.00 178.31 179.05 1pfh h LYS 49 N 1.08 -0.04 -0.36 1.51 1.57 -1.84 -1.68 116.57 116.81 1pfh h LYS 49 Ca 0.22 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.91 1pfh h LYS 49 Cb 0.37 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1pfh h LYS 49 CO 0.00 -0.02 -0.14 1.25 -0.57 0.00 0.00 179.45 179.96 1pfh h LEU 50 N -0.04 0.75 -2.78 2.94 5.85 -1.15 -2.81 115.31 118.07 1pfh h LEU 50 Ca 0.05 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1pfh h LEU 50 Cb 0.11 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 1pfh h LEU 50 CO -0.11 0.97 0.04 1.56 -0.34 0.00 0.00 178.44 180.56 1pfh h GLN 51 N 0.52 0.00 -0.37 1.25 4.20 -1.07 -0.91 115.11 118.73 1pfh h GLN 51 Ca 0.08 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 1pfh h GLN 51 Cb 0.68 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.41 1pfh h GLN 51 CO 0.05 0.00 0.03 -2.37 -0.67 0.00 0.00 178.83 175.87 1pfh n THR 52 N -3.23 2.47 -0.01 -0.54 5.66 -0.65 -4.49 114.28 113.49 1pfh n THR 52 Ca -0.03 -1.99 -0.12 0.00 -3.05 0.00 0.00 64.05 58.86 1pfh n THR 52 Cb 0.11 -0.29 -0.10 0.00 -1.55 0.00 0.00 70.33 68.51 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 1.86 -0.07 0.00 1.09 6.46 -1.03 -3.50 115.31 120.12 1pfh h LEU 53 Ca 0.09 -0.57 0.00 0.00 -0.12 0.00 0.00 57.88 57.28 1pfh h LEU 53 Cb 1.66 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.60 1pfh h LEU 53 CO 0.35 0.60 0.00 0.61 -0.62 0.00 0.00 178.44 179.38 1pfh n GLY 54 N 0.86 0.21 3.16 3.75 0.00 -1.26 -5.06 105.19 106.86 1pfh n GLY 54 Ca -0.08 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 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 5.73 0.32 0.99 1.43 -1.26 -4.92 118.68 120.97 1pfh s LEU 55 Ca 0.00 -3.62 0.03 0.00 -1.03 0.00 0.00 54.13 49.50 1pfh s LEU 55 Cb 0.00 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 1pfh s LEU 55 CO 0.00 -0.22 0.11 0.28 0.23 0.00 0.00 176.35 176.74 1pfh s THR 56 N -1.22 0.69 -0.36 5.49 -1.32 -1.26 -0.62 115.64 117.04 1pfh s THR 56 Ca 0.27 -2.00 -0.41 0.00 -1.21 0.00 0.00 61.69 58.35 1pfh s THR 56 Cb -0.09 -2.60 -0.16 0.00 -1.51 0.00 0.00 72.50 68.15 1pfh s THR 56 CO -0.11 0.00 1.88 1.67 -2.21 0.00 0.00 174.62 175.85 1pfh n GLN 57 N -0.64 0.81 0.00 7.08 7.27 -0.98 -1.37 117.38 129.55 1pfh n GLN 57 Ca -0.02 0.27 0.00 0.00 0.07 0.00 0.00 57.00 57.33 1pfh n GLN 57 Cb 0.66 -2.00 0.00 0.00 2.41 0.00 0.00 30.24 31.30 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 5.15 2.68 3.63 1.69 0.00 0.61 -5.01 105.19 113.94 1pfh n GLY 58 Ca 0.34 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 1pfh n GLY 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pfh s THR 59 N -2.67 3.14 -0.63 2.61 -4.23 -0.47 -4.69 115.64 108.69 1pfh s THR 59 Ca 0.00 0.15 -0.25 0.00 -1.18 0.00 0.00 61.69 60.41 1pfh s THR 59 Cb 0.00 -3.13 0.04 0.00 1.34 0.00 0.00 72.50 70.75 1pfh s THR 59 CO 0.00 -0.05 1.07 -0.69 -0.54 0.00 0.00 174.62 174.41 1pfh s VAL 60 N 6.05 4.15 -0.26 2.29 1.01 -1.26 -2.47 120.40 129.90 1pfh s VAL 60 Ca 0.90 0.25 -0.05 0.00 0.00 0.00 0.00 61.98 63.07 1pfh s VAL 60 Cb -0.36 -4.70 -0.00 0.00 0.00 0.00 0.00 36.38 31.32 1pfh s VAL 60 CO 0.37 -1.42 0.03 0.68 0.00 0.00 0.00 175.10 174.75 1pfh s VAL 61 N 4.58 3.73 -0.62 2.92 -7.23 0.51 -4.35 120.40 119.94 1pfh s VAL 61 Ca 0.31 -0.58 -0.20 0.00 -1.81 0.00 0.00 61.98 59.70 1pfh s VAL 61 Cb -0.12 -2.83 0.09 0.00 0.56 0.00 0.00 36.38 34.09 1pfh s VAL 61 CO 0.17 0.24 0.80 -0.89 -0.31 0.00 0.00 175.10 175.10 1pfh s THR 62 N 1.49 4.66 -0.77 5.32 2.01 -0.08 -0.82 115.64 127.46 1pfh s THR 62 Ca 0.04 -0.81 -0.26 0.00 0.31 0.00 0.00 61.69 60.96 1pfh s THR 62 Cb -0.16 -4.56 0.02 0.00 0.01 0.00 0.00 72.50 67.82 1pfh s THR 62 CO 0.00 -1.24 1.39 -0.63 -0.69 0.00 0.00 174.62 173.45 1pfh s ILE 63 N 3.11 3.70 -0.48 1.82 1.09 -0.11 -1.91 121.20 128.42 1pfh s ILE 63 Ca 0.15 0.18 -0.13 0.00 -1.10 0.00 0.00 60.65 59.76 1pfh s ILE 63 Cb -0.21 -4.80 0.11 0.00 -1.06 0.00 0.00 42.46 36.49 1pfh s ILE 63 CO 0.07 -1.73 0.39 -0.44 -0.10 0.00 0.00 174.94 173.13 1pfh s SER 64 N 4.57 5.93 -0.47 3.58 0.01 0.38 -1.06 113.70 126.64 1pfh s SER 64 Ca 0.41 -1.69 -0.14 0.00 1.31 0.00 0.00 55.95 55.84 1pfh s SER 64 Cb -0.07 -2.10 0.08 0.00 0.21 0.00 0.00 66.02 64.14 1pfh s SER 64 CO 0.11 -0.71 0.38 0.00 0.41 0.00 0.00 173.24 173.44 1pfh s ALA 65 N 1.50 3.52 -0.73 1.44 0.00 0.10 -1.07 121.76 126.52 1pfh s ALA 65 Ca 0.04 -2.18 -0.20 0.00 0.00 0.00 0.00 51.96 49.62 1pfh s ALA 65 Cb -0.26 -3.01 0.11 0.00 0.00 0.00 0.00 23.12 19.95 1pfh s ALA 65 CO 0.02 -1.75 0.92 -2.00 0.00 0.00 0.00 175.76 172.96 1pfh s GLU 66 N 1.59 3.27 0.00 0.00 2.12 0.10 -2.12 118.70 123.66 1pfh s GLU 66 Ca 0.04 -1.38 0.00 0.00 0.36 0.00 0.00 54.97 53.99 1pfh s GLU 66 Cb -0.25 -4.47 0.00 0.00 0.26 0.00 0.00 34.13 29.67 1pfh s GLU 66 CO 0.05 -1.69 0.00 0.41 -0.54 0.00 0.00 175.26 173.49 1pfh n GLY 67 N 5.28 -1.50 0.14 -1.50 0.00 -1.26 -0.58 105.19 105.77 1pfh n GLY 67 Ca 0.04 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 0.40 -1.39 1.61 5.08 -1.96 -3.26 114.58 115.05 1pfh h GLU 68 Ca 0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1pfh h GLU 68 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1pfh h GLU 68 CO 0.00 0.67 0.00 -0.40 -1.00 0.00 0.00 179.01 178.28 1pfh n ASP 69 N -4.60 3.68 0.02 1.42 5.75 -1.26 -4.67 116.55 116.89 1pfh n ASP 69 Ca -0.05 -2.07 -0.01 0.00 -0.01 0.00 0.00 54.79 52.65 1pfh n ASP 69 Cb 0.30 -0.70 -0.01 0.00 -1.03 0.00 0.00 41.12 39.69 1pfh n ASP 69 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1pfh h GLU 70 N 0.47 -0.07 -0.75 0.11 4.11 -1.82 0.47 114.58 117.10 1pfh h GLU 70 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.55 1pfh h GLU 70 Cb 0.95 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 1pfh h GLU 70 CO 0.00 -0.04 0.49 -0.56 0.07 0.00 0.00 179.01 178.97 1pfh h GLN 71 N -0.07 0.54 -0.15 1.06 -0.00 -1.89 -2.55 115.11 112.06 1pfh h GLN 71 Ca -0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.59 1pfh h GLN 71 Cb 0.06 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.48 27.41 1pfh h GLN 71 CO -0.01 0.36 0.00 0.87 -0.00 0.00 0.00 178.83 180.05 1pfh h LYS 72 N 0.56 0.25 -0.33 0.06 1.57 -1.76 0.18 116.57 117.10 1pfh h LYS 72 Ca 0.36 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 59.12 1pfh h LYS 72 Cb 0.62 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.85 1pfh h LYS 72 CO -0.13 0.48 -0.05 0.00 -0.57 0.00 0.00 179.45 179.18 1pfh h ALA 73 N 0.77 0.25 0.02 3.86 0.00 -0.69 -2.32 119.26 121.15 1pfh h ALA 73 Ca 0.04 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1pfh h ALA 73 Cb 0.36 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1pfh h ALA 73 CO 0.01 -0.44 -0.01 0.28 0.00 0.00 0.00 179.25 179.09 1pfh h VAL 74 N 0.03 1.06 -0.43 0.00 2.07 -1.24 -2.08 116.25 115.65 1pfh h VAL 74 Ca 0.16 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.53 1pfh h VAL 74 Cb 0.24 1.20 -0.09 0.00 -1.52 0.00 0.00 31.29 31.12 1pfh h VAL 74 CO -0.32 0.06 -0.49 -0.08 0.02 0.00 0.00 177.57 176.75 1pfh h GLU 75 N -0.11 -0.34 0.02 1.57 4.81 -0.40 0.12 114.58 120.24 1pfh h GLU 75 Ca -0.00 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1pfh h GLU 75 Cb 0.11 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1pfh h GLU 75 CO 0.00 -0.23 -0.08 1.25 -0.73 0.00 0.00 179.01 179.23 1pfh h HIS 76 N -0.35 -0.19 -0.78 0.92 2.76 -1.36 -2.22 115.15 113.93 1pfh h HIS 76 Ca 0.11 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.26 1pfh h HIS 76 Cb 0.59 0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.60 1pfh h HIS 76 CO -0.69 -0.12 0.40 -0.07 -1.30 0.00 0.00 177.93 176.15 1pfh h LEU 77 N -0.14 0.98 0.28 0.26 3.38 -0.74 0.96 115.31 120.29 1pfh h LEU 77 Ca 0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1pfh h LEU 77 Cb 0.17 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1pfh h LEU 77 CO -0.06 0.81 -0.13 0.58 0.09 0.00 0.00 178.44 179.73 1pfh h VAL 78 N 1.09 0.76 -0.15 1.22 2.07 -0.66 -1.82 116.25 118.77 1pfh h VAL 78 Ca 0.27 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.60 1pfh h VAL 78 Cb 0.07 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 1pfh h VAL 78 CO -0.04 0.05 -0.18 0.11 0.02 0.00 0.00 177.57 177.54 1pfh h LYS 79 N -0.49 -0.21 -0.15 1.57 1.57 -0.90 -0.95 116.57 117.02 1pfh h LYS 79 Ca -0.04 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1pfh h LYS 79 Cb 0.37 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.66 1pfh h LYS 79 CO 0.06 -0.14 -0.47 1.25 -0.57 0.00 0.00 179.45 179.59 1pfh h LEU 80 N -0.21 -1.47 -1.35 2.94 5.85 -0.84 0.11 115.31 120.33 1pfh h LEU 80 Ca 0.10 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 1pfh h LEU 80 Cb 0.36 0.59 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1pfh h LEU 80 CO -0.27 -0.45 0.25 -0.03 -0.34 0.00 0.00 178.44 177.60 1pfh h MET 81 N -0.52 0.69 0.14 1.25 4.05 -1.07 -3.26 114.93 116.23 1pfh h MET 81 Ca 0.06 -0.08 -0.33 0.00 -0.28 0.00 0.00 59.70 59.08 1pfh h MET 81 Cb 0.65 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.31 1pfh h MET 81 CO -0.42 0.53 -1.70 0.00 0.23 0.00 0.00 176.91 175.55 1pfh h ALA 82 N 1.58 0.27 0.00 0.39 0.00 -0.13 -3.38 119.26 117.99 1pfh h ALA 82 Ca 0.18 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1pfh h ALA 82 Cb 0.06 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1pfh h ALA 82 CO -0.03 1.13 0.00 0.39 0.00 0.00 0.00 179.25 180.75 1pfh n GLU 83 N -3.50 0.86 -4.41 0.00 1.02 0.28 -4.81 120.64 110.08 1pfh n GLU 83 Ca -0.22 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.71 1pfh n GLU 83 Cb 1.06 -1.07 -0.10 0.00 -0.02 0.00 0.00 31.44 31.31 1pfh n GLU 83 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pfh s LEU 84 N 0.00 2.57 0.00 -4.62 1.43 -1.26 -5.02 118.68 111.77 1pfh s LEU 84 Ca 0.00 -1.07 0.07 0.00 -1.03 0.00 0.00 54.13 52.10 1pfh s LEU 84 Cb 0.00 -0.81 0.05 0.00 0.03 0.00 0.00 46.19 45.46 1pfh s LEU 84 CO 0.00 -0.15 0.71 -0.62 0.23 0.00 0.00 176.35 176.52