#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 3.43 -0.19 1.12 5.36 0.05 -4.98 117.98 122.76 1pfh s PHE 2 Ca 0.00 0.34 0.01 0.00 -0.96 0.00 0.00 56.93 56.32 1pfh s PHE 2 Cb 0.00 -2.11 0.04 0.00 -0.34 0.00 0.00 43.02 40.61 1pfh s PHE 2 CO 0.00 0.36 -0.10 -1.14 -1.46 0.00 0.00 175.22 172.88 1pfh s GLN 3 N 0.09 2.01 -0.23 10.12 -0.44 -1.26 -1.45 119.66 128.51 1pfh s GLN 3 Ca 0.09 -0.77 0.00 0.00 -2.50 0.00 0.00 55.36 52.18 1pfh s GLN 3 Cb -0.11 -2.33 0.06 0.00 -1.64 0.00 0.00 33.01 28.98 1pfh s GLN 3 CO -0.01 -0.40 -0.04 -1.14 0.50 0.00 0.00 175.29 174.20 1pfh s GLN 4 N 1.43 1.48 -0.40 1.67 0.74 -0.45 -5.01 119.66 119.12 1pfh s GLN 4 Ca -0.00 -0.89 -0.20 0.00 0.05 0.00 0.00 55.36 54.31 1pfh s GLN 4 Cb -0.16 -2.50 0.01 0.00 1.10 0.00 0.00 33.01 31.46 1pfh s GLN 4 CO -0.08 -0.60 0.63 -2.00 -0.55 0.00 0.00 175.29 172.68 1pfh s GLU 5 N 1.47 3.48 0.26 1.67 2.12 -1.26 -0.91 118.70 125.53 1pfh s GLU 5 Ca -0.05 -0.17 0.05 0.00 0.36 0.00 0.00 54.97 55.16 1pfh s GLU 5 Cb -0.18 -3.88 -0.06 0.00 0.26 0.00 0.00 34.13 30.27 1pfh s GLU 5 CO -0.06 -0.86 -0.03 0.14 -0.54 0.00 0.00 175.26 173.91 1pfh s VAL 6 N 2.73 1.34 0.09 3.70 -7.23 -0.96 -4.99 120.40 115.08 1pfh s VAL 6 Ca 0.23 -2.07 0.10 0.00 -1.81 0.00 0.00 61.98 58.42 1pfh s VAL 6 Cb -0.14 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 1pfh s VAL 6 CO 0.17 -0.30 -0.26 0.42 -0.31 0.00 0.00 175.10 174.82 1pfh s THR 7 N -3.22 2.13 -0.74 5.32 -4.23 -1.26 -0.47 115.64 113.17 1pfh s THR 7 Ca 0.29 -1.55 -0.22 0.00 -1.18 0.00 0.00 61.69 59.03 1pfh s THR 7 Cb 0.05 -1.86 0.08 0.00 1.34 0.00 0.00 72.50 72.12 1pfh s THR 7 CO 0.10 0.20 1.03 -0.63 -0.54 0.00 0.00 174.62 174.79 1pfh s ILE 8 N -0.94 4.39 -0.48 2.99 1.01 -0.91 -4.88 121.20 122.38 1pfh s ILE 8 Ca 0.12 -0.66 0.24 0.00 0.00 0.00 0.00 60.65 60.35 1pfh s ILE 8 Cb -0.10 -4.73 0.15 0.00 0.01 0.00 0.00 42.46 37.79 1pfh s ILE 8 CO 0.04 -1.50 1.39 0.71 0.00 0.00 0.00 174.94 175.58 1pfh h THR 9 N 5.98 0.00 -3.08 2.92 1.35 -1.91 0.26 112.91 118.43 1pfh h THR 9 Ca -0.16 -0.78 -0.58 0.00 -0.55 0.00 0.00 66.41 64.34 1pfh h THR 9 Cb 1.06 1.51 0.12 0.00 -1.73 0.00 0.00 68.15 69.11 1pfh h THR 9 CO 1.18 0.00 0.27 0.00 -0.25 0.00 0.00 175.52 176.72 1pfh n ALA 10 N -2.00 0.50 -0.25 6.62 0.00 -1.26 -4.89 120.51 119.23 1pfh n ALA 10 Ca 0.03 0.29 0.05 0.00 0.00 0.00 0.00 53.44 53.81 1pfh n ALA 10 Cb 0.50 -2.13 0.17 0.00 0.00 0.00 0.00 19.45 17.98 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 1.89 0.15 0.00 0.00 0.11 -1.93 -3.34 132.00 128.89 1pfh h PRO 11 Ca -0.44 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 1pfh h PRO 11 Cb 1.32 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1pfh h PRO 11 CO 0.59 0.10 -1.38 0.27 -0.21 0.00 0.00 178.00 177.37 1pfh n ASN 12 N -5.27 3.50 0.00 -2.05 0.23 -1.26 -4.58 115.26 105.82 1pfh n ASN 12 Ca 0.14 -0.03 0.00 0.00 -0.53 0.00 0.00 54.58 54.15 1pfh n ASN 12 Cb 0.47 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 38.12 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 3.14 0.38 3.60 4.83 0.00 -1.25 -3.65 105.19 112.24 1pfh n GLY 13 Ca -0.12 -1.81 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 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 3.74 0.02 0.99 1.02 0.46 -4.89 118.68 120.02 1pfh s LEU 14 Ca 0.00 0.03 -0.04 0.00 0.02 0.00 0.00 54.13 54.14 1pfh s LEU 14 Cb 0.00 -1.95 -0.01 0.00 0.02 0.00 0.00 46.19 44.25 1pfh s LEU 14 CO 0.00 0.14 0.72 0.35 0.02 0.00 0.00 176.35 177.57 1pfh n THR 16 N 3.79 -0.09 0.23 5.49 -2.24 -1.26 -0.58 114.28 119.62 1pfh n THR 16 Ca -0.16 1.09 -0.15 0.00 -2.27 0.00 0.00 64.05 62.55 1pfh n THR 16 Cb 0.52 -1.42 -0.08 0.00 -2.10 0.00 0.00 70.33 67.25 1pfh n THR 16 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1pfh h ARG 17 N 0.00 -0.51 -0.06 -0.78 3.08 -1.97 -0.66 114.38 113.47 1pfh h ARG 17 Ca 0.02 0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 1pfh h ARG 17 Cb 0.05 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1pfh h ARG 17 CO -0.12 -0.32 -0.33 -1.35 -1.07 0.00 0.00 179.97 176.78 1pfh h PRO 18 N -0.55 0.12 -0.92 0.04 0.11 -1.88 -2.59 132.00 126.32 1pfh h PRO 18 Ca -0.05 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.05 1pfh h PRO 18 Cb 0.42 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.47 1pfh h PRO 18 CO 0.09 0.44 0.60 0.00 -0.21 0.00 0.00 178.00 178.92 1pfh h ALA 19 N 1.56 1.21 -0.91 -0.75 0.00 -0.45 -1.20 119.26 118.72 1pfh h ALA 19 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pfh h ALA 19 Cb 0.64 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1pfh h ALA 19 CO 0.05 0.46 0.58 0.00 0.00 0.00 0.00 179.25 180.34 1pfh h ALA 20 N 1.38 1.30 -0.47 0.00 0.00 -0.75 -1.17 119.26 119.55 1pfh h ALA 20 Ca 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1pfh h ALA 20 Cb 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1pfh h ALA 20 CO -0.12 0.62 0.24 1.96 0.00 0.00 0.00 179.25 181.95 1pfh h GLN 21 N 1.25 0.66 -0.66 0.00 4.20 -1.13 -1.25 115.11 118.18 1pfh h GLN 21 Ca 0.33 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.96 1pfh h GLN 21 Cb -0.10 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.52 1pfh h GLN 21 CO -0.07 0.55 0.43 0.35 -0.67 0.00 0.00 178.83 179.42 1pfh h PHE 22 N 0.61 0.82 -0.08 2.96 3.04 -0.90 -2.44 116.94 120.95 1pfh h PHE 22 Ca 0.16 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.16 1pfh h PHE 22 Cb 0.09 -0.28 -0.04 0.00 2.56 0.00 0.00 35.95 38.29 1pfh h PHE 22 CO -0.01 0.51 -0.13 0.28 -2.02 0.00 0.00 178.31 176.93 1pfh h VAL 23 N 0.88 0.65 -0.60 1.41 2.07 -1.03 -0.11 116.25 119.53 1pfh h VAL 23 Ca 0.25 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.88 1pfh h VAL 23 Cb -0.08 0.65 -0.12 0.00 -1.52 0.00 0.00 31.29 30.22 1pfh h VAL 23 CO -0.06 0.00 -0.23 0.50 0.02 0.00 0.00 177.57 177.80 1pfh h LYS 24 N -0.18 -0.08 0.14 1.57 3.64 -0.91 0.79 116.57 121.54 1pfh h LYS 24 Ca 0.07 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1pfh h LYS 24 Cb 0.28 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1pfh h LYS 24 CO -0.19 -0.05 -0.07 1.49 -2.27 0.00 0.00 179.45 178.36 1pfh h GLU 25 N -0.08 -0.18 -0.63 1.90 4.57 -1.06 -3.02 114.58 116.09 1pfh h GLU 25 Ca 0.27 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.56 1pfh h GLU 25 Cb 0.51 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.10 1pfh h GLU 25 CO -0.65 0.09 0.42 0.00 -1.18 0.00 0.00 179.01 177.69 1pfh h ALA 26 N 0.38 1.99 -0.28 2.92 0.00 -0.77 0.39 119.26 123.89 1pfh h ALA 26 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pfh h ALA 26 Cb 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1pfh h ALA 26 CO 0.03 -0.13 0.16 0.87 0.00 0.00 0.00 179.25 180.18 1pfh h LYS 27 N 0.45 0.37 -0.98 0.00 1.57 -0.71 -3.10 116.57 114.17 1pfh h LYS 27 Ca 0.29 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1pfh h LYS 27 Cb 0.54 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1pfh h LYS 27 CO -0.08 0.27 0.05 0.41 -0.57 0.00 0.00 179.45 179.52 1pfh n GLY 28 N -1.42 2.05 3.17 3.86 0.00 0.13 -4.78 105.19 108.20 1pfh n GLY 28 Ca 0.01 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.68 1.33 0.11 1.61 0.08 -1.17 -5.08 117.98 114.18 1pfh s PHE 29 Ca 0.06 -0.37 -0.14 0.00 0.12 0.00 0.00 56.93 56.60 1pfh s PHE 29 Cb 0.05 -0.78 -0.07 0.00 -0.57 0.00 0.00 43.02 41.65 1pfh s PHE 29 CO 0.01 0.05 1.45 1.79 -0.10 0.00 0.00 175.22 178.42 1pfh h THR 30 N 4.44 1.29 -4.24 0.64 1.35 -1.88 -3.45 112.91 111.07 1pfh h THR 30 Ca -0.39 -1.43 -0.52 0.00 -0.55 0.00 0.00 66.41 63.52 1pfh h THR 30 Cb 1.18 1.49 0.14 0.00 -1.73 0.00 0.00 68.15 69.22 1pfh h THR 30 CO 0.43 0.46 0.34 -0.94 -0.25 0.00 0.00 175.52 175.56 1pfh s SER 31 N -6.57 4.36 -0.34 5.36 1.04 -1.26 -4.99 113.70 111.30 1pfh s SER 31 Ca -0.12 2.06 -0.11 0.00 0.48 0.00 0.00 55.95 58.26 1pfh s SER 31 Cb 0.09 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1pfh s SER 31 CO 0.84 -2.14 0.19 -0.70 0.98 0.00 0.00 173.24 172.41 1pfh s GLU 32 N -4.38 3.20 -0.58 4.02 2.12 -1.26 -5.00 118.70 116.83 1pfh s GLU 32 Ca 0.67 -0.83 -0.27 0.00 0.36 0.00 0.00 54.97 54.90 1pfh s GLU 32 Cb -0.22 -3.67 0.03 0.00 0.26 0.00 0.00 34.13 30.53 1pfh s GLU 32 CO 0.49 -0.52 1.13 0.42 -0.54 0.00 0.00 175.26 176.24 1pfh s ILE 33 N 1.62 4.11 -0.26 -3.70 -1.09 -1.26 -4.26 121.20 116.36 1pfh s ILE 33 Ca 0.04 0.70 -0.10 0.00 -2.23 0.00 0.00 60.65 59.07 1pfh s ILE 33 Cb -0.18 -4.68 -0.04 0.00 -1.58 0.00 0.00 42.46 35.97 1pfh s ILE 33 CO 0.07 -1.30 0.15 0.42 -1.23 0.00 0.00 174.94 173.05 1pfh s THR 34 N 4.71 5.03 -0.59 2.92 -4.23 -0.05 -0.46 115.64 122.98 1pfh s THR 34 Ca 0.39 0.07 -0.14 0.00 -1.18 0.00 0.00 61.69 60.83 1pfh s THR 34 Cb -0.09 -3.37 0.15 0.00 1.34 0.00 0.00 72.50 70.52 1pfh s THR 34 CO 0.23 0.30 0.52 -0.69 -0.54 0.00 0.00 174.62 174.44 1pfh s VAL 35 N 1.55 5.08 -0.63 2.29 1.01 0.13 -1.54 120.40 128.27 1pfh s VAL 35 Ca 0.07 -1.77 -0.22 0.00 0.00 0.00 0.00 61.98 60.05 1pfh s VAL 35 Cb -0.15 -4.24 0.07 0.00 0.00 0.00 0.00 36.38 32.05 1pfh s VAL 35 CO 0.08 -0.88 0.93 -0.89 0.00 0.00 0.00 175.10 174.34 1pfh s THR 36 N 1.24 4.38 -0.54 3.92 2.01 -0.31 -1.28 115.64 125.06 1pfh s THR 36 Ca 0.07 -0.30 -0.16 0.00 0.31 0.00 0.00 61.69 61.61 1pfh s THR 36 Cb -0.25 -4.64 0.13 0.00 0.01 0.00 0.00 72.50 67.75 1pfh s THR 36 CO -0.00 -1.36 0.50 -0.55 -0.69 0.00 0.00 174.62 172.51 1pfh s SER 37 N 3.50 6.17 -1.08 3.53 0.15 -0.19 -1.67 113.70 124.11 1pfh s SER 37 Ca 0.23 -1.81 -0.20 0.00 0.70 0.00 0.00 55.95 54.86 1pfh s SER 37 Cb -0.17 -2.20 0.01 0.00 -1.71 0.00 0.00 66.02 61.96 1pfh s SER 37 CO 0.11 -0.85 0.72 -0.46 1.20 0.00 0.00 173.24 173.96 1pfh n ASN 38 N 5.22 -5.01 0.00 5.45 0.23 -1.25 -1.03 115.26 118.86 1pfh n ASN 38 Ca -0.13 -1.04 0.00 0.00 -0.53 0.00 0.00 54.58 52.87 1pfh n ASN 38 Cb 0.40 -2.60 0.00 0.00 -2.08 0.00 0.00 39.78 35.50 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 -1.82 2.57 3.48 4.83 0.00 -1.26 -4.95 105.19 108.04 1pfh n GLY 39 Ca -0.14 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 3.47 -0.17 1.61 1.02 -0.20 -4.98 119.74 120.49 1pfh s LYS 40 Ca 0.00 -1.31 -0.27 0.00 0.02 0.00 0.00 55.97 54.41 1pfh s LYS 40 Cb 0.00 -4.83 -0.01 0.00 -0.52 0.00 0.00 37.83 32.47 1pfh s LYS 40 CO 0.00 -1.91 0.90 0.45 -0.92 0.00 0.00 175.35 173.87 1pfh s SER 41 N 3.98 7.04 -0.06 2.83 0.15 -1.26 -1.02 113.70 125.36 1pfh s SER 41 Ca 0.34 1.28 0.04 0.00 0.70 0.00 0.00 55.95 58.31 1pfh s SER 41 Cb -0.06 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1pfh s SER 41 CO -0.04 -0.46 -0.16 0.00 1.20 0.00 0.00 173.24 173.78 1pfh s ALA 42 N 2.31 1.51 0.09 5.45 0.00 -0.41 -4.97 121.76 125.74 1pfh s ALA 42 Ca 0.41 -0.63 -0.31 0.00 0.00 0.00 0.00 51.96 51.43 1pfh s ALA 42 Cb -0.17 -0.56 -0.07 0.00 0.00 0.00 0.00 23.12 22.32 1pfh s ALA 42 CO 0.12 0.22 1.31 0.45 0.00 0.00 0.00 175.76 177.87 1pfh s SER 43 N 0.29 6.93 0.48 0.00 0.15 -1.26 -0.69 113.70 119.58 1pfh s SER 43 Ca -0.09 2.19 0.30 0.00 0.70 0.00 0.00 55.95 59.05 1pfh s SER 43 Cb -0.14 -2.58 1.12 0.00 -1.71 0.00 0.00 66.02 62.71 1pfh s SER 43 CO 0.04 -0.58 1.88 0.00 1.20 0.00 0.00 173.24 175.77 1pfh h ALA 44 N 6.86 1.00 0.00 5.45 0.00 -1.14 -2.13 119.26 129.30 1pfh h ALA 44 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1pfh h ALA 44 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1pfh h ALA 44 CO 0.85 0.00 0.00 1.17 0.00 0.00 0.00 179.25 181.27 1pfh n LYS 45 N -2.93 0.33 -3.89 0.00 4.81 -1.26 -4.20 118.16 111.03 1pfh n LYS 45 Ca 0.02 0.04 -0.35 0.00 -0.87 0.00 0.00 58.31 57.15 1pfh n LYS 45 Cb 0.34 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 33.75 1pfh n LYS 45 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1pfh s SER 46 N -2.61 4.56 0.05 3.14 0.01 -0.80 -4.87 113.70 113.19 1pfh s SER 46 Ca 0.23 -0.74 -0.18 0.00 1.31 0.00 0.00 55.95 56.57 1pfh s SER 46 Cb 0.17 -1.74 -0.08 0.00 0.21 0.00 0.00 66.02 64.57 1pfh s SER 46 CO 0.40 -0.13 1.29 0.25 0.41 0.00 0.00 173.24 175.46 1pfh h LEU 47 N 8.10 -0.79 -0.28 2.44 5.85 -1.85 -2.28 115.31 126.50 1pfh h LEU 47 Ca -0.34 0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.30 1pfh h LEU 47 Cb 1.12 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 1pfh h LEU 47 CO 0.59 -0.32 -0.76 -0.26 -0.34 0.00 0.00 178.44 177.34 1pfh h PHE 48 N -0.46 0.00 -0.50 1.25 0.04 -1.96 -3.23 116.94 112.09 1pfh h PHE 48 Ca -0.02 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 1pfh h PHE 48 Cb 0.43 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 1pfh h PHE 48 CO -0.28 0.76 0.31 0.87 -0.60 0.00 0.00 178.31 179.37 1pfh h LYS 49 N 0.00 0.67 -0.22 1.51 1.79 -1.81 0.11 116.57 118.63 1pfh h LYS 49 Ca -0.01 -0.06 -0.13 0.00 -2.18 0.00 0.00 60.65 58.27 1pfh h LYS 49 Cb 1.46 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.95 1pfh h LYS 49 CO 0.10 0.48 -0.42 1.25 -1.08 0.00 0.00 179.45 179.78 1pfh h LEU 50 N 0.67 0.56 -0.99 2.94 5.85 -1.53 -3.03 115.31 119.78 1pfh h LEU 50 Ca 0.18 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.57 1pfh h LEU 50 Cb -0.03 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1pfh h LEU 50 CO -0.04 0.91 -0.07 1.56 -0.34 0.00 0.00 178.44 180.47 1pfh h GLN 51 N 0.43 0.66 -2.02 1.25 4.20 -1.43 -3.08 115.11 115.13 1pfh h GLN 51 Ca 0.03 -0.19 -0.77 0.00 0.06 0.00 0.00 58.65 57.79 1pfh h GLN 51 Cb 0.91 -0.07 -0.27 0.00 0.30 0.00 0.00 27.48 28.35 1pfh h GLN 51 CO 0.08 0.72 1.06 -2.37 -0.67 0.00 0.00 178.83 177.66 1pfh n THR 52 N -4.21 3.76 -0.03 -0.54 5.66 0.33 -4.21 114.28 115.06 1pfh n THR 52 Ca 0.02 -4.41 -0.04 0.00 -3.05 0.00 0.00 64.05 56.57 1pfh n THR 52 Cb 0.32 -1.26 -0.03 0.00 -1.55 0.00 0.00 70.33 67.81 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 -0.51 2.35 -0.51 1.09 7.94 -1.16 -4.92 117.00 121.28 1pfh n LEU 53 Ca 0.53 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 55.41 1pfh n LEU 53 Cb 0.23 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 44.05 1pfh n LEU 53 CO 0.51 0.49 0.00 0.61 -1.11 0.00 0.00 177.39 177.89 1pfh n GLY 54 N 3.12 0.74 3.57 -3.96 0.00 -1.26 -5.02 105.19 102.37 1pfh n GLY 54 Ca -0.10 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.03 3.52 0.35 0.99 1.43 -1.26 -4.87 118.68 117.82 1pfh s LEU 55 Ca 0.00 -1.71 0.04 0.00 -1.03 0.00 0.00 54.13 51.43 1pfh s LEU 55 Cb 0.00 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 1pfh s LEU 55 CO 0.00 -1.73 0.15 0.28 0.23 0.00 0.00 176.35 175.28 1pfh s THR 56 N 6.07 0.46 -0.39 5.49 -1.32 -1.26 -0.40 115.64 124.30 1pfh s THR 56 Ca 0.54 -2.00 -0.40 0.00 -1.21 0.00 0.00 61.69 58.63 1pfh s THR 56 Cb 0.00 -2.47 -0.15 0.00 -1.51 0.00 0.00 72.50 68.38 1pfh s THR 56 CO -0.00 0.00 2.05 1.67 -2.21 0.00 0.00 174.62 176.12 1pfh n GLN 57 N -0.72 0.72 0.00 7.08 7.27 -1.24 -1.74 117.38 128.74 1pfh n GLN 57 Ca -0.01 0.22 0.00 0.00 0.07 0.00 0.00 57.00 57.28 1pfh n GLN 57 Cb 0.65 -2.05 0.00 0.00 2.41 0.00 0.00 30.24 31.25 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 6.18 3.04 3.41 1.69 0.00 0.92 -5.01 105.19 115.41 1pfh n GLY 58 Ca 0.42 -0.80 -0.53 0.00 0.00 0.00 0.00 46.02 45.11 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 0.15 -2.20 2.61 -2.24 -0.71 -4.34 114.28 107.55 1pfh n THR 59 Ca 0.00 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 1pfh n THR 59 Cb 0.00 -1.42 -0.03 0.00 -2.10 0.00 0.00 70.33 66.79 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 6.98 3.73 -0.31 2.28 1.01 -1.26 -2.14 120.40 130.70 1pfh s VAL 60 Ca 1.11 1.06 0.01 0.00 0.00 0.00 0.00 61.98 64.16 1pfh s VAL 60 Cb -0.98 -3.68 0.10 0.00 0.00 0.00 0.00 36.38 31.81 1pfh s VAL 60 CO 0.53 -0.03 0.07 0.68 0.00 0.00 0.00 175.10 176.34 1pfh s VAL 61 N 2.84 1.33 -0.99 2.92 -7.23 0.38 -3.93 120.40 115.72 1pfh s VAL 61 Ca 0.65 -1.64 -0.23 0.00 -1.81 0.00 0.00 61.98 58.95 1pfh s VAL 61 Cb -0.31 -1.96 0.03 0.00 0.56 0.00 0.00 36.38 34.70 1pfh s VAL 61 CO 0.26 -0.59 1.56 -0.89 -0.31 0.00 0.00 175.10 175.12 1pfh s THR 62 N 1.39 3.82 -0.81 5.32 2.01 -0.67 -2.27 115.64 124.43 1pfh s THR 62 Ca 0.08 -0.67 -0.26 0.00 0.31 0.00 0.00 61.69 61.15 1pfh s THR 62 Cb -0.18 -4.83 0.03 0.00 0.01 0.00 0.00 72.50 67.53 1pfh s THR 62 CO -0.18 -1.73 1.40 -0.63 -0.69 0.00 0.00 174.62 172.79 1pfh s ILE 63 N 6.07 3.74 -0.05 1.82 1.01 -0.09 -1.16 121.20 132.55 1pfh s ILE 63 Ca 0.51 0.04 0.07 0.00 0.00 0.00 0.00 60.65 61.27 1pfh s ILE 63 Cb -0.01 -4.85 -0.01 0.00 0.01 0.00 0.00 42.46 37.59 1pfh s ILE 63 CO -0.08 -1.78 -0.25 -0.44 0.00 0.00 0.00 174.94 172.39 1pfh s SER 64 N 4.58 3.08 -0.09 3.58 0.01 -0.59 -1.34 113.70 122.92 1pfh s SER 64 Ca 0.42 -0.49 -0.12 0.00 1.31 0.00 0.00 55.95 57.07 1pfh s SER 64 Cb -0.06 -0.69 0.03 0.00 0.21 0.00 0.00 66.02 65.51 1pfh s SER 64 CO 0.08 0.27 0.31 0.00 0.41 0.00 0.00 173.24 174.31 1pfh s ALA 65 N -0.31 -0.76 -0.11 1.44 0.00 -0.52 -0.87 121.76 120.63 1pfh s ALA 65 Ca 0.01 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.72 1pfh s ALA 65 Cb -0.13 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.64 1pfh s ALA 65 CO 0.02 -0.18 -0.18 -2.00 0.00 0.00 0.00 175.76 173.42 1pfh s GLU 66 N -0.22 2.51 0.00 0.00 2.12 -1.26 -0.77 118.70 121.07 1pfh s GLU 66 Ca -0.04 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.62 1pfh s GLU 66 Cb -0.03 -2.04 0.00 0.00 0.26 0.00 0.00 34.13 32.32 1pfh s GLU 66 CO 0.01 0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 1pfh n GLY 67 N 3.98 -0.99 0.26 -1.50 0.00 -1.26 -4.25 105.19 101.43 1pfh n GLY 67 Ca -0.20 -1.10 -0.15 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.58 -0.68 1.61 5.08 -1.99 -3.21 114.58 114.81 1pfh h GLU 68 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1pfh h GLU 68 Cb 0.00 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1pfh h GLU 68 CO 0.00 -0.29 0.00 -0.40 -1.00 0.00 0.00 179.01 177.32 1pfh n ASP 69 N -5.27 3.66 -0.19 1.42 5.68 -1.26 -4.75 116.55 115.85 1pfh n ASP 69 Ca -0.11 -2.46 -0.12 0.00 -0.50 0.00 0.00 54.79 51.60 1pfh n ASP 69 Cb 0.29 -0.55 -0.08 0.00 -1.14 0.00 0.00 41.12 39.64 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 2.55 -0.30 -0.10 0.11 4.11 -1.88 0.54 114.58 119.60 1pfh h GLU 70 Ca 0.00 0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.45 1pfh h GLU 70 Cb 1.26 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 1pfh h GLU 70 CO 0.25 -0.20 0.06 -0.56 0.07 0.00 0.00 179.01 178.63 1pfh h GLN 71 N -0.31 0.14 -0.27 1.06 -0.00 -1.87 -1.49 115.11 112.37 1pfh h GLN 71 Ca 0.11 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.73 1pfh h GLN 71 Cb 0.57 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 28.01 1pfh h GLN 71 CO -0.66 0.14 0.07 0.87 -0.00 0.00 0.00 178.83 179.26 1pfh h LYS 72 N 0.10 0.43 0.10 0.06 1.57 -1.65 0.69 116.57 117.87 1pfh h LYS 72 Ca 0.04 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1pfh h LYS 72 Cb 0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1pfh h LYS 72 CO -0.01 0.51 -0.14 0.00 -0.57 0.00 0.00 179.45 179.24 1pfh h ALA 73 N 0.90 -0.24 -0.23 3.86 0.00 -0.84 -1.35 119.26 121.36 1pfh h ALA 73 Ca 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1pfh h ALA 73 Cb 0.27 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1pfh h ALA 73 CO -0.00 -0.66 0.08 0.28 0.00 0.00 0.00 179.25 178.95 1pfh h VAL 74 N -0.29 1.18 0.01 0.00 2.07 -0.98 -0.43 116.25 117.81 1pfh h VAL 74 Ca 0.02 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1pfh h VAL 74 Cb 0.30 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 1pfh h VAL 74 CO -0.07 0.18 -0.51 -0.08 0.02 0.00 0.00 177.57 177.11 1pfh h GLU 75 N 0.21 -0.64 -0.33 1.57 4.81 -0.79 0.10 114.58 119.51 1pfh h GLU 75 Ca 0.07 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.41 1pfh h GLU 75 Cb 0.20 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.67 1pfh h GLU 75 CO -0.00 -0.42 -0.04 1.25 -0.73 0.00 0.00 179.01 179.06 1pfh h HIS 76 N -0.66 -0.10 -0.80 0.92 2.76 -1.12 -2.61 115.15 113.54 1pfh h HIS 76 Ca 0.02 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.18 1pfh h HIS 76 Cb 0.71 0.10 -0.04 0.00 1.55 0.00 0.00 27.41 29.74 1pfh h HIS 76 CO -0.49 -0.11 0.34 -0.07 -1.30 0.00 0.00 177.93 176.30 1pfh h LEU 77 N 0.04 1.08 -0.64 0.26 3.38 -0.60 -1.44 115.31 117.40 1pfh h LEU 77 Ca 0.16 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1pfh h LEU 77 Cb 0.24 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1pfh h LEU 77 CO -0.31 0.94 0.38 0.58 0.09 0.00 0.00 178.44 180.12 1pfh h VAL 78 N 1.15 1.05 0.38 1.22 2.07 -0.56 0.31 116.25 121.86 1pfh h VAL 78 Ca 0.27 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 1pfh h VAL 78 Cb 0.18 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1pfh h VAL 78 CO -0.03 0.13 -0.18 0.11 0.02 0.00 0.00 177.57 177.63 1pfh h LYS 79 N 0.74 -0.49 -0.44 1.57 1.57 -1.14 -1.71 116.57 116.68 1pfh h LYS 79 Ca 0.26 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.16 1pfh h LYS 79 Cb 0.06 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.40 1pfh h LYS 79 CO -0.12 -0.32 -0.08 1.25 -0.57 0.00 0.00 179.45 179.61 1pfh h LEU 80 N -0.52 -0.36 -1.14 2.94 5.85 -1.03 0.92 115.31 121.97 1pfh h LEU 80 Ca -0.05 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1pfh h LEU 80 Cb 0.39 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1pfh h LEU 80 CO 0.08 -0.13 0.21 -0.03 -0.34 0.00 0.00 178.44 178.24 1pfh h MET 81 N 0.02 0.81 0.04 1.25 4.05 -0.83 -2.01 114.93 118.26 1pfh h MET 81 Ca 0.21 -0.13 -0.24 0.00 -0.28 0.00 0.00 59.70 59.26 1pfh h MET 81 Cb 0.32 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 1pfh h MET 81 CO -0.43 0.68 -1.03 0.00 0.23 0.00 0.00 176.91 176.35 1pfh h ALA 82 N 1.43 0.29 -0.05 0.39 0.00 -0.28 -3.32 119.26 117.73 1pfh h ALA 82 Ca 0.19 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1pfh h ALA 82 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1pfh h ALA 82 CO -0.02 0.87 0.00 0.39 0.00 0.00 0.00 179.25 180.49 1pfh n GLU 83 N -3.68 1.44 -2.58 0.00 1.02 0.20 -4.93 120.64 112.12 1pfh n GLU 83 Ca -0.07 -0.65 -0.33 0.00 -0.02 0.00 0.00 57.16 56.08 1pfh n GLU 83 Cb 0.89 -1.43 -0.04 0.00 -0.02 0.00 0.00 31.44 30.84 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 -1.80 3.82 0.00 -4.62 1.43 -0.78 -5.03 118.68 111.70 1pfh s LEU 84 Ca 0.37 1.78 0.11 0.00 -1.03 0.00 0.00 54.13 55.36 1pfh s LEU 84 Cb 0.19 -4.54 0.65 0.00 0.03 0.00 0.00 46.19 42.52 1pfh s LEU 84 CO 0.30 -0.63 1.09 -0.62 0.23 0.00 0.00 176.35 176.72