#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 0.84 -0.03 2.03 5.36 0.65 -4.95 117.98 121.87 1pfh s PHE 2 Ca 0.00 -0.16 0.00 0.00 -0.96 0.00 0.00 56.93 55.81 1pfh s PHE 2 Cb 0.00 -0.55 0.03 0.00 -0.34 0.00 0.00 43.02 42.16 1pfh s PHE 2 CO 0.00 -0.02 0.00 -1.14 -1.46 0.00 0.00 175.22 172.60 1pfh s GLN 3 N -0.17 0.33 -0.25 10.12 0.74 -1.26 -1.06 119.66 128.10 1pfh s GLN 3 Ca 0.03 0.09 0.01 0.00 0.05 0.00 0.00 55.36 55.54 1pfh s GLN 3 Cb -0.04 -0.54 0.07 0.00 1.10 0.00 0.00 33.01 33.60 1pfh s GLN 3 CO -0.00 -0.16 -0.03 -0.65 -0.55 0.00 0.00 175.29 173.90 1pfh s GLN 4 N 1.16 1.58 -0.75 1.67 -0.21 -0.03 -5.00 119.66 118.08 1pfh s GLN 4 Ca -0.08 -1.13 -0.22 0.00 0.02 0.00 0.00 55.36 53.95 1pfh s GLN 4 Cb -0.13 -2.64 0.08 0.00 1.00 0.00 0.00 33.01 31.32 1pfh s GLN 4 CO -0.02 -0.67 1.05 -2.00 -2.12 0.00 0.00 175.29 171.54 1pfh s GLU 5 N 1.33 3.25 -0.20 2.91 2.12 -1.26 -1.17 118.70 125.68 1pfh s GLU 5 Ca -0.03 -1.01 0.01 0.00 0.36 0.00 0.00 54.97 54.31 1pfh s GLU 5 Cb -0.19 -4.44 0.03 0.00 0.26 0.00 0.00 34.13 29.79 1pfh s GLU 5 CO -0.08 -1.86 -0.17 0.14 -0.54 0.00 0.00 175.26 172.75 1pfh s VAL 6 N 3.95 2.05 0.02 3.70 -7.23 -0.81 -4.96 120.40 117.12 1pfh s VAL 6 Ca 0.27 -1.09 -0.30 0.00 -1.81 0.00 0.00 61.98 59.04 1pfh s VAL 6 Cb -0.13 -1.94 -0.06 0.00 0.56 0.00 0.00 36.38 34.82 1pfh s VAL 6 CO 0.05 0.39 1.33 0.42 -0.31 0.00 0.00 175.10 176.98 1pfh s THR 7 N 1.26 3.79 0.02 5.32 -4.23 -1.26 -2.16 115.64 118.37 1pfh s THR 7 Ca 0.02 1.21 -0.30 0.00 -1.18 0.00 0.00 61.69 61.43 1pfh s THR 7 Cb -0.15 -3.78 -0.06 0.00 1.34 0.00 0.00 72.50 69.86 1pfh s THR 7 CO -0.11 0.03 1.36 -0.63 -0.54 0.00 0.00 174.62 174.73 1pfh s ILE 8 N 1.94 3.72 -0.23 2.99 1.01 -0.60 -4.94 121.20 125.09 1pfh s ILE 8 Ca 0.62 1.15 0.05 0.00 0.00 0.00 0.00 60.65 62.47 1pfh s ILE 8 Cb -0.31 -3.74 -0.20 0.00 0.01 0.00 0.00 42.46 38.23 1pfh s ILE 8 CO 0.27 0.02 -0.09 0.35 0.00 0.00 0.00 174.94 175.49 1pfh n THR 9 N 4.45 1.50 -1.67 2.92 -2.24 -1.26 -0.46 114.28 117.52 1pfh n THR 9 Ca 0.12 -0.65 -0.51 0.00 -2.27 0.00 0.00 64.05 60.74 1pfh n THR 9 Cb 0.44 -1.22 -0.06 0.00 -2.10 0.00 0.00 70.33 67.39 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 -3.11 0.29 -0.30 6.98 0.00 -1.26 -4.73 120.51 118.39 1pfh n ALA 10 Ca -0.41 0.39 0.09 0.00 0.00 0.00 0.00 53.44 53.50 1pfh n ALA 10 Cb 1.03 -2.31 0.25 0.00 0.00 0.00 0.00 19.45 18.42 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 7.11 0.57 0.25 0.00 0.11 -1.92 -2.30 132.00 135.82 1pfh h PRO 11 Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1pfh h PRO 11 Cb 1.29 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1pfh h PRO 11 CO 0.91 0.38 -0.12 -2.95 -0.21 0.00 0.00 178.00 176.00 1pfh h ASN 12 N 0.59 -0.28 0.00 -2.05 7.08 -1.91 -2.94 115.58 116.06 1pfh h ASN 12 Ca 0.49 -0.22 0.00 0.00 -3.08 0.00 0.00 56.30 53.48 1pfh h ASN 12 Cb 0.75 0.07 0.00 0.00 -2.08 0.00 0.00 38.32 37.06 1pfh h ASN 12 CO -0.40 0.21 0.00 0.61 -2.08 0.00 0.00 177.43 175.77 1pfh n GLY 13 N 0.44 0.81 3.43 9.14 0.00 -1.05 -3.94 105.19 114.02 1pfh n GLY 13 Ca -0.08 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 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 2.92 0.13 0.99 1.43 -0.45 -4.92 118.68 118.79 1pfh s LEU 14 Ca 0.00 -0.24 -0.27 0.00 -1.03 0.00 0.00 54.13 52.59 1pfh s LEU 14 Cb 0.00 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 1pfh s LEU 14 CO 0.00 0.18 1.60 0.71 0.23 0.00 0.00 176.35 179.08 1pfh h THR 16 N 5.22 0.25 -0.12 5.49 1.35 -1.92 0.14 112.91 123.32 1pfh h THR 16 Ca -0.29 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.56 1pfh h THR 16 Cb 1.20 0.25 -0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1pfh h THR 16 CO 0.58 0.00 0.03 0.03 -0.25 0.00 0.00 175.52 175.91 1pfh h ARG 17 N -0.46 0.19 -0.55 4.72 2.47 -2.00 -1.50 114.38 117.25 1pfh h ARG 17 Ca 0.08 -0.04 -0.07 0.00 -1.26 0.00 0.00 59.98 58.68 1pfh h ARG 17 Cb 0.58 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.85 1pfh h ARG 17 CO -0.33 0.34 0.07 -1.35 0.56 0.00 0.00 179.97 179.26 1pfh h PRO 18 N 0.00 0.93 -0.96 0.04 0.11 -1.94 -2.80 132.00 127.38 1pfh h PRO 18 Ca 0.04 -0.26 0.17 0.00 0.11 0.00 0.00 66.00 66.06 1pfh h PRO 18 Cb 0.23 -0.10 -0.09 0.00 0.11 0.00 0.00 31.00 31.15 1pfh h PRO 18 CO -0.00 0.90 0.61 0.00 -0.21 0.00 0.00 178.00 179.30 1pfh h ALA 19 N 0.99 1.80 -0.82 -0.75 0.00 -0.63 -0.38 119.26 119.47 1pfh h ALA 19 Ca 0.17 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1pfh h ALA 19 Cb 0.44 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1pfh h ALA 19 CO 0.01 -0.10 0.52 0.00 0.00 0.00 0.00 179.25 179.69 1pfh h ALA 20 N 1.61 1.04 -0.30 0.00 0.00 -0.99 0.17 119.26 120.78 1pfh h ALA 20 Ca 0.51 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.28 1pfh h ALA 20 Cb 0.84 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1pfh h ALA 20 CO -0.27 0.47 -0.08 1.96 0.00 0.00 0.00 179.25 181.33 1pfh h GLN 21 N 1.12 0.58 -0.48 0.00 4.20 -1.23 -2.53 115.11 116.76 1pfh h GLN 21 Ca 0.30 -0.22 0.03 0.00 0.06 0.00 0.00 58.65 58.81 1pfh h GLN 21 Cb -0.09 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 1pfh h GLN 21 CO -0.06 0.77 0.27 0.35 -0.67 0.00 0.00 178.83 179.49 1pfh h PHE 22 N 0.34 0.50 -0.54 2.96 3.04 -0.76 -2.08 116.94 120.40 1pfh h PHE 22 Ca 0.07 0.02 0.09 0.00 3.98 0.00 0.00 57.97 62.13 1pfh h PHE 22 Cb 0.57 -0.16 -0.07 0.00 2.56 0.00 0.00 35.95 38.85 1pfh h PHE 22 CO 0.05 0.27 0.16 0.28 -2.02 0.00 0.00 178.31 177.05 1pfh h VAL 23 N 0.53 0.75 -0.58 1.41 2.07 -0.62 0.41 116.25 120.23 1pfh h VAL 23 Ca 0.20 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.66 1pfh h VAL 23 Cb 0.05 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 1pfh h VAL 23 CO -0.11 0.06 0.31 0.50 0.02 0.00 0.00 177.57 178.35 1pfh h LYS 24 N 0.31 0.57 -0.19 1.57 3.64 -0.94 0.18 116.57 121.71 1pfh h LYS 24 Ca 0.27 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1pfh h LYS 24 Cb 0.34 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1pfh h LYS 24 CO -0.31 0.38 0.09 1.49 -2.27 0.00 0.00 179.45 178.83 1pfh h GLU 25 N 0.58 0.27 -0.96 1.90 4.57 -1.04 -2.96 114.58 116.94 1pfh h GLU 25 Ca 0.26 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.42 1pfh h GLU 25 Cb 0.15 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.64 1pfh h GLU 25 CO -0.17 0.30 0.64 0.00 -1.18 0.00 0.00 179.01 178.60 1pfh h ALA 26 N 0.96 1.35 0.00 2.92 0.00 -0.59 -0.37 119.26 123.53 1pfh h ALA 26 Ca 0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1pfh h ALA 26 Cb 0.12 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1pfh h ALA 26 CO -0.01 0.57 -0.00 0.87 0.00 0.00 0.00 179.25 180.69 1pfh h LYS 27 N 1.26 0.00 0.00 0.00 1.57 -0.53 -2.78 116.57 116.08 1pfh h LYS 27 Ca 0.37 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1pfh h LYS 27 Cb -0.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1pfh h LYS 27 CO -0.10 0.00 -0.02 0.78 -0.57 0.00 0.00 179.45 179.54 1pfh h GLY 28 N 0.01 0.00 -5.21 3.86 0.00 -0.89 -3.45 103.07 97.39 1pfh h GLY 28 Ca -0.00 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.69 1pfh h GLY 28 CO 0.00 0.00 -0.49 -1.36 0.00 0.00 0.00 176.54 174.69 1pfh s PHE 29 N -4.03 3.55 0.15 5.60 0.08 -1.05 -5.03 117.98 117.25 1pfh s PHE 29 Ca -0.03 0.37 -0.06 0.00 0.12 0.00 0.00 56.93 57.33 1pfh s PHE 29 Cb 0.12 -1.84 -0.02 0.00 -0.57 0.00 0.00 43.02 40.71 1pfh s PHE 29 CO 0.48 0.65 1.40 1.79 -0.10 0.00 0.00 175.22 179.44 1pfh h THR 30 N 2.87 1.33 -4.23 0.64 1.35 -1.87 -3.44 112.91 109.56 1pfh h THR 30 Ca -0.49 -2.03 -0.51 0.00 -0.55 0.00 0.00 66.41 62.83 1pfh h THR 30 Cb 1.19 2.01 0.18 0.00 -1.73 0.00 0.00 68.15 69.80 1pfh h THR 30 CO 0.69 0.63 0.24 -0.94 -0.25 0.00 0.00 175.52 175.88 1pfh s SER 31 N -7.02 3.29 -0.35 5.36 1.04 -1.26 -4.91 113.70 109.85 1pfh s SER 31 Ca -0.08 2.04 -0.09 0.00 0.48 0.00 0.00 55.95 58.31 1pfh s SER 31 Cb 0.10 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.72 1pfh s SER 31 CO 0.86 -2.84 0.15 -0.70 0.98 0.00 0.00 173.24 171.69 1pfh s GLU 32 N -4.72 2.76 -0.87 4.02 2.12 -1.26 -5.00 118.70 115.75 1pfh s GLU 32 Ca 0.65 -1.10 -0.25 0.00 0.36 0.00 0.00 54.97 54.63 1pfh s GLU 32 Cb -0.21 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.58 1pfh s GLU 32 CO 0.58 -0.66 1.79 0.42 -0.54 0.00 0.00 175.26 176.85 1pfh s ILE 33 N 1.48 3.54 -0.54 -3.70 -1.09 -1.26 -4.33 121.20 115.30 1pfh s ILE 33 Ca 0.00 -0.31 -0.28 0.00 -2.23 0.00 0.00 60.65 57.84 1pfh s ILE 33 Cb -0.19 -4.26 0.03 0.00 -1.58 0.00 0.00 42.46 36.46 1pfh s ILE 33 CO 0.05 -1.19 1.13 -0.89 -1.23 0.00 0.00 174.94 172.80 1pfh s THR 34 N 8.63 4.15 -0.44 2.92 2.01 -0.21 -0.94 115.64 131.76 1pfh s THR 34 Ca 0.63 0.90 -0.08 0.00 0.31 0.00 0.00 61.69 63.45 1pfh s THR 34 Cb -0.06 -4.65 0.10 0.00 0.01 0.00 0.00 72.50 67.90 1pfh s THR 34 CO 0.02 -1.19 0.29 -0.69 -0.69 0.00 0.00 174.62 172.36 1pfh s VAL 35 N 4.61 4.04 -0.29 3.82 1.01 -0.88 -0.44 120.40 132.27 1pfh s VAL 35 Ca 0.42 -1.69 -0.14 0.00 0.00 0.00 0.00 61.98 60.57 1pfh s VAL 35 Cb -0.08 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1pfh s VAL 35 CO 0.26 -0.66 0.34 -0.89 0.00 0.00 0.00 175.10 174.16 1pfh s THR 36 N 1.35 5.19 -0.17 3.92 2.01 -0.70 -0.98 115.64 126.26 1pfh s THR 36 Ca 0.05 0.36 -0.01 0.00 0.31 0.00 0.00 61.69 62.40 1pfh s THR 36 Cb -0.24 -3.71 0.04 0.00 0.01 0.00 0.00 72.50 68.60 1pfh s THR 36 CO -0.00 0.10 -0.03 -0.55 -0.69 0.00 0.00 174.62 173.45 1pfh s SER 37 N 1.69 2.79 -0.81 3.53 0.15 -0.03 -0.89 113.70 120.13 1pfh s SER 37 Ca 0.13 -0.67 -0.00 0.00 0.70 0.00 0.00 55.95 56.10 1pfh s SER 37 Cb -0.16 -0.82 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 1pfh s SER 37 CO 0.11 -0.21 0.62 -0.46 1.20 0.00 0.00 173.24 174.49 1pfh n ASN 38 N 4.92 -5.28 0.00 5.45 0.23 -1.26 -2.42 115.26 116.90 1pfh n ASN 38 Ca -0.11 -0.83 0.00 0.00 -0.53 0.00 0.00 54.58 53.11 1pfh n ASN 38 Cb 0.48 -2.20 0.00 0.00 -2.08 0.00 0.00 39.78 35.98 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 -1.65 1.33 3.59 4.83 0.00 -1.26 -4.93 105.19 107.11 1pfh n GLY 39 Ca -0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 3.45 -0.54 1.61 1.02 -1.02 -4.97 119.74 119.29 1pfh s LYS 40 Ca 0.00 0.87 -0.17 0.00 0.02 0.00 0.00 55.97 56.69 1pfh s LYS 40 Cb 0.00 -4.08 0.12 0.00 -0.52 0.00 0.00 37.83 33.35 1pfh s LYS 40 CO 0.00 -1.72 0.53 -1.12 -0.92 0.00 0.00 175.35 172.11 1pfh s SER 41 N 4.43 6.19 -0.30 2.83 0.01 -1.26 -0.85 113.70 124.75 1pfh s SER 41 Ca 0.62 -1.66 -0.08 0.00 1.31 0.00 0.00 55.95 56.13 1pfh s SER 41 Cb -0.14 -2.23 -0.00 0.00 0.21 0.00 0.00 66.02 63.87 1pfh s SER 41 CO 0.31 -0.89 0.12 0.00 0.41 0.00 0.00 173.24 173.20 1pfh s ALA 42 N 1.82 3.19 -0.05 1.44 0.00 -0.15 -4.87 121.76 123.14 1pfh s ALA 42 Ca 0.05 -1.41 -0.30 0.00 0.00 0.00 0.00 51.96 50.30 1pfh s ALA 42 Cb -0.28 -2.29 -0.06 0.00 0.00 0.00 0.00 23.12 20.49 1pfh s ALA 42 CO 0.04 -0.91 1.79 0.45 0.00 0.00 0.00 175.76 177.13 1pfh s SER 43 N 1.57 6.51 0.53 0.00 0.15 -1.26 -2.06 113.70 119.12 1pfh s SER 43 Ca 0.04 2.31 0.30 0.00 0.70 0.00 0.00 55.95 59.30 1pfh s SER 43 Cb -0.17 -2.53 1.42 0.00 -1.71 0.00 0.00 66.02 63.03 1pfh s SER 43 CO 0.05 -1.05 2.03 0.00 1.20 0.00 0.00 173.24 175.47 1pfh h ALA 44 N 10.28 1.14 0.00 5.45 0.00 -1.43 -2.95 119.26 131.75 1pfh h ALA 44 Ca -0.42 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1pfh h ALA 44 Cb 1.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1pfh h ALA 44 CO 0.95 0.13 -0.22 -0.22 0.00 0.00 0.00 179.25 179.90 1pfh h LYS 45 N 0.00 0.00 -5.05 0.00 3.64 -1.86 -3.39 116.57 109.91 1pfh h LYS 45 Ca -0.00 0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.75 1pfh h LYS 45 Cb 0.43 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.07 1pfh h LYS 45 CO 0.01 0.22 -0.56 0.45 -2.27 0.00 0.00 179.45 177.30 1pfh s SER 46 N -6.19 5.63 0.13 4.20 0.15 -1.12 -4.79 113.70 111.70 1pfh s SER 46 Ca 0.00 -0.03 -0.28 0.00 0.70 0.00 0.00 55.95 56.34 1pfh s SER 46 Cb 0.11 -2.01 -0.08 0.00 -1.71 0.00 0.00 66.02 62.33 1pfh s SER 46 CO 0.63 0.03 1.47 0.25 1.20 0.00 0.00 173.24 176.83 1pfh h LEU 47 N 7.75 -1.76 -0.08 3.45 5.85 -1.82 -1.14 115.31 127.56 1pfh h LEU 47 Ca -0.37 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1pfh h LEU 47 Cb 1.18 0.75 0.00 0.00 0.37 0.00 0.00 40.66 42.96 1pfh h LEU 47 CO 0.62 -0.28 -0.10 0.49 -0.34 0.00 0.00 178.44 178.83 1pfh n PHE 48 N -4.99 0.00 0.10 1.25 3.72 -1.26 -3.61 117.46 112.66 1pfh n PHE 48 Ca -0.01 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.32 1pfh n PHE 48 Cb 0.26 -0.30 -0.04 0.00 -0.94 0.00 0.00 39.48 38.46 1pfh n PHE 48 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1pfh h LYS 49 N 0.20 -0.33 -0.99 -1.08 1.57 -1.41 -2.94 116.57 111.59 1pfh h LYS 49 Ca 0.00 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.94 1pfh h LYS 49 Cb 0.39 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.69 1pfh h LYS 49 CO 0.00 -0.10 0.62 1.25 -0.57 0.00 0.00 179.45 180.65 1pfh h LEU 50 N -1.04 0.87 0.00 2.94 5.85 -1.60 -1.42 115.31 120.90 1pfh h LEU 50 Ca -0.03 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1pfh h LEU 50 Cb 0.38 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1pfh h LEU 50 CO 0.06 0.44 0.00 0.00 -0.34 0.00 0.00 178.44 178.60 1pfh n GLN 51 N -4.63 0.26 -3.07 1.25 6.02 -1.22 -2.35 117.38 113.65 1pfh n GLN 51 Ca 0.19 0.09 -0.21 0.00 -0.01 0.00 0.00 57.00 57.07 1pfh n GLN 51 Cb 0.40 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.13 1pfh n GLN 51 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1pfh n THR 52 N -1.14 0.99 -0.06 5.09 5.66 -0.54 -4.83 114.28 119.44 1pfh n THR 52 Ca 0.07 -4.86 -0.14 0.00 -3.05 0.00 0.00 64.05 56.07 1pfh n THR 52 Cb 0.06 -0.61 -0.05 0.00 -1.55 0.00 0.00 70.33 68.19 1pfh n THR 52 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1pfh n LEU 53 N 0.08 0.99 0.00 1.09 7.94 -0.99 -4.99 117.00 121.12 1pfh n LEU 53 Ca 0.27 0.17 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 1pfh n LEU 53 Cb 0.58 -0.41 0.00 0.00 0.53 0.00 0.00 43.42 44.12 1pfh n LEU 53 CO 0.26 0.22 0.00 0.61 -1.11 0.00 0.00 177.39 177.37 1pfh n GLY 54 N 2.18 0.91 2.88 -3.96 0.00 -1.26 -5.02 105.19 100.92 1pfh n GLY 54 Ca -0.25 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 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 3.84 0.05 0.99 1.43 -1.26 -4.90 118.68 118.83 1pfh s LEU 55 Ca 0.00 -2.88 -0.27 0.00 -1.03 0.00 0.00 54.13 49.96 1pfh s LEU 55 Cb 0.00 -1.46 0.08 0.00 0.03 0.00 0.00 46.19 44.84 1pfh s LEU 55 CO 0.00 -0.25 0.73 0.28 0.23 0.00 0.00 176.35 177.35 1pfh s THR 56 N -0.07 0.00 0.04 5.49 -1.32 -1.25 -1.34 115.64 117.18 1pfh s THR 56 Ca 0.17 0.00 -0.38 0.00 -1.21 0.00 0.00 61.69 60.27 1pfh s THR 56 Cb -0.25 -1.00 -0.19 0.00 -1.51 0.00 0.00 72.50 69.54 1pfh s THR 56 CO -0.00 0.00 0.96 1.67 -2.21 0.00 0.00 174.62 175.04 1pfh n GLN 57 N -0.07 0.01 0.00 7.08 7.27 -0.89 -2.06 117.38 128.72 1pfh n GLN 57 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.93 1pfh n GLN 57 Cb 0.62 -1.40 0.00 0.00 2.41 0.00 0.00 30.24 31.87 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 1.61 3.20 3.59 1.69 0.00 0.40 -4.98 105.19 110.70 1pfh n GLY 58 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.89 3.05 -0.89 2.61 -4.23 -0.88 -4.70 115.64 108.71 1pfh s THR 59 Ca 0.00 0.05 -0.25 0.00 -1.18 0.00 0.00 61.69 60.31 1pfh s THR 59 Cb 0.00 -3.08 0.04 0.00 1.34 0.00 0.00 72.50 70.79 1pfh s THR 59 CO 0.00 -0.06 1.42 -0.69 -0.54 0.00 0.00 174.62 174.75 1pfh s VAL 60 N 8.93 3.81 -0.67 2.29 1.01 -1.26 -1.56 120.40 132.94 1pfh s VAL 60 Ca 0.98 -0.26 -0.20 0.00 0.00 0.00 0.00 61.98 62.50 1pfh s VAL 60 Cb -0.29 -4.93 0.10 0.00 0.00 0.00 0.00 36.38 31.26 1pfh s VAL 60 CO 0.33 -1.84 0.85 0.68 0.00 0.00 0.00 175.10 175.12 1pfh s VAL 61 N 5.60 4.70 -1.00 2.92 -7.23 -0.92 -4.06 120.40 120.41 1pfh s VAL 61 Ca 0.43 -0.97 -0.23 0.00 -1.81 0.00 0.00 61.98 59.40 1pfh s VAL 61 Cb -0.04 -4.59 -0.01 0.00 0.56 0.00 0.00 36.38 32.30 1pfh s VAL 61 CO 0.01 -1.28 1.78 -0.89 -0.31 0.00 0.00 175.10 174.41 1pfh s THR 62 N 2.97 3.66 -0.51 5.32 2.01 -0.06 -1.93 115.64 127.08 1pfh s THR 62 Ca 0.18 -0.67 -0.27 0.00 0.31 0.00 0.00 61.69 61.23 1pfh s THR 62 Cb -0.18 -4.49 0.03 0.00 0.01 0.00 0.00 72.50 67.87 1pfh s THR 62 CO 0.04 -1.34 1.07 -0.63 -0.69 0.00 0.00 174.62 173.08 1pfh s ILE 63 N 8.20 4.24 -0.05 1.82 1.01 -0.32 -1.73 121.20 134.39 1pfh s ILE 63 Ca 0.61 0.87 0.07 0.00 0.00 0.00 0.00 60.65 62.20 1pfh s ILE 63 Cb -0.03 -4.59 -0.01 0.00 0.01 0.00 0.00 42.46 37.84 1pfh s ILE 63 CO -0.01 -1.08 -0.25 -0.44 0.00 0.00 0.00 174.94 173.15 1pfh s SER 64 N 2.61 3.06 -0.08 3.58 0.01 0.41 -0.85 113.70 122.45 1pfh s SER 64 Ca 0.41 -0.50 -0.04 0.00 1.31 0.00 0.00 55.95 57.13 1pfh s SER 64 Cb -0.09 -0.69 0.04 0.00 0.21 0.00 0.00 66.02 65.49 1pfh s SER 64 CO 0.27 0.27 0.19 0.00 0.41 0.00 0.00 173.24 174.37 1pfh s ALA 65 N -0.30 -0.40 -0.17 1.44 0.00 -0.22 -1.04 121.76 121.07 1pfh s ALA 65 Ca 0.01 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.77 1pfh s ALA 65 Cb -0.13 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.51 1pfh s ALA 65 CO 0.02 -0.17 -0.15 -2.00 0.00 0.00 0.00 175.76 173.47 1pfh s GLU 66 N 1.12 2.42 0.00 0.00 2.12 -1.26 -0.25 118.70 122.85 1pfh s GLU 66 Ca -0.08 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 54.54 1pfh s GLU 66 Cb -0.10 -2.31 0.00 0.00 0.26 0.00 0.00 34.13 31.98 1pfh s GLU 66 CO -0.07 -0.28 0.00 0.41 -0.54 0.00 0.00 175.26 174.79 1pfh n GLY 67 N 4.71 -1.55 0.28 -1.50 0.00 -1.26 -4.42 105.19 101.44 1pfh n GLY 67 Ca -0.17 -1.07 0.07 0.00 0.00 0.00 0.00 46.02 44.85 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 0.20 -0.54 1.61 4.39 -1.99 -1.88 114.58 116.37 1pfh h GLU 68 Ca 0.00 -0.01 -0.36 0.00 0.34 0.00 0.00 59.36 59.33 1pfh h GLU 68 Cb 0.00 -0.05 -0.23 0.00 -0.10 0.00 0.00 28.75 28.37 1pfh h GLU 68 CO 0.00 0.13 -0.24 -0.40 -1.16 0.00 0.00 179.01 177.34 1pfh n ASP 69 N -5.23 3.94 0.00 1.42 5.68 -1.26 -4.95 116.55 116.16 1pfh n ASP 69 Ca 0.16 -3.79 0.00 0.00 -0.50 0.00 0.00 54.79 50.66 1pfh n ASP 69 Cb 0.52 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 1pfh n ASP 69 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1pfh n GLU 70 N -0.96 0.00 -0.28 0.11 0.28 -0.71 -0.86 120.64 118.22 1pfh n GLU 70 Ca 0.40 0.71 0.06 0.00 -0.16 0.00 0.00 57.16 58.16 1pfh n GLU 70 Cb 0.93 -1.36 0.20 0.00 1.43 0.00 0.00 31.44 32.64 1pfh n GLU 70 CO 0.00 0.00 0.00 -0.56 -0.16 0.00 0.00 177.13 176.41 1pfh h GLN 71 N 0.00 0.54 -0.35 3.44 -0.00 -1.87 -2.62 115.11 114.26 1pfh h GLN 71 Ca 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 1pfh h GLN 71 Cb 0.00 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.48 27.34 1pfh h GLN 71 CO 0.00 0.36 0.15 0.87 -0.00 0.00 0.00 178.83 180.21 1pfh h LYS 72 N 0.56 0.51 0.07 0.06 1.57 -1.84 0.78 116.57 118.27 1pfh h LYS 72 Ca 0.43 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 59.14 1pfh h LYS 72 Cb 0.61 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1pfh h LYS 72 CO -0.37 0.48 -0.15 0.00 -0.57 0.00 0.00 179.45 178.85 1pfh h ALA 73 N 1.00 -0.23 -0.26 3.86 0.00 -0.78 -2.36 119.26 120.49 1pfh h ALA 73 Ca 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1pfh h ALA 73 Cb 0.15 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1pfh h ALA 73 CO -0.01 -0.66 0.06 0.28 0.00 0.00 0.00 179.25 178.91 1pfh h VAL 74 N -0.29 1.22 -0.07 0.00 2.07 -1.05 -2.52 116.25 115.61 1pfh h VAL 74 Ca 0.03 -0.72 0.03 0.00 0.82 0.00 0.00 66.70 66.86 1pfh h VAL 74 Cb 0.31 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1pfh h VAL 74 CO -0.10 0.23 -0.16 -0.33 0.02 0.00 0.00 177.57 177.23 1pfh h GLU 75 N 0.24 -0.22 -0.15 1.57 5.08 -0.85 -1.04 114.58 119.21 1pfh h GLU 75 Ca 0.08 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1pfh h GLU 75 Cb 0.30 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1pfh h GLU 75 CO 0.00 -0.15 0.09 1.25 -1.00 0.00 0.00 179.01 179.21 1pfh h HIS 76 N -0.23 0.20 -0.64 4.33 2.76 -1.33 -1.57 115.15 118.67 1pfh h HIS 76 Ca 0.08 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.21 1pfh h HIS 76 Cb 0.34 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.21 1pfh h HIS 76 CO -0.25 0.16 0.23 -0.07 -1.30 0.00 0.00 177.93 176.71 1pfh h LEU 77 N 0.18 0.87 -0.33 0.26 3.38 -1.27 -1.50 115.31 116.89 1pfh h LEU 77 Ca 0.05 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1pfh h LEU 77 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1pfh h LEU 77 CO -0.01 0.79 0.07 0.58 0.09 0.00 0.00 178.44 179.96 1pfh h VAL 78 N 0.92 1.23 0.09 1.22 2.07 -0.93 -0.18 116.25 120.67 1pfh h VAL 78 Ca 0.21 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.98 1pfh h VAL 78 Cb 0.21 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1pfh h VAL 78 CO -0.02 0.26 -0.26 0.11 0.02 0.00 0.00 177.57 177.69 1pfh h LYS 79 N 0.38 -0.43 -0.30 1.57 1.57 -0.99 -1.43 116.57 116.94 1pfh h LYS 79 Ca 0.10 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.98 1pfh h LYS 79 Cb 0.32 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.65 1pfh h LYS 79 CO 0.00 -0.29 -0.33 1.25 -0.57 0.00 0.00 179.45 179.51 1pfh h LEU 80 N -0.45 -1.08 -0.95 2.94 5.85 -1.22 0.16 115.31 120.55 1pfh h LEU 80 Ca 0.04 0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.98 1pfh h LEU 80 Cb 0.49 0.49 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 1pfh h LEU 80 CO -0.16 -0.34 0.62 -0.03 -0.34 0.00 0.00 178.44 178.18 1pfh h MET 81 N -0.31 1.13 -0.15 1.25 4.05 -0.82 -0.86 114.93 119.22 1pfh h MET 81 Ca 0.14 -0.07 -0.12 0.00 -0.28 0.00 0.00 59.70 59.38 1pfh h MET 81 Cb 0.54 -0.26 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 1pfh h MET 81 CO -0.47 0.75 -0.36 0.00 0.23 0.00 0.00 176.91 177.06 1pfh h ALA 82 N 1.41 0.25 0.00 0.39 0.00 -0.20 -3.20 119.26 117.92 1pfh h ALA 82 Ca 0.39 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pfh h ALA 82 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1pfh h ALA 82 CO -0.14 0.32 0.00 0.39 0.00 0.00 0.00 179.25 179.82 1pfh n GLU 83 N -4.32 0.36 -2.95 0.00 1.02 0.47 -4.55 120.64 110.66 1pfh n GLU 83 Ca -0.07 0.08 -0.43 0.00 -0.02 0.00 0.00 57.16 56.72 1pfh n GLU 83 Cb 0.51 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.39 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 -2.33 4.64 0.00 -4.62 1.43 -0.37 -5.03 118.68 112.41 1pfh s LEU 84 Ca 0.19 -0.97 0.32 0.00 -1.03 0.00 0.00 54.13 52.64 1pfh s LEU 84 Cb 0.11 -2.47 1.82 0.00 0.03 0.00 0.00 46.19 45.69 1pfh s LEU 84 CO 0.22 -1.25 2.18 -0.62 0.23 0.00 0.00 176.35 177.11