#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 3.36 -0.09 1.12 2.19 -0.13 -4.99 117.98 119.44 1pfh s PHE 2 Ca 0.00 0.29 -0.06 0.00 0.33 0.00 0.00 56.93 57.49 1pfh s PHE 2 Cb 0.00 -1.94 0.03 0.00 -1.31 0.00 0.00 43.02 39.81 1pfh s PHE 2 CO 0.00 0.48 0.23 -1.14 1.83 0.00 0.00 175.22 176.62 1pfh s GLN 3 N -0.56 0.22 -0.17 10.12 -0.44 -1.26 -1.55 119.66 126.02 1pfh s GLN 3 Ca 0.11 0.42 0.01 0.00 -2.50 0.00 0.00 55.36 53.40 1pfh s GLN 3 Cb -0.12 -0.02 0.03 0.00 -1.64 0.00 0.00 33.01 31.26 1pfh s GLN 3 CO 0.02 -0.11 -0.15 -0.65 0.50 0.00 0.00 175.29 174.91 1pfh s GLN 4 N 0.75 2.39 -0.54 1.67 -0.21 -0.54 -5.01 119.66 118.17 1pfh s GLN 4 Ca -0.05 -0.67 -0.26 0.00 0.02 0.00 0.00 55.36 54.40 1pfh s GLN 4 Cb -0.07 -2.26 0.03 0.00 1.00 0.00 0.00 33.01 31.72 1pfh s GLN 4 CO -0.04 -0.27 1.02 -1.21 -2.12 0.00 0.00 175.29 172.67 1pfh s GLU 5 N 1.43 3.44 -0.02 2.91 2.02 -1.26 -0.65 118.70 126.56 1pfh s GLU 5 Ca 0.04 0.00 0.08 0.00 0.02 0.00 0.00 54.97 55.11 1pfh s GLU 5 Cb -0.14 -4.01 -0.02 0.00 0.10 0.00 0.00 34.13 30.06 1pfh s GLU 5 CO -0.11 -1.49 -0.25 0.14 0.02 0.00 0.00 175.26 173.57 1pfh s VAL 6 N 4.23 1.98 0.10 2.63 -7.23 -0.79 -4.93 120.40 116.39 1pfh s VAL 6 Ca 0.36 -1.08 -0.26 0.00 -1.81 0.00 0.00 61.98 59.18 1pfh s VAL 6 Cb -0.10 -1.64 -0.06 0.00 0.56 0.00 0.00 36.38 35.13 1pfh s VAL 6 CO 0.23 0.55 0.82 0.42 -0.31 0.00 0.00 175.10 176.81 1pfh s THR 7 N -0.60 4.55 -0.99 5.32 -4.23 -1.26 -0.36 115.64 118.07 1pfh s THR 7 Ca 0.10 1.77 -0.22 0.00 -1.18 0.00 0.00 61.69 62.15 1pfh s THR 7 Cb -0.10 -4.18 0.06 0.00 1.34 0.00 0.00 72.50 69.63 1pfh s THR 7 CO -0.01 0.40 1.38 -0.63 -0.54 0.00 0.00 174.62 175.23 1pfh s ILE 8 N -0.38 4.07 -0.03 2.99 1.01 -0.53 -4.80 121.20 123.54 1pfh s ILE 8 Ca 0.40 -0.88 0.25 0.00 0.00 0.00 0.00 60.65 60.41 1pfh s ILE 8 Cb -0.22 -5.00 0.27 0.00 0.01 0.00 0.00 42.46 37.51 1pfh s ILE 8 CO 0.26 -1.86 1.77 0.71 0.00 0.00 0.00 174.94 175.82 1pfh h THR 9 N 6.60 0.36 -2.98 2.92 1.35 -1.90 0.26 112.91 119.53 1pfh h THR 9 Ca 0.18 -1.12 -0.52 0.00 -0.55 0.00 0.00 66.41 64.40 1pfh h THR 9 Cb 1.01 1.85 0.05 0.00 -1.73 0.00 0.00 68.15 69.34 1pfh h THR 9 CO 1.37 0.17 0.88 0.00 -0.25 0.00 0.00 175.52 177.68 1pfh s ALA 10 N -3.47 3.77 0.31 6.62 0.00 -1.26 -4.87 121.76 122.86 1pfh s ALA 10 Ca 0.02 1.43 0.06 0.00 0.00 0.00 0.00 51.96 53.47 1pfh s ALA 10 Cb 0.09 -3.62 0.84 0.00 0.00 0.00 0.00 23.12 20.42 1pfh s ALA 10 CO 0.64 -0.82 1.61 -1.35 0.00 0.00 0.00 175.76 175.84 1pfh h PRO 11 N 6.17 0.12 0.00 0.00 0.11 -1.91 -3.16 132.00 133.32 1pfh h PRO 11 Ca -0.44 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.46 1pfh h PRO 11 Cb 1.21 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1pfh h PRO 11 CO 0.88 0.08 -1.73 0.27 -0.21 0.00 0.00 178.00 177.29 1pfh n ASN 12 N -5.30 1.98 0.00 -2.05 0.23 -1.26 -4.67 115.26 104.19 1pfh n ASN 12 Ca 0.25 0.05 0.00 0.00 -0.53 0.00 0.00 54.58 54.35 1pfh n ASN 12 Cb 0.82 -0.29 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 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 2.53 0.23 0.00 4.83 0.00 -1.19 -3.11 105.19 108.47 1pfh n GLY 13 Ca -0.24 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.26 0.99 4.77 -0.81 -4.85 117.00 116.84 1pfh n LEU 14 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 1pfh n LEU 14 Cb 0.00 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.29 1pfh n LEU 14 CO 0.00 0.00 0.90 0.71 -1.33 0.00 0.00 177.39 177.67 1pfh h THR 16 N 0.00 0.40 0.17 -5.08 1.35 -1.92 0.13 112.91 107.97 1pfh h THR 16 Ca 0.00 -0.07 -0.35 0.00 -0.55 0.00 0.00 66.41 65.45 1pfh h THR 16 Cb 0.00 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 66.62 1pfh h THR 16 CO 0.00 0.04 -1.76 0.03 -0.25 0.00 0.00 175.52 173.57 1pfh h ARG 17 N 0.19 0.35 -0.50 4.72 3.08 -1.97 -1.18 114.38 119.07 1pfh h ARG 17 Ca 0.45 -0.61 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 1pfh h ARG 17 Cb 0.81 0.23 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 1pfh h ARG 17 CO -0.60 1.27 0.21 -1.35 -1.07 0.00 0.00 179.97 178.42 1pfh h PRO 18 N 0.10 0.71 -0.65 0.04 0.11 -1.87 -0.70 132.00 129.74 1pfh h PRO 18 Ca -0.34 -0.10 0.07 0.00 0.11 0.00 0.00 66.00 65.74 1pfh h PRO 18 Cb 2.08 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 33.00 1pfh h PRO 18 CO 0.16 0.58 0.34 0.00 -0.21 0.00 0.00 178.00 178.88 1pfh h ALA 19 N 1.52 0.87 -0.69 -0.75 0.00 -0.79 -0.69 119.26 118.73 1pfh h ALA 19 Ca 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1pfh h ALA 19 Cb 0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1pfh h ALA 19 CO -0.02 -0.01 0.39 0.00 0.00 0.00 0.00 179.25 179.61 1pfh h ALA 20 N 1.36 0.89 -0.57 0.00 0.00 -0.58 -1.81 119.26 118.55 1pfh h ALA 20 Ca 0.30 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1pfh h ALA 20 Cb 0.24 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1pfh h ALA 20 CO -0.21 0.39 0.29 1.96 0.00 0.00 0.00 179.25 181.67 1pfh h GLN 21 N 0.95 0.53 -0.63 0.00 4.20 -0.66 -2.58 115.11 116.92 1pfh h GLN 21 Ca 0.24 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.96 1pfh h GLN 21 Cb 0.02 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 27.64 1pfh h GLN 21 CO -0.04 0.35 0.37 0.35 -0.67 0.00 0.00 178.83 179.19 1pfh h PHE 22 N 0.54 0.69 -0.77 2.96 3.04 -0.84 -2.41 116.94 120.16 1pfh h PHE 22 Ca 0.26 0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.29 1pfh h PHE 22 Cb 0.18 -0.22 -0.06 0.00 2.56 0.00 0.00 35.95 38.41 1pfh h PHE 22 CO -0.10 0.37 0.46 0.28 -2.02 0.00 0.00 178.31 177.29 1pfh h VAL 23 N 0.71 1.02 -0.66 1.41 2.07 -1.02 0.33 116.25 120.11 1pfh h VAL 23 Ca 0.26 -0.29 0.11 0.00 0.82 0.00 0.00 66.70 67.60 1pfh h VAL 23 Cb 0.08 0.10 -0.08 0.00 -1.52 0.00 0.00 31.29 29.87 1pfh h VAL 23 CO -0.13 0.15 0.25 0.50 0.02 0.00 0.00 177.57 178.36 1pfh h LYS 24 N 0.84 0.41 0.03 1.57 3.64 -1.05 0.14 116.57 122.15 1pfh h LYS 24 Ca 0.33 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1pfh h LYS 24 Cb 0.16 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1pfh h LYS 24 CO -0.17 0.27 -0.01 1.49 -2.27 0.00 0.00 179.45 178.76 1pfh h GLU 25 N 0.42 -0.03 -0.79 1.90 4.57 -1.50 -3.35 114.58 115.80 1pfh h GLU 25 Ca 0.34 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.64 1pfh h GLU 25 Cb 0.46 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.00 1pfh h GLU 25 CO -0.34 0.64 0.52 0.00 -1.18 0.00 0.00 179.01 178.65 1pfh h ALA 26 N 0.14 1.87 0.00 2.92 0.00 -0.67 0.24 119.26 123.77 1pfh h ALA 26 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pfh h ALA 26 Cb 0.69 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1pfh h ALA 26 CO 0.01 -0.06 0.00 0.87 0.00 0.00 0.00 179.25 180.07 1pfh h LYS 27 N 0.63 0.00 -0.91 0.00 1.57 -0.87 -2.74 116.57 114.25 1pfh h LYS 27 Ca 0.38 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.89 1pfh h LYS 27 Cb 0.60 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.75 1pfh h LYS 27 CO -0.14 0.00 0.34 0.41 -0.57 0.00 0.00 179.45 179.48 1pfh n GLY 28 N -1.09 3.44 3.16 3.86 0.00 0.07 -4.88 105.19 109.76 1pfh n GLY 28 Ca -0.03 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.36 1.43 0.12 1.61 0.08 -1.04 -5.07 117.98 112.76 1pfh s PHE 29 Ca 0.41 -0.32 -0.12 0.00 0.12 0.00 0.00 56.93 57.02 1pfh s PHE 29 Cb 0.33 -0.88 -0.11 0.00 -0.57 0.00 0.00 43.02 41.79 1pfh s PHE 29 CO 0.09 0.02 1.38 1.79 -0.10 0.00 0.00 175.22 178.40 1pfh h THR 30 N 4.58 1.27 -4.01 0.64 1.35 -1.90 -3.44 112.91 111.41 1pfh h THR 30 Ca -0.38 -1.79 -0.53 0.00 -0.55 0.00 0.00 66.41 63.16 1pfh h THR 30 Cb 1.16 1.71 0.10 0.00 -1.73 0.00 0.00 68.15 69.40 1pfh h THR 30 CO 0.46 0.58 0.56 -0.94 -0.25 0.00 0.00 175.52 175.93 1pfh s SER 31 N -7.00 5.80 -0.43 5.36 1.04 -1.26 -5.01 113.70 112.20 1pfh s SER 31 Ca -0.11 2.55 -0.18 0.00 0.48 0.00 0.00 55.95 58.70 1pfh s SER 31 Cb 0.10 -2.62 0.03 0.00 0.10 0.00 0.00 66.02 63.62 1pfh s SER 31 CO 0.90 -1.19 0.49 -0.70 0.98 0.00 0.00 173.24 173.71 1pfh s GLU 32 N -2.73 3.13 -0.57 4.02 2.12 -1.26 -5.02 118.70 118.39 1pfh s GLU 32 Ca 0.66 -0.72 -0.27 0.00 0.36 0.00 0.00 54.97 55.00 1pfh s GLU 32 Cb -0.35 -3.98 -0.02 0.00 0.26 0.00 0.00 34.13 30.04 1pfh s GLU 32 CO 0.42 -0.92 1.79 0.42 -0.54 0.00 0.00 175.26 176.43 1pfh s ILE 33 N 2.29 3.43 -0.22 -3.70 -1.09 -1.26 -4.23 121.20 116.42 1pfh s ILE 33 Ca 0.14 0.30 -0.09 0.00 -2.23 0.00 0.00 60.65 58.77 1pfh s ILE 33 Cb -0.17 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.69 1pfh s ILE 33 CO 0.14 -0.89 0.12 0.42 -1.23 0.00 0.00 174.94 173.50 1pfh s THR 34 N 8.32 5.06 -0.34 2.92 -4.23 -0.47 -1.16 115.64 125.75 1pfh s THR 34 Ca 0.66 0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 61.14 1pfh s THR 34 Cb -0.14 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.37 1pfh s THR 34 CO 0.23 0.39 0.19 -0.69 -0.54 0.00 0.00 174.62 174.20 1pfh s VAL 35 N 0.84 4.72 -0.15 2.29 1.01 -0.29 -1.48 120.40 127.34 1pfh s VAL 35 Ca 0.06 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1pfh s VAL 35 Cb -0.13 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1pfh s VAL 35 CO 0.02 -0.04 -0.12 -0.89 0.00 0.00 0.00 175.10 174.07 1pfh s THR 36 N 1.62 3.03 -0.20 3.92 2.01 -0.04 -1.04 115.64 124.92 1pfh s THR 36 Ca 0.04 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.40 1pfh s THR 36 Cb -0.18 -2.29 0.04 0.00 0.01 0.00 0.00 72.50 70.08 1pfh s THR 36 CO 0.07 0.51 -0.12 -0.55 -0.69 0.00 0.00 174.62 173.83 1pfh s SER 37 N 0.61 3.51 -1.50 3.53 0.15 -0.12 -1.14 113.70 118.74 1pfh s SER 37 Ca -0.07 -0.92 -0.05 0.00 0.70 0.00 0.00 55.95 55.61 1pfh s SER 37 Cb -0.15 -1.34 0.01 0.00 -1.71 0.00 0.00 66.02 62.82 1pfh s SER 37 CO 0.03 -0.12 0.09 -0.46 1.20 0.00 0.00 173.24 173.98 1pfh n ASN 38 N 4.63 0.30 0.00 5.45 0.23 -1.26 -0.79 115.26 123.81 1pfh n ASN 38 Ca -0.16 -1.28 0.00 0.00 -0.53 0.00 0.00 54.58 52.61 1pfh n ASN 38 Cb 0.46 -1.58 0.00 0.00 -2.08 0.00 0.00 39.78 36.58 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 -2.52 2.67 3.67 4.83 0.00 -1.26 -5.02 105.19 107.56 1pfh n GLY 39 Ca -0.30 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 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 4.24 -0.14 1.61 3.01 0.03 -5.00 119.74 123.49 1pfh s LYS 40 Ca 0.00 1.84 -0.06 0.00 -1.01 0.00 0.00 55.97 56.73 1pfh s LYS 40 Cb 0.00 -3.75 -0.04 0.00 -1.01 0.00 0.00 37.83 33.03 1pfh s LYS 40 CO 0.00 -0.68 0.09 0.45 0.51 0.00 0.00 175.35 175.72 1pfh s SER 41 N 2.20 5.96 -0.25 2.83 0.15 -1.26 -0.94 113.70 122.39 1pfh s SER 41 Ca 0.61 0.28 -0.01 0.00 0.70 0.00 0.00 55.95 57.53 1pfh s SER 41 Cb -0.26 -1.93 0.07 0.00 -1.71 0.00 0.00 66.02 62.19 1pfh s SER 41 CO 0.21 0.32 0.02 0.00 1.20 0.00 0.00 173.24 174.99 1pfh s ALA 42 N -0.48 1.61 0.06 5.45 0.00 -0.21 -4.99 121.76 123.19 1pfh s ALA 42 Ca 0.11 -1.31 -0.31 0.00 0.00 0.00 0.00 51.96 50.45 1pfh s ALA 42 Cb -0.12 -1.44 -0.10 0.00 0.00 0.00 0.00 23.12 21.47 1pfh s ALA 42 CO 0.02 -1.34 1.93 0.45 0.00 0.00 0.00 175.76 176.81 1pfh n SER 43 N 4.81 4.08 0.15 0.00 2.88 -1.26 -1.14 113.62 123.14 1pfh n SER 43 Ca -0.07 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 1pfh n SER 43 Cb 0.44 -1.52 0.26 0.00 -0.75 0.00 0.00 64.21 62.64 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 9.84 1.17 -0.24 -1.46 0.00 -1.53 -3.02 119.26 124.03 1pfh h ALA 44 Ca -0.49 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 53.97 1pfh h ALA 44 Cb 1.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1pfh h ALA 44 CO 0.94 0.61 0.06 0.87 0.00 0.00 0.00 179.25 181.73 1pfh h LYS 45 N 0.04 0.33 -4.67 0.00 1.57 -1.88 -3.35 116.57 108.61 1pfh h LYS 45 Ca -0.00 -0.04 -0.71 0.00 -1.87 0.00 0.00 60.65 58.03 1pfh h LYS 45 Cb 0.86 -0.06 -0.20 0.00 0.08 0.00 0.00 32.23 32.90 1pfh h LYS 45 CO 0.06 0.31 -0.07 -1.12 -0.57 0.00 0.00 179.45 178.07 1pfh s SER 46 N -6.83 6.19 0.13 0.86 0.01 -1.18 -4.94 113.70 107.93 1pfh s SER 46 Ca -0.07 -1.17 -0.31 0.00 1.31 0.00 0.00 55.95 55.72 1pfh s SER 46 Cb 0.16 -2.26 -0.10 0.00 0.21 0.00 0.00 66.02 64.04 1pfh s SER 46 CO 0.72 -0.85 1.51 0.25 0.41 0.00 0.00 173.24 175.29 1pfh h LEU 47 N 9.41 -1.80 -1.25 2.44 5.85 -1.78 -1.43 115.31 126.75 1pfh h LEU 47 Ca -0.28 0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.75 1pfh h LEU 47 Cb 1.10 0.75 -0.05 0.00 0.37 0.00 0.00 40.66 42.82 1pfh h LEU 47 CO 0.96 -0.35 0.54 -0.26 -0.34 0.00 0.00 178.44 178.99 1pfh h PHE 48 N -0.32 0.92 -0.02 1.25 0.04 -1.94 -1.08 116.94 115.80 1pfh h PHE 48 Ca 0.08 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.87 1pfh h PHE 48 Cb 0.53 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.38 1pfh h PHE 48 CO -0.77 0.47 0.01 -0.22 -0.60 0.00 0.00 178.31 177.20 1pfh h LYS 49 N 0.90 0.02 -0.74 1.51 3.11 -1.52 -1.21 116.57 118.64 1pfh h LYS 49 Ca 0.36 -0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 58.17 1pfh h LYS 49 Cb 0.26 -0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.45 1pfh h LYS 49 CO -0.13 0.09 0.35 1.25 -2.81 0.00 0.00 179.45 178.19 1pfh h LEU 50 N -0.05 0.97 -2.38 5.20 5.85 -0.99 -2.68 115.31 121.23 1pfh h LEU 50 Ca 0.01 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1pfh h LEU 50 Cb 0.07 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 1pfh h LEU 50 CO -0.00 0.84 -0.03 1.56 -0.34 0.00 0.00 178.44 180.47 1pfh h GLN 51 N 1.04 0.00 -2.72 1.25 4.20 -0.94 -3.21 115.11 114.73 1pfh h GLN 51 Ca 0.25 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 58.33 1pfh h GLN 51 Cb 0.13 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.50 1pfh h GLN 51 CO -0.03 0.03 -0.47 -2.37 -0.67 0.00 0.00 178.83 175.32 1pfh n THR 52 N -3.76 2.28 0.00 -0.54 5.66 -0.48 -4.59 114.28 112.84 1pfh n THR 52 Ca -0.03 -5.10 0.00 0.00 -3.05 0.00 0.00 64.05 55.87 1pfh n THR 52 Cb 0.11 -2.17 0.00 0.00 -1.55 0.00 0.00 70.33 66.73 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 1.48 1.11 0.00 1.09 7.94 -1.21 -4.88 117.00 122.53 1pfh n LEU 53 Ca 0.25 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 1pfh n LEU 53 Cb 0.38 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.33 1pfh n LEU 53 CO 0.36 0.13 0.00 0.61 -1.11 0.00 0.00 177.39 177.38 1pfh n GLY 54 N 2.88 0.81 3.40 -3.96 0.00 -1.26 -5.06 105.19 102.00 1pfh n GLY 54 Ca 0.00 -0.74 -0.45 0.00 0.00 0.00 0.00 46.02 44.83 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 5.77 0.13 0.99 1.43 -1.26 -4.98 118.68 120.75 1pfh s LEU 55 Ca 0.00 -3.28 0.09 0.00 -1.03 0.00 0.00 54.13 49.91 1pfh s LEU 55 Cb 0.00 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 1pfh s LEU 55 CO 0.00 -0.51 -0.22 0.28 0.23 0.00 0.00 176.35 176.13 1pfh s THR 56 N 0.09 1.88 0.15 5.49 -1.32 -1.26 -1.92 115.64 118.74 1pfh s THR 56 Ca 0.36 -1.70 -0.34 0.00 -1.21 0.00 0.00 61.69 58.80 1pfh s THR 56 Cb -0.07 -1.74 -0.16 0.00 -1.51 0.00 0.00 72.50 69.03 1pfh s THR 56 CO -0.05 -0.10 1.25 1.67 -2.21 0.00 0.00 174.62 175.19 1pfh n GLN 57 N 0.82 1.27 0.00 7.08 7.27 -1.18 -3.02 117.38 129.61 1pfh n GLN 57 Ca -0.17 0.45 0.00 0.00 0.07 0.00 0.00 57.00 57.35 1pfh n GLN 57 Cb 0.54 -2.02 0.00 0.00 2.41 0.00 0.00 30.24 31.17 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 2.24 2.13 1.84 1.69 0.00 0.92 -5.01 105.19 109.01 1pfh n GLY 58 Ca 0.16 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 -2.24 2.61 -2.24 -1.17 -3.60 114.28 107.64 1pfh n THR 59 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1pfh n THR 59 Cb 0.00 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 67.94 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 2.72 3.72 -0.35 2.28 1.01 -1.26 -1.45 120.40 127.06 1pfh s VAL 60 Ca 0.62 0.69 -0.10 0.00 0.00 0.00 0.00 61.98 63.19 1pfh s VAL 60 Cb -0.81 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 31.51 1pfh s VAL 60 CO 0.38 -0.76 0.18 0.68 0.00 0.00 0.00 175.10 175.58 1pfh s VAL 61 N 6.27 4.48 -0.59 2.92 -7.23 0.52 -4.60 120.40 122.16 1pfh s VAL 61 Ca 0.65 -0.79 -0.26 0.00 -1.81 0.00 0.00 61.98 59.77 1pfh s VAL 61 Cb -0.15 -3.45 -0.04 0.00 0.56 0.00 0.00 36.38 33.29 1pfh s VAL 61 CO 0.30 -0.16 2.08 -0.89 -0.31 0.00 0.00 175.10 176.13 1pfh s THR 62 N 1.55 3.22 -0.47 5.32 2.01 -0.30 -1.88 115.64 125.09 1pfh s THR 62 Ca 0.02 0.09 -0.18 0.00 0.31 0.00 0.00 61.69 61.94 1pfh s THR 62 Cb -0.19 -3.58 0.05 0.00 0.01 0.00 0.00 72.50 68.80 1pfh s THR 62 CO 0.06 -0.56 0.50 -0.63 -0.69 0.00 0.00 174.62 173.30 1pfh s ILE 63 N 10.48 5.04 -0.08 1.82 1.01 0.17 -0.86 121.20 138.79 1pfh s ILE 63 Ca 0.79 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.87 1pfh s ILE 63 Cb -0.14 -4.17 -0.01 0.00 0.01 0.00 0.00 42.46 38.15 1pfh s ILE 63 CO 0.21 -0.63 -0.22 -0.44 0.00 0.00 0.00 174.94 173.86 1pfh s SER 64 N 2.40 3.31 -0.09 3.58 0.01 -0.55 -1.46 113.70 120.90 1pfh s SER 64 Ca 0.11 -0.46 -0.08 0.00 1.31 0.00 0.00 55.95 56.83 1pfh s SER 64 Cb -0.20 -1.08 0.03 0.00 0.21 0.00 0.00 66.02 64.97 1pfh s SER 64 CO 0.11 0.22 0.25 0.00 0.41 0.00 0.00 173.24 174.23 1pfh s ALA 65 N -0.03 -0.60 -0.10 1.44 0.00 -0.60 -1.37 121.76 120.50 1pfh s ALA 65 Ca -0.07 0.75 0.04 0.00 0.00 0.00 0.00 51.96 52.68 1pfh s ALA 65 Cb -0.15 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1pfh s ALA 65 CO 0.05 -0.13 -0.24 -2.00 0.00 0.00 0.00 175.76 173.44 1pfh s GLU 66 N 0.34 3.04 0.00 0.00 2.12 -1.26 -0.95 118.70 121.99 1pfh s GLU 66 Ca -0.02 -0.88 0.00 0.00 0.36 0.00 0.00 54.97 54.44 1pfh s GLU 66 Cb -0.03 -2.30 0.00 0.00 0.26 0.00 0.00 34.13 32.05 1pfh s GLU 66 CO -0.01 0.17 0.00 0.41 -0.54 0.00 0.00 175.26 175.28 1pfh n GLY 67 N 3.55 -0.08 0.17 -1.50 0.00 -1.26 -4.42 105.19 101.65 1pfh n GLY 67 Ca -0.19 -1.25 -0.15 0.00 0.00 0.00 0.00 46.02 44.43 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 0.51 -0.76 1.61 5.08 -1.99 -3.25 114.58 115.79 1pfh h GLU 68 Ca 0.00 -0.35 -0.24 0.00 -1.00 0.00 0.00 59.36 57.77 1pfh h GLU 68 Cb 0.00 0.05 -0.15 0.00 0.50 0.00 0.00 28.75 29.15 1pfh h GLU 68 CO 0.00 0.96 0.30 -0.40 -1.00 0.00 0.00 179.01 178.87 1pfh n ASP 69 N -4.33 4.72 -0.00 1.42 5.68 -1.26 -4.73 116.55 118.05 1pfh n ASP 69 Ca -0.07 -3.27 -0.09 0.00 -0.50 0.00 0.00 54.79 50.86 1pfh n ASP 69 Cb 0.51 -0.75 -0.03 0.00 -1.14 0.00 0.00 41.12 39.70 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 2.50 -0.13 -0.42 0.11 4.11 -1.88 0.17 114.58 119.05 1pfh h GLU 70 Ca 0.30 0.01 -0.09 0.00 0.07 0.00 0.00 59.36 59.65 1pfh h GLU 70 Cb 2.38 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.64 1pfh h GLU 70 CO 0.77 -0.08 -0.10 -0.56 0.07 0.00 0.00 179.01 179.11 1pfh h GLN 71 N -0.13 0.74 0.12 1.06 -0.00 -1.86 -2.16 115.11 112.87 1pfh h GLN 71 Ca 0.08 -0.24 -0.01 0.00 -0.00 0.00 0.00 58.65 58.49 1pfh h GLN 71 Cb 0.25 -0.07 0.00 0.00 -0.00 0.00 0.00 27.48 27.66 1pfh h GLN 71 CO -0.20 0.82 -0.06 0.87 -0.00 0.00 0.00 178.83 180.26 1pfh h LYS 72 N 0.67 -0.15 0.17 0.06 1.57 -1.64 -2.86 116.57 114.39 1pfh h LYS 72 Ca 0.12 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1pfh h LYS 72 Cb 0.56 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1pfh h LYS 72 CO 0.03 0.32 -0.08 0.00 -0.57 0.00 0.00 179.45 179.15 1pfh h ALA 73 N -0.02 -0.23 0.06 3.86 0.00 -0.63 -0.64 119.26 121.66 1pfh h ALA 73 Ca -0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1pfh h ALA 73 Cb 0.54 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1pfh h ALA 73 CO 0.03 -0.63 -0.03 0.28 0.00 0.00 0.00 179.25 178.90 1pfh h VAL 74 N -0.24 0.96 0.13 0.00 2.07 -1.48 -1.08 116.25 116.61 1pfh h VAL 74 Ca -0.02 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.43 1pfh h VAL 74 Cb 0.18 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1pfh h VAL 74 CO 0.04 0.02 -0.31 -0.08 0.02 0.00 0.00 177.57 177.26 1pfh h GLU 75 N -0.12 -0.51 -0.02 1.57 4.81 -1.38 -1.68 114.58 117.24 1pfh h GLU 75 Ca -0.01 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1pfh h GLU 75 Cb 0.10 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 1pfh h GLU 75 CO 0.01 -0.34 -0.26 1.25 -0.73 0.00 0.00 179.01 178.94 1pfh h HIS 76 N -0.53 -0.70 0.00 0.92 2.76 -0.99 -2.20 115.15 114.41 1pfh h HIS 76 Ca 0.03 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.14 1pfh h HIS 76 Cb 0.56 0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.82 1pfh h HIS 76 CO -0.27 -0.35 -0.41 -0.07 -1.30 0.00 0.00 177.93 175.53 1pfh h LEU 77 N -0.39 0.00 -0.26 0.26 3.38 -1.01 -1.50 115.31 115.78 1pfh h LEU 77 Ca 0.07 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1pfh h LEU 77 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1pfh h LEU 77 CO -0.25 0.41 -0.24 0.58 0.09 0.00 0.00 178.44 179.04 1pfh h VAL 78 N 0.00 1.31 -0.70 1.22 2.07 -1.04 -1.59 116.25 117.51 1pfh h VAL 78 Ca -0.00 -1.39 0.08 0.00 0.82 0.00 0.00 66.70 66.20 1pfh h VAL 78 Cb 0.78 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 32.10 1pfh h VAL 78 CO 0.05 0.44 0.38 0.11 0.02 0.00 0.00 177.57 178.57 1pfh h LYS 79 N 0.35 0.65 -0.04 1.57 1.57 -1.04 -0.65 116.57 118.97 1pfh h LYS 79 Ca 0.05 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1pfh h LYS 79 Cb 0.79 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1pfh h LYS 79 CO 0.06 0.43 -0.08 1.25 -0.57 0.00 0.00 179.45 180.53 1pfh h LEU 80 N 0.67 -0.25 -0.58 2.94 6.46 -1.22 -1.38 115.31 121.94 1pfh h LEU 80 Ca 0.33 0.05 0.08 0.00 -0.12 0.00 0.00 57.88 58.21 1pfh h LEU 80 Cb 0.28 0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 40.26 1pfh h LEU 80 CO -0.22 -0.12 0.25 -0.03 -0.62 0.00 0.00 178.44 177.69 1pfh h MET 81 N -0.13 0.44 0.00 1.25 4.05 -0.91 -2.22 114.93 117.42 1pfh h MET 81 Ca 0.05 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1pfh h MET 81 Cb 0.19 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 30.89 1pfh h MET 81 CO -0.12 0.29 0.00 0.00 0.23 0.00 0.00 176.91 177.31 1pfh h ALA 82 N 1.37 1.00 -0.60 0.39 0.00 -0.37 -2.99 119.26 118.06 1pfh h ALA 82 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.78 1pfh h ALA 82 Cb 0.29 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.81 1pfh h ALA 82 CO -0.25 0.00 -0.31 0.39 0.00 0.00 0.00 179.25 179.07 1pfh n GLU 83 N -3.08 2.76 -3.62 0.00 1.02 -0.59 -5.03 120.64 112.10 1pfh n GLU 83 Ca -0.01 -3.67 -0.23 0.00 -0.02 0.00 0.00 57.16 53.22 1pfh n GLU 83 Cb 0.19 -2.09 -0.00 0.00 -0.02 0.00 0.00 31.44 29.52 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 -3.51 3.04 0.00 -4.62 1.43 -1.13 -4.99 118.68 108.89 1pfh s LEU 84 Ca 0.50 -0.99 0.30 0.00 -1.03 0.00 0.00 54.13 52.92 1pfh s LEU 84 Cb 0.42 -1.60 1.52 0.00 0.03 0.00 0.00 46.19 46.57 1pfh s LEU 84 CO 0.01 -0.97 2.01 -0.62 0.23 0.00 0.00 176.35 177.01