#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 2.34 0.04 1.12 5.36 -0.89 -5.05 117.98 120.90 1pfh s PHE 2 Ca 0.00 -0.85 0.04 0.00 -0.96 0.00 0.00 56.93 55.15 1pfh s PHE 2 Cb 0.00 -1.56 -0.02 0.00 -0.34 0.00 0.00 43.02 41.10 1pfh s PHE 2 CO 0.00 -0.32 -0.11 -1.14 -1.46 0.00 0.00 175.22 172.19 1pfh s GLN 3 N 0.19 0.71 0.14 10.12 0.74 -1.26 -1.36 119.66 128.94 1pfh s GLN 3 Ca -0.13 -0.71 0.11 0.00 0.05 0.00 0.00 55.36 54.69 1pfh s GLN 3 Cb -0.16 -0.64 -0.04 0.00 1.10 0.00 0.00 33.01 33.27 1pfh s GLN 3 CO 0.06 0.15 -0.24 -0.65 -0.55 0.00 0.00 175.29 174.06 1pfh s GLN 4 N -1.23 1.50 -0.39 1.67 -0.21 -0.78 -4.99 119.66 115.24 1pfh s GLN 4 Ca -0.03 -1.35 0.01 0.00 0.02 0.00 0.00 55.36 54.02 1pfh s GLN 4 Cb -0.08 -1.93 0.11 0.00 1.00 0.00 0.00 33.01 32.11 1pfh s GLN 4 CO 0.01 0.45 0.14 -2.00 -2.12 0.00 0.00 175.29 171.76 1pfh s GLU 5 N -2.21 1.75 0.11 2.91 2.12 -1.26 -0.61 118.70 121.52 1pfh s GLU 5 Ca 0.16 -1.96 0.10 0.00 0.36 0.00 0.00 54.97 53.63 1pfh s GLU 5 Cb -0.10 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 1pfh s GLU 5 CO 0.08 -1.01 -0.24 0.14 -0.54 0.00 0.00 175.26 173.68 1pfh s VAL 6 N 0.83 2.01 -0.05 3.70 -7.23 -0.36 -4.93 120.40 114.37 1pfh s VAL 6 Ca 0.11 -1.63 -0.04 0.00 -1.81 0.00 0.00 61.98 58.60 1pfh s VAL 6 Cb -0.21 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 1pfh s VAL 6 CO -0.06 0.05 0.15 0.42 -0.31 0.00 0.00 175.10 175.34 1pfh s THR 7 N -1.08 5.32 -0.33 5.32 -4.23 -1.26 -0.07 115.64 119.31 1pfh s THR 7 Ca 0.11 -0.06 -0.28 0.00 -1.18 0.00 0.00 61.69 60.28 1pfh s THR 7 Cb -0.10 -3.41 0.02 0.00 1.34 0.00 0.00 72.50 70.35 1pfh s THR 7 CO 0.05 0.45 1.03 -0.63 -0.54 0.00 0.00 174.62 174.98 1pfh s ILE 8 N -1.18 4.53 -0.23 2.99 1.09 -0.30 -4.92 121.20 123.19 1pfh s ILE 8 Ca 0.21 1.60 0.08 0.00 -1.10 0.00 0.00 60.65 61.44 1pfh s ILE 8 Cb -0.12 -4.39 -0.20 0.00 -1.06 0.00 0.00 42.46 36.69 1pfh s ILE 8 CO 0.12 -0.49 -0.10 0.35 -0.10 0.00 0.00 174.94 174.72 1pfh n THR 9 N 5.89 1.46 -1.65 2.92 -2.24 -1.26 -2.78 114.28 116.62 1pfh n THR 9 Ca 0.11 -0.68 -0.42 0.00 -2.27 0.00 0.00 64.05 60.78 1pfh n THR 9 Cb 0.47 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 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 -3.06 0.64 -0.21 6.98 0.00 -1.26 -4.95 120.51 118.65 1pfh n ALA 10 Ca -0.41 0.29 -0.04 0.00 0.00 0.00 0.00 53.44 53.28 1pfh n ALA 10 Cb 1.06 -2.16 0.06 0.00 0.00 0.00 0.00 19.45 18.41 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 1.95 0.70 0.00 0.00 0.11 -1.93 -3.27 132.00 129.56 1pfh h PRO 11 Ca -0.45 -0.04 -0.27 0.00 0.11 0.00 0.00 66.00 65.35 1pfh h PRO 11 Cb 1.32 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 1pfh h PRO 11 CO 0.59 0.47 -2.03 0.27 -0.21 0.00 0.00 178.00 177.09 1pfh n ASN 12 N -4.74 1.30 0.00 -2.05 0.23 -1.26 -4.31 115.26 104.43 1pfh n ASN 12 Ca 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.11 1pfh n ASN 12 Cb 0.09 0.88 0.00 0.00 -2.08 0.00 0.00 39.78 38.67 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 2.07 0.86 0.00 4.83 0.00 -1.23 -4.17 105.19 107.55 1pfh n GLY 13 Ca -0.24 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.18 0.99 4.32 -0.26 -4.85 117.00 117.02 1pfh n LEU 14 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.98 1pfh n LEU 14 Cb 0.00 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 41.88 1pfh n LEU 14 CO 0.00 0.00 0.85 0.71 -1.22 0.00 0.00 177.39 177.73 1pfh h THR 16 N 0.00 0.58 0.14 -5.08 1.35 -1.91 0.17 112.91 108.15 1pfh h THR 16 Ca 0.00 -0.04 -0.26 0.00 -0.55 0.00 0.00 66.41 65.56 1pfh h THR 16 Cb 0.00 0.44 0.01 0.00 -1.73 0.00 0.00 68.15 66.87 1pfh h THR 16 CO 0.00 0.02 -1.23 0.03 -0.25 0.00 0.00 175.52 174.09 1pfh h ARG 17 N 0.13 0.30 -0.64 4.72 3.08 -2.00 -2.63 114.38 117.34 1pfh h ARG 17 Ca 0.28 -0.51 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 1pfh h ARG 17 Cb 0.43 0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 1pfh h ARG 17 CO -0.45 1.25 0.30 -1.35 -1.07 0.00 0.00 179.97 178.64 1pfh h PRO 18 N -0.26 0.90 -0.84 0.04 0.11 -1.92 -0.44 132.00 129.59 1pfh h PRO 18 Ca -0.25 -0.12 0.24 0.00 0.11 0.00 0.00 66.00 65.98 1pfh h PRO 18 Cb 1.78 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.68 1pfh h PRO 18 CO 0.12 0.70 0.60 0.00 -0.21 0.00 0.00 178.00 179.21 1pfh h ALA 19 N 1.43 2.73 -0.81 -0.75 0.00 -0.78 -2.00 119.26 119.09 1pfh h ALA 19 Ca 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1pfh h ALA 19 Cb 0.10 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1pfh h ALA 19 CO -0.03 -0.98 0.39 0.00 0.00 0.00 0.00 179.25 178.63 1pfh h ALA 20 N 1.58 1.04 -0.32 0.00 0.00 -0.67 -0.88 119.26 120.01 1pfh h ALA 20 Ca 0.41 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1pfh h ALA 20 Cb 1.56 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1pfh h ALA 20 CO -0.02 0.60 -0.19 1.96 0.00 0.00 0.00 179.25 181.60 1pfh h GLN 21 N 1.14 0.59 -0.17 0.00 7.50 -1.41 -2.36 115.11 120.40 1pfh h GLN 21 Ca 0.28 -0.21 -0.01 0.00 0.50 0.00 0.00 58.65 59.21 1pfh h GLN 21 Cb 0.12 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.60 1pfh h GLN 21 CO -0.03 0.75 0.09 0.35 -1.50 0.00 0.00 178.83 178.48 1pfh h PHE 22 N 0.53 0.24 -0.43 2.96 3.04 -0.96 0.24 116.94 122.56 1pfh h PHE 22 Ca 0.08 -0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.11 1pfh h PHE 22 Cb 0.62 -0.08 -0.09 0.00 2.56 0.00 0.00 35.95 38.97 1pfh h PHE 22 CO 0.02 0.26 -0.15 0.28 -2.02 0.00 0.00 178.31 176.71 1pfh h VAL 23 N 0.16 0.49 -0.57 1.41 2.07 -1.11 0.20 116.25 118.90 1pfh h VAL 23 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1pfh h VAL 23 Cb 0.11 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1pfh h VAL 23 CO -0.01 0.00 0.36 0.50 0.02 0.00 0.00 177.57 178.44 1pfh h LYS 24 N -0.05 0.76 -0.77 1.57 3.11 -1.04 -2.09 116.57 118.06 1pfh h LYS 24 Ca 0.21 -0.06 -0.05 0.00 -2.81 0.00 0.00 60.65 57.94 1pfh h LYS 24 Cb 0.37 -0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 31.40 1pfh h LYS 24 CO -0.47 0.53 0.30 1.49 -2.81 0.00 0.00 179.45 178.48 1pfh h GLU 25 N 0.77 1.16 -0.67 1.90 4.57 -0.03 -3.05 114.58 119.23 1pfh h GLU 25 Ca 0.21 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1pfh h GLU 25 Cb -0.06 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.32 1pfh h GLU 25 CO -0.04 0.95 0.34 0.00 -1.18 0.00 0.00 179.01 179.09 1pfh h ALA 26 N 1.16 0.86 -0.31 2.92 0.00 -0.37 -3.07 119.26 120.44 1pfh h ALA 26 Ca 0.26 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.13 1pfh h ALA 26 Cb 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1pfh h ALA 26 CO -0.02 0.40 0.22 0.87 0.00 0.00 0.00 179.25 180.72 1pfh h LYS 27 N 0.92 0.02 -0.31 0.00 1.57 -1.27 -2.09 116.57 115.41 1pfh h LYS 27 Ca 0.23 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.10 1pfh h LYS 27 Cb 0.08 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1pfh h LYS 27 CO -0.03 0.01 0.34 0.78 -0.57 0.00 0.00 179.45 179.98 1pfh h GLY 28 N 0.02 0.00 -4.85 3.86 0.00 -1.61 -3.43 103.07 97.06 1pfh h GLY 28 Ca 0.15 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.86 1pfh h GLY 28 CO -0.00 0.00 -0.39 -1.36 0.00 0.00 0.00 176.54 174.78 1pfh s PHE 29 N -4.63 3.55 0.10 5.60 0.08 -0.79 -5.03 117.98 116.86 1pfh s PHE 29 Ca -0.04 0.51 -0.22 0.00 0.12 0.00 0.00 56.93 57.29 1pfh s PHE 29 Cb 0.15 -1.95 -0.11 0.00 -0.57 0.00 0.00 43.02 40.55 1pfh s PHE 29 CO 0.55 0.57 1.72 1.79 -0.10 0.00 0.00 175.22 179.75 1pfh h THR 30 N 2.66 0.90 -3.28 0.64 1.35 -1.86 -3.43 112.91 109.89 1pfh h THR 30 Ca -0.48 0.00 -0.58 0.00 -0.55 0.00 0.00 66.41 64.80 1pfh h THR 30 Cb 1.18 0.90 0.15 0.00 -1.73 0.00 0.00 68.15 68.65 1pfh h THR 30 CO 0.69 0.00 0.04 -1.54 -0.25 0.00 0.00 175.52 174.46 1pfh n SER 31 N -5.15 0.60 -4.27 5.36 3.41 -1.26 -4.90 113.62 107.41 1pfh n SER 31 Ca -0.06 0.87 -0.44 0.00 -0.26 0.00 0.00 58.87 58.99 1pfh n SER 31 Cb 0.08 -1.34 -0.03 0.00 -0.26 0.00 0.00 64.21 62.66 1pfh n SER 31 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1pfh s GLU 32 N -2.37 3.50 -0.35 4.33 2.12 -1.25 -4.93 118.70 119.75 1pfh s GLU 32 Ca 0.70 -2.67 -0.38 0.00 0.36 0.00 0.00 54.97 52.98 1pfh s GLU 32 Cb -0.47 -4.29 -0.14 0.00 0.26 0.00 0.00 34.13 29.49 1pfh s GLU 32 CO 0.52 -1.26 2.08 -0.89 -0.54 0.00 0.00 175.26 175.17 1pfh n ILE 33 N 3.53 0.19 -3.96 -3.70 2.08 -1.25 -4.60 119.36 111.65 1pfh n ILE 33 Ca 0.15 -0.17 -0.35 0.00 0.56 0.00 0.00 62.75 62.95 1pfh n ILE 33 Cb 0.43 -1.37 -0.06 0.00 -0.75 0.00 0.00 39.64 37.90 1pfh n ILE 33 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1pfh s THR 34 N 6.23 5.27 -0.21 1.39 -4.23 0.11 -1.18 115.64 123.02 1pfh s THR 34 Ca 1.09 -0.08 -0.00 0.00 -1.18 0.00 0.00 61.69 61.52 1pfh s THR 34 Cb -1.01 -3.38 0.05 0.00 1.34 0.00 0.00 72.50 69.50 1pfh s THR 34 CO 0.56 0.45 -0.04 -0.69 -0.54 0.00 0.00 174.62 174.35 1pfh s VAL 35 N -1.17 1.28 -0.17 2.29 1.01 0.58 -0.52 120.40 123.70 1pfh s VAL 35 Ca 0.21 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 1pfh s VAL 35 Cb -0.12 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1pfh s VAL 35 CO 0.12 -0.03 -0.04 -0.89 0.00 0.00 0.00 175.10 174.25 1pfh s THR 36 N 1.53 3.72 -0.04 3.92 2.01 -0.95 -1.69 115.64 124.14 1pfh s THR 36 Ca -0.03 -0.40 0.05 0.00 0.31 0.00 0.00 61.69 61.62 1pfh s THR 36 Cb -0.17 -2.65 -0.01 0.00 0.01 0.00 0.00 72.50 69.68 1pfh s THR 36 CO -0.07 0.47 -0.20 -0.55 -0.69 0.00 0.00 174.62 173.58 1pfh s SER 37 N 0.71 2.47 -1.17 3.53 0.15 -0.54 -3.08 113.70 115.77 1pfh s SER 37 Ca -0.02 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1pfh s SER 37 Cb -0.14 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 1pfh s SER 37 CO 0.02 0.21 0.00 -0.46 1.20 0.00 0.00 173.24 174.21 1pfh n ASN 38 N 2.91 -3.26 0.00 5.45 0.23 -1.26 -0.51 115.26 118.82 1pfh n ASN 38 Ca -0.17 0.27 0.00 0.00 -0.53 0.00 0.00 54.58 54.15 1pfh n ASN 38 Cb 0.53 -3.00 0.00 0.00 -2.08 0.00 0.00 39.78 35.22 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 -0.38 2.42 3.74 4.83 0.00 -1.26 -5.10 105.19 109.44 1pfh n GLY 39 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.12 4.67 -0.21 1.61 3.01 0.33 -5.03 119.74 124.00 1pfh s LYS 40 Ca 0.00 1.37 -0.03 0.00 -1.01 0.00 0.00 55.97 56.30 1pfh s LYS 40 Cb 0.00 -3.36 -0.00 0.00 -1.01 0.00 0.00 37.83 33.46 1pfh s LYS 40 CO 0.00 0.28 -0.08 0.45 0.51 0.00 0.00 175.35 176.51 1pfh s SER 41 N -0.20 4.06 -0.08 2.83 0.15 -1.26 -1.46 113.70 117.74 1pfh s SER 41 Ca 0.44 -0.44 0.03 0.00 0.70 0.00 0.00 55.95 56.68 1pfh s SER 41 Cb -0.23 -1.69 0.01 0.00 -1.71 0.00 0.00 66.02 62.40 1pfh s SER 41 CO 0.29 -0.01 -0.15 0.00 1.20 0.00 0.00 173.24 174.56 1pfh s ALA 42 N 1.41 1.54 0.08 5.45 0.00 -0.68 -5.01 121.76 124.55 1pfh s ALA 42 Ca 0.05 -0.59 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 1pfh s ALA 42 Cb -0.14 -0.67 -0.06 0.00 0.00 0.00 0.00 23.12 22.26 1pfh s ALA 42 CO -0.05 0.12 1.11 0.45 0.00 0.00 0.00 175.76 177.39 1pfh s SER 43 N 0.65 7.22 0.14 0.00 0.15 -1.26 -0.31 113.70 120.29 1pfh s SER 43 Ca -0.14 1.94 -0.12 0.00 0.70 0.00 0.00 55.95 58.34 1pfh s SER 43 Cb -0.16 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.55 1pfh s SER 43 CO 0.04 -0.34 1.53 0.00 1.20 0.00 0.00 173.24 175.68 1pfh h ALA 44 N 6.29 0.62 0.00 5.45 0.00 -1.50 -2.71 119.26 127.41 1pfh h ALA 44 Ca -0.42 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1pfh h ALA 44 Cb 1.21 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1pfh h ALA 44 CO 0.77 0.59 0.10 0.87 0.00 0.00 0.00 179.25 181.58 1pfh h LYS 45 N 0.75 0.00 -4.78 0.00 1.57 -1.81 -3.39 116.57 108.91 1pfh h LYS 45 Ca 0.10 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.20 1pfh h LYS 45 Cb 0.76 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.81 1pfh h LYS 45 CO 0.06 0.00 -0.60 0.45 -0.57 0.00 0.00 179.45 178.79 1pfh s SER 46 N -4.59 5.26 0.05 0.86 0.15 -1.02 -4.95 113.70 109.45 1pfh s SER 46 Ca -0.04 -0.71 -0.33 0.00 0.70 0.00 0.00 55.95 55.57 1pfh s SER 46 Cb 0.10 -1.91 -0.19 0.00 -1.71 0.00 0.00 66.02 62.31 1pfh s SER 46 CO 0.31 -0.21 1.43 0.25 1.20 0.00 0.00 173.24 176.21 1pfh h LEU 47 N 8.27 -0.96 -0.96 3.45 5.85 -1.80 -1.88 115.31 127.27 1pfh h LEU 47 Ca -0.31 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.33 1pfh h LEU 47 Cb 1.13 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 1pfh h LEU 47 CO 0.61 -0.63 -0.47 -0.26 -0.34 0.00 0.00 178.44 177.35 1pfh h PHE 48 N -1.24 0.13 0.62 1.25 0.04 -1.95 -2.05 116.94 113.74 1pfh h PHE 48 Ca -0.12 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.59 1pfh h PHE 48 Cb 0.88 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.99 1pfh h PHE 48 CO -0.00 0.56 -0.43 0.87 -0.60 0.00 0.00 178.31 178.70 1pfh h LYS 49 N 0.09 -0.97 -0.60 1.51 1.79 -1.83 -2.78 116.57 113.78 1pfh h LYS 49 Ca 0.00 0.07 0.05 0.00 -2.18 0.00 0.00 60.65 58.58 1pfh h LYS 49 Cb 0.87 0.22 -0.05 0.00 -1.58 0.00 0.00 32.23 31.69 1pfh h LYS 49 CO 0.07 -0.64 0.33 1.25 -1.08 0.00 0.00 179.45 179.38 1pfh h LEU 50 N -1.00 0.50 -0.64 2.94 5.85 -1.12 -2.99 115.31 118.86 1pfh h LEU 50 Ca -0.08 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1pfh h LEU 50 Cb 0.82 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1pfh h LEU 50 CO 0.05 0.34 0.33 1.56 -0.34 0.00 0.00 178.44 180.38 1pfh h GLN 51 N 0.64 0.90 0.00 1.25 4.20 -1.42 -2.64 115.11 118.03 1pfh h GLN 51 Ca 0.26 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1pfh h GLN 51 Cb 0.13 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1pfh h GLN 51 CO -0.15 0.70 0.00 -2.37 -0.67 0.00 0.00 178.83 176.33 1pfh n THR 52 N -4.52 1.04 0.05 -0.54 5.66 -1.05 -3.89 114.28 111.03 1pfh n THR 52 Ca 0.05 0.34 -0.12 0.00 -3.05 0.00 0.00 64.05 61.26 1pfh n THR 52 Cb 0.10 -1.23 -0.09 0.00 -1.55 0.00 0.00 70.33 67.57 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 0.00 -0.15 0.00 1.09 5.85 -1.52 -3.50 115.31 117.09 1pfh h LEU 53 Ca 0.00 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1pfh h LEU 53 Cb 0.24 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1pfh h LEU 53 CO 0.00 0.33 0.00 0.61 -0.34 0.00 0.00 178.44 179.04 1pfh n GLY 54 N 0.19 0.76 3.07 3.75 0.00 -1.25 -5.03 105.19 106.68 1pfh n GLY 54 Ca -0.09 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 1pfh n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pfh n LEU 55 N 0.00 6.15 -4.49 0.99 4.77 -1.26 -4.92 117.00 118.24 1pfh n LEU 55 Ca 0.00 -4.42 -0.23 0.00 -0.03 0.00 0.00 56.01 51.33 1pfh n LEU 55 Cb 0.00 -1.58 -0.10 0.00 -2.33 0.00 0.00 43.42 39.41 1pfh n LEU 55 CO 0.00 1.02 -0.25 0.28 -1.33 0.00 0.00 177.39 177.11 1pfh s THR 56 N 1.66 1.08 0.30 -5.08 -1.32 -1.26 -1.10 115.64 109.93 1pfh s THR 56 Ca 0.43 -2.00 -0.25 0.00 -1.21 0.00 0.00 61.69 58.67 1pfh s THR 56 Cb 0.07 -2.67 -0.16 0.00 -1.51 0.00 0.00 72.50 68.23 1pfh s THR 56 CO -0.01 0.00 0.32 1.67 -2.21 0.00 0.00 174.62 174.39 1pfh n GLN 57 N -0.78 0.03 0.00 7.08 7.27 -1.26 -2.07 117.38 127.65 1pfh n GLN 57 Ca -0.04 0.01 0.00 0.00 0.07 0.00 0.00 57.00 57.04 1pfh n GLN 57 Cb 0.66 -1.02 0.00 0.00 2.41 0.00 0.00 30.24 32.29 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 2.15 1.88 3.63 1.69 0.00 -1.12 -4.97 105.19 108.45 1pfh n GLY 58 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 3.15 -0.63 2.61 -4.23 -0.88 -4.72 115.64 110.93 1pfh s THR 59 Ca 0.00 0.17 -0.22 0.00 -1.18 0.00 0.00 61.69 60.45 1pfh s THR 59 Cb 0.00 -3.14 0.07 0.00 1.34 0.00 0.00 72.50 70.77 1pfh s THR 59 CO 0.00 -0.05 0.92 -0.69 -0.54 0.00 0.00 174.62 174.26 1pfh s VAL 60 N 5.93 4.40 -0.24 2.29 1.01 -1.26 -1.15 120.40 131.39 1pfh s VAL 60 Ca 0.89 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 62.43 1pfh s VAL 60 Cb -0.36 -4.63 -0.04 0.00 0.00 0.00 0.00 36.38 31.35 1pfh s VAL 60 CO 0.37 -1.36 0.11 0.68 0.00 0.00 0.00 175.10 174.91 1pfh s VAL 61 N 3.85 4.89 -0.47 2.92 -7.23 0.90 -4.76 120.40 120.50 1pfh s VAL 61 Ca 0.22 0.02 -0.26 0.00 -1.81 0.00 0.00 61.98 60.15 1pfh s VAL 61 Cb -0.17 -3.27 0.03 0.00 0.56 0.00 0.00 36.38 33.52 1pfh s VAL 61 CO 0.11 0.35 0.95 0.42 -0.31 0.00 0.00 175.10 176.63 1pfh s THR 62 N 1.19 4.43 -0.37 5.32 -4.23 -1.18 -1.22 115.64 119.57 1pfh s THR 62 Ca 0.06 0.78 -0.11 0.00 -1.18 0.00 0.00 61.69 61.24 1pfh s THR 62 Cb -0.14 -4.47 0.03 0.00 1.34 0.00 0.00 72.50 69.26 1pfh s THR 62 CO 0.05 -0.88 0.20 -0.63 -0.54 0.00 0.00 174.62 172.82 1pfh s ILE 63 N 3.87 4.56 -0.14 2.99 1.01 0.23 -2.24 121.20 131.47 1pfh s ILE 63 Ca 0.38 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 60.19 1pfh s ILE 63 Cb -0.10 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1pfh s ILE 63 CO 0.27 -0.22 -0.18 -0.44 0.00 0.00 0.00 174.94 174.36 1pfh s SER 64 N 1.55 3.47 -0.03 3.58 0.01 0.32 -1.87 113.70 120.74 1pfh s SER 64 Ca 0.02 -0.50 0.05 0.00 1.31 0.00 0.00 55.95 56.83 1pfh s SER 64 Cb -0.19 -1.52 -0.01 0.00 0.21 0.00 0.00 66.02 64.51 1pfh s SER 64 CO 0.07 0.10 -0.17 0.00 0.41 0.00 0.00 173.24 173.64 1pfh s ALA 65 N 0.70 1.50 -0.12 1.44 0.00 -0.47 -0.71 121.76 124.10 1pfh s ALA 65 Ca -0.08 -0.73 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 1pfh s ALA 65 Cb -0.16 -0.44 0.05 0.00 0.00 0.00 0.00 23.12 22.57 1pfh s ALA 65 CO 0.01 0.32 0.07 -2.00 0.00 0.00 0.00 175.76 174.16 1pfh s GLU 66 N -0.21 0.12 0.00 0.00 2.12 -1.26 -2.09 118.70 117.38 1pfh s GLU 66 Ca 0.02 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.40 1pfh s GLU 66 Cb -0.09 -1.37 0.00 0.00 0.26 0.00 0.00 34.13 32.93 1pfh s GLU 66 CO 0.01 -0.53 0.00 0.41 -0.54 0.00 0.00 175.26 174.61 1pfh n GLY 67 N 5.25 -0.66 0.13 -1.50 0.00 -1.26 -3.88 105.19 103.27 1pfh n GLY 67 Ca -0.06 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 1pfh n GLY 67 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pfh h GLU 68 N 0.00 0.34 -0.65 1.61 4.81 -1.98 -3.30 114.58 115.40 1pfh h GLU 68 Ca 0.00 -0.45 -0.27 0.00 -0.13 0.00 0.00 59.36 58.51 1pfh h GLU 68 Cb 0.00 0.15 -0.16 0.00 0.63 0.00 0.00 28.75 29.37 1pfh h GLU 68 CO 0.00 1.15 0.26 -0.40 -0.73 0.00 0.00 179.01 179.29 1pfh n ASP 69 N -3.65 3.75 -0.31 1.04 5.68 -1.26 -4.80 116.55 117.00 1pfh n ASP 69 Ca -0.08 -3.47 0.17 0.00 -0.50 0.00 0.00 54.79 50.92 1pfh n ASP 69 Cb 0.92 -0.72 0.36 0.00 -1.14 0.00 0.00 41.12 40.54 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 1.62 0.21 -0.06 0.11 4.11 -1.87 0.21 114.58 118.91 1pfh h GLU 70 Ca 0.33 -0.01 -0.08 0.00 0.07 0.00 0.00 59.36 59.67 1pfh h GLU 70 Cb 2.21 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.41 1pfh h GLU 70 CO 0.69 0.14 -0.28 -0.56 0.07 0.00 0.00 179.01 179.07 1pfh h GLN 71 N 0.22 0.29 -0.04 1.06 -0.00 -1.89 -3.33 115.11 111.42 1pfh h GLN 71 Ca 0.62 -0.23 -0.15 0.00 -0.00 0.00 0.00 58.65 58.89 1pfh h GLN 71 Cb 1.34 0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 28.85 1pfh h GLN 71 CO -0.67 0.88 -0.65 0.87 -0.00 0.00 0.00 178.83 179.26 1pfh h LYS 72 N -0.23 0.17 0.14 0.06 1.57 -1.35 -2.02 116.57 114.90 1pfh h LYS 72 Ca -0.02 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1pfh h LYS 72 Cb 0.93 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 1pfh h LYS 72 CO 0.06 0.76 -0.20 0.00 -0.57 0.00 0.00 179.45 179.50 1pfh h ALA 73 N 1.20 -0.35 0.18 3.86 0.00 -0.86 -1.83 119.26 121.46 1pfh h ALA 73 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1pfh h ALA 73 Cb 1.17 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1pfh h ALA 73 CO 0.10 -0.73 -0.09 0.28 0.00 0.00 0.00 179.25 178.81 1pfh h VAL 74 N -0.39 0.93 -0.39 0.00 2.07 -1.60 -1.44 116.25 115.42 1pfh h VAL 74 Ca 0.02 -0.57 0.07 0.00 0.82 0.00 0.00 66.70 67.03 1pfh h VAL 74 Cb 0.39 1.27 -0.09 0.00 -1.52 0.00 0.00 31.29 31.35 1pfh h VAL 74 CO -0.09 0.13 -0.44 -0.08 0.02 0.00 0.00 177.57 177.11 1pfh h GLU 75 N -0.52 -0.33 0.97 1.57 4.81 -1.38 -0.64 114.58 119.06 1pfh h GLU 75 Ca -0.02 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1pfh h GLU 75 Cb 0.40 0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.86 1pfh h GLU 75 CO 0.04 -0.22 -0.47 1.25 -0.73 0.00 0.00 179.01 178.88 1pfh h HIS 76 N -0.35 -1.21 -0.68 0.92 2.76 -1.26 -1.52 115.15 113.82 1pfh h HIS 76 Ca 0.13 -0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.32 1pfh h HIS 76 Cb 0.59 0.40 -0.04 0.00 1.55 0.00 0.00 27.41 29.91 1pfh h HIS 76 CO -0.63 -0.75 0.45 -0.07 -1.30 0.00 0.00 177.93 175.62 1pfh h LEU 77 N -1.32 0.65 -0.28 0.26 3.38 -1.01 0.29 115.31 117.28 1pfh h LEU 77 Ca -0.13 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 1pfh h LEU 77 Cb 1.00 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1pfh h LEU 77 CO 0.22 0.44 -0.28 0.58 0.09 0.00 0.00 178.44 179.48 1pfh h VAL 78 N 0.75 1.30 -0.35 1.22 2.07 -1.14 -1.22 116.25 118.89 1pfh h VAL 78 Ca 0.28 -1.45 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 1pfh h VAL 78 Cb 0.17 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1pfh h VAL 78 CO -0.08 0.46 0.01 0.11 0.02 0.00 0.00 177.57 178.09 1pfh h LYS 79 N 0.42 0.53 0.16 1.57 1.57 -0.14 0.26 116.57 120.94 1pfh h LYS 79 Ca 0.04 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1pfh h LYS 79 Cb 0.85 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1pfh h LYS 79 CO 0.07 0.55 -0.14 1.25 -0.57 0.00 0.00 179.45 180.61 1pfh h LEU 80 N 0.51 -0.37 -0.49 2.94 5.85 -0.49 0.10 115.31 123.36 1pfh h LEU 80 Ca 0.11 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.97 1pfh h LEU 80 Cb 0.31 0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.37 1pfh h LEU 80 CO 0.01 -0.22 -0.20 -0.03 -0.34 0.00 0.00 178.44 177.66 1pfh h MET 81 N -0.32 -0.08 0.02 1.25 4.05 -0.68 -1.88 114.93 117.30 1pfh h MET 81 Ca -0.00 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1pfh h MET 81 Cb 0.30 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.11 1pfh h MET 81 CO -0.03 -0.06 -0.03 0.00 0.23 0.00 0.00 176.91 177.03 1pfh h ALA 82 N 1.29 -0.05 -0.16 0.39 0.00 -0.83 -3.24 119.26 116.66 1pfh h ALA 82 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1pfh h ALA 82 Cb 0.45 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1pfh h ALA 82 CO -0.55 -0.54 0.00 0.39 0.00 0.00 0.00 179.25 178.55 1pfh n GLU 83 N -5.13 1.68 0.00 0.00 1.02 0.34 -4.74 120.64 113.81 1pfh n GLU 83 Ca -0.07 -0.70 0.00 0.00 -0.02 0.00 0.00 57.16 56.37 1pfh n GLU 83 Cb 0.07 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1pfh n GLU 83 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1pfh n LEU 84 N 0.09 0.00 -0.09 -4.62 4.77 -0.74 -5.00 117.00 111.40 1pfh n LEU 84 Ca 0.06 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.06 1pfh n LEU 84 Cb 0.32 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1pfh n LEU 84 CO 0.06 -0.00 0.29 -0.62 -1.33 0.00 0.00 177.39 175.79