#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 2.93 -0.28 1.12 5.36 -0.61 -4.97 117.98 121.53 1pfh s PHE 2 Ca 0.00 -2.05 -0.06 0.00 -0.96 0.00 0.00 56.93 53.86 1pfh s PHE 2 Cb 0.00 -1.82 0.00 0.00 -0.34 0.00 0.00 43.02 40.86 1pfh s PHE 2 CO 0.00 -0.83 0.06 -0.65 -1.46 0.00 0.00 175.22 172.33 1pfh s GLN 3 N 1.22 3.21 -0.20 10.12 -0.21 -1.26 -0.87 119.66 131.67 1pfh s GLN 3 Ca -0.06 -0.77 0.01 0.00 0.02 0.00 0.00 55.36 54.56 1pfh s GLN 3 Cb -0.19 -3.30 0.03 0.00 1.00 0.00 0.00 33.01 30.55 1pfh s GLN 3 CO -0.06 -0.37 -0.18 -1.14 -2.12 0.00 0.00 175.29 171.42 1pfh s GLN 4 N 1.51 2.87 -0.41 2.91 0.74 -0.52 -4.99 119.66 121.76 1pfh s GLN 4 Ca 0.03 -0.92 -0.22 0.00 0.05 0.00 0.00 55.36 54.31 1pfh s GLN 4 Cb -0.16 -2.65 0.02 0.00 1.10 0.00 0.00 33.01 31.31 1pfh s GLN 4 CO 0.02 -0.28 0.72 -1.21 -0.55 0.00 0.00 175.29 173.98 1pfh s GLU 5 N 1.26 3.48 0.22 1.67 2.02 -1.26 -1.23 118.70 124.87 1pfh s GLU 5 Ca 0.02 -0.08 0.06 0.00 0.02 0.00 0.00 54.97 55.00 1pfh s GLU 5 Cb -0.14 -3.90 -0.05 0.00 0.10 0.00 0.00 34.13 30.14 1pfh s GLU 5 CO -0.11 -0.97 -0.09 0.14 0.02 0.00 0.00 175.26 174.25 1pfh s VAL 6 N 3.02 1.52 -0.07 2.63 -7.23 -0.31 -5.01 120.40 114.95 1pfh s VAL 6 Ca 0.27 -2.14 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 1pfh s VAL 6 Cb -0.13 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.62 1pfh s VAL 6 CO 0.19 -0.50 -0.13 0.42 -0.31 0.00 0.00 175.10 174.78 1pfh s THR 7 N -3.10 3.18 -0.40 5.32 -4.23 -1.26 -0.16 115.64 114.99 1pfh s THR 7 Ca 0.24 -0.66 -0.17 0.00 -1.18 0.00 0.00 61.69 59.92 1pfh s THR 7 Cb 0.02 -2.28 0.01 0.00 1.34 0.00 0.00 72.50 71.59 1pfh s THR 7 CO 0.07 0.58 0.46 -0.63 -0.54 0.00 0.00 174.62 174.56 1pfh s ILE 8 N -0.49 5.06 -0.12 2.99 1.01 0.16 -4.95 121.20 124.86 1pfh s ILE 8 Ca 0.07 -0.16 0.18 0.00 0.00 0.00 0.00 60.65 60.74 1pfh s ILE 8 Cb -0.12 -4.01 -0.27 0.00 0.01 0.00 0.00 42.46 38.07 1pfh s ILE 8 CO 0.02 -0.36 0.43 0.35 0.00 0.00 0.00 174.94 175.38 1pfh n THR 9 N 5.45 0.00 -1.71 2.92 -2.24 -1.26 -0.41 114.28 117.03 1pfh n THR 9 Ca -0.07 -0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 60.94 1pfh n THR 9 Cb 0.48 0.21 0.01 0.00 -2.10 0.00 0.00 70.33 68.93 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 -2.03 1.42 -0.13 6.98 0.00 -1.26 -4.42 120.51 121.08 1pfh n ALA 10 Ca -0.02 0.29 -0.10 0.00 0.00 0.00 0.00 53.44 53.60 1pfh n ALA 10 Cb 0.44 -2.28 -0.05 0.00 0.00 0.00 0.00 19.45 17.56 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 2.24 -0.31 0.00 0.00 0.11 -1.95 -2.37 132.00 129.72 1pfh h PRO 11 Ca -0.48 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1pfh h PRO 11 Cb 1.29 0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.47 1pfh h PRO 11 CO 0.61 -0.21 -1.88 0.27 -0.21 0.00 0.00 178.00 176.58 1pfh n ASN 12 N -5.41 0.67 0.00 -2.05 0.23 -1.26 -3.64 115.26 103.79 1pfh n ASN 12 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.04 1pfh n ASN 12 Cb 0.35 1.84 0.00 0.00 -2.08 0.00 0.00 39.78 39.89 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 1.44 3.41 0.00 4.83 0.00 -1.10 -4.05 105.19 109.71 1pfh n GLY 13 Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.10 0.99 4.77 0.05 -4.90 117.00 117.80 1pfh n LEU 14 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1pfh n LEU 14 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1pfh n LEU 14 CO 0.00 -0.32 0.51 0.71 -1.33 0.00 0.00 177.39 176.96 1pfh h THR 16 N -0.07 0.01 -0.03 -5.08 1.35 -1.93 0.20 112.91 107.37 1pfh h THR 16 Ca 0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 66.41 65.69 1pfh h THR 16 Cb 0.00 0.01 0.01 0.00 -1.73 0.00 0.00 68.15 66.44 1pfh h THR 16 CO 0.00 0.00 -0.65 0.03 -0.25 0.00 0.00 175.52 174.65 1pfh h ARG 17 N -0.44 0.49 0.00 4.72 2.47 -1.99 0.18 114.38 119.81 1pfh h ARG 17 Ca 0.07 -0.49 -0.01 0.00 -1.26 0.00 0.00 59.98 58.29 1pfh h ARG 17 Cb 0.62 0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 29.07 1pfh h ARG 17 CO -0.55 1.13 -0.06 -1.35 0.56 0.00 0.00 179.97 179.70 1pfh h PRO 18 N 0.04 0.00 -0.03 0.04 0.11 -1.91 -2.39 132.00 127.85 1pfh h PRO 18 Ca -0.07 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.83 1pfh h PRO 18 Cb 1.34 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 1pfh h PRO 18 CO 0.13 0.06 -0.86 0.00 -0.21 0.00 0.00 178.00 177.12 1pfh h ALA 19 N 1.94 0.45 -0.85 -0.75 0.00 -0.26 -2.10 119.26 117.69 1pfh h ALA 19 Ca -0.00 -0.67 0.05 0.00 0.00 0.00 0.00 54.91 54.29 1pfh h ALA 19 Cb 0.14 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1pfh h ALA 19 CO 0.01 0.80 0.56 0.00 0.00 0.00 0.00 179.25 180.62 1pfh h ALA 20 N 0.82 1.53 -0.45 0.00 0.00 -0.17 0.88 119.26 121.88 1pfh h ALA 20 Ca -0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1pfh h ALA 20 Cb 1.48 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1pfh h ALA 20 CO 0.15 0.36 0.08 1.96 0.00 0.00 0.00 179.25 181.79 1pfh h GLN 21 N 0.99 0.74 -0.70 0.00 4.20 -1.14 -1.35 115.11 117.85 1pfh h GLN 21 Ca 0.36 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 1pfh h GLN 21 Cb 0.14 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1pfh h GLN 21 CO -0.12 0.76 0.20 0.35 -0.67 0.00 0.00 178.83 179.35 1pfh h PHE 22 N 0.60 1.12 -0.14 2.96 3.04 -0.79 -2.59 116.94 121.14 1pfh h PHE 22 Ca 0.14 -0.11 0.02 0.00 3.98 0.00 0.00 57.97 61.99 1pfh h PHE 22 Cb 0.38 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.55 1pfh h PHE 22 CO 0.03 0.90 0.03 0.28 -2.02 0.00 0.00 178.31 177.53 1pfh h VAL 23 N 1.04 0.94 -0.77 1.41 2.07 -0.69 -1.84 116.25 118.42 1pfh h VAL 23 Ca 0.22 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.78 1pfh h VAL 23 Cb 0.32 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1pfh h VAL 23 CO -0.00 0.02 0.44 0.50 0.02 0.00 0.00 177.57 178.54 1pfh h LYS 24 N 0.09 0.76 -0.35 1.57 3.11 -0.88 0.26 116.57 121.13 1pfh h LYS 24 Ca 0.06 -0.05 -0.11 0.00 -2.81 0.00 0.00 60.65 57.75 1pfh h LYS 24 Cb 0.05 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.10 1pfh h LYS 24 CO -0.08 0.50 -0.21 1.49 -2.81 0.00 0.00 179.45 178.34 1pfh h GLU 25 N 0.78 0.77 0.00 1.90 4.57 -1.26 -2.82 114.58 118.52 1pfh h GLU 25 Ca 0.35 -0.35 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1pfh h GLU 25 Cb 0.25 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1pfh h GLU 25 CO -0.21 0.97 -0.23 0.00 -1.18 0.00 0.00 179.01 178.37 1pfh h ALA 26 N 0.78 1.37 0.00 2.92 0.00 -0.89 -1.32 119.26 122.12 1pfh h ALA 26 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1pfh h ALA 26 Cb 0.76 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1pfh h ALA 26 CO 0.06 0.29 0.00 1.63 0.00 0.00 0.00 179.25 181.23 1pfh n LYS 27 N -3.90 0.06 -0.05 0.00 5.02 0.04 -3.30 118.16 116.03 1pfh n LYS 27 Ca -0.02 0.33 -0.13 0.00 -2.02 0.00 0.00 58.31 56.48 1pfh n LYS 27 Cb 0.32 -1.62 -0.14 0.00 -0.02 0.00 0.00 35.03 33.56 1pfh n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pfh n GLY 28 N -0.15 -0.84 3.71 0.72 0.00 -0.50 -4.93 105.19 103.20 1pfh n GLY 28 Ca 0.03 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.56 3.25 0.36 1.61 0.08 -1.21 -4.96 117.98 114.56 1pfh s PHE 29 Ca -0.13 1.12 0.09 0.00 0.12 0.00 0.00 56.93 58.14 1pfh s PHE 29 Cb 0.07 -3.52 0.83 0.00 -0.57 0.00 0.00 43.02 39.83 1pfh s PHE 29 CO 0.79 -1.74 1.88 1.79 -0.10 0.00 0.00 175.22 177.84 1pfh h THR 30 N 4.60 0.84 -4.04 0.64 1.35 -1.91 -3.42 112.91 110.96 1pfh h THR 30 Ca -0.40 -0.23 -0.54 0.00 -0.55 0.00 0.00 66.41 64.68 1pfh h THR 30 Cb 1.20 0.11 0.13 0.00 -1.73 0.00 0.00 68.15 67.85 1pfh h THR 30 CO 0.85 0.12 0.60 -0.94 -0.25 0.00 0.00 175.52 175.90 1pfh s SER 31 N -5.82 5.39 -0.57 5.36 1.04 -1.26 -4.85 113.70 112.99 1pfh s SER 31 Ca -0.10 2.72 -0.14 0.00 0.48 0.00 0.00 55.95 58.92 1pfh s SER 31 Cb 0.22 -2.63 0.14 0.00 0.10 0.00 0.00 66.02 63.85 1pfh s SER 31 CO 0.79 -1.48 0.50 -0.70 0.98 0.00 0.00 173.24 173.32 1pfh s GLU 32 N -2.87 2.94 -0.17 4.02 2.12 -1.15 -4.98 118.70 118.62 1pfh s GLU 32 Ca 0.70 -1.87 -0.29 0.00 0.36 0.00 0.00 54.97 53.87 1pfh s GLU 32 Cb -0.39 -4.21 -0.05 0.00 0.26 0.00 0.00 34.13 29.74 1pfh s GLU 32 CO 0.47 -1.28 2.04 0.42 -0.54 0.00 0.00 175.26 176.36 1pfh s ILE 33 N 1.25 3.15 -0.13 -3.70 -1.09 -1.26 -3.98 121.20 115.44 1pfh s ILE 33 Ca 0.07 0.16 -0.11 0.00 -2.23 0.00 0.00 60.65 58.54 1pfh s ILE 33 Cb -0.26 -3.17 -0.05 0.00 -1.58 0.00 0.00 42.46 37.41 1pfh s ILE 33 CO -0.00 -0.08 0.23 0.42 -1.23 0.00 0.00 174.94 174.28 1pfh s THR 34 N 6.83 5.34 -0.54 2.92 -4.23 -0.03 -0.48 115.64 125.45 1pfh s THR 34 Ca 0.92 0.42 -0.04 0.00 -1.18 0.00 0.00 61.69 61.81 1pfh s THR 34 Cb -0.33 -3.54 0.14 0.00 1.34 0.00 0.00 72.50 70.11 1pfh s THR 34 CO 0.36 0.51 0.37 -0.69 -0.54 0.00 0.00 174.62 174.62 1pfh s VAL 35 N -0.30 3.73 -0.62 2.29 1.01 -0.17 -1.67 120.40 124.67 1pfh s VAL 35 Ca 0.16 -2.49 -0.22 0.00 0.00 0.00 0.00 61.98 59.42 1pfh s VAL 35 Cb -0.13 -3.46 0.06 0.00 0.00 0.00 0.00 36.38 32.85 1pfh s VAL 35 CO 0.04 -0.81 0.92 -0.89 0.00 0.00 0.00 175.10 174.36 1pfh s THR 36 N 0.53 4.40 -0.25 3.92 2.01 -0.91 -0.48 115.64 124.86 1pfh s THR 36 Ca 0.13 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.87 1pfh s THR 36 Cb -0.21 -4.61 0.04 0.00 0.01 0.00 0.00 72.50 67.73 1pfh s THR 36 CO -0.04 -1.32 -0.09 -0.55 -0.69 0.00 0.00 174.62 171.94 1pfh s SER 37 N 3.42 4.30 -1.13 3.53 0.15 -0.40 -0.82 113.70 122.75 1pfh s SER 37 Ca 0.23 -1.13 -0.25 0.00 0.70 0.00 0.00 55.95 55.49 1pfh s SER 37 Cb -0.16 -1.60 0.02 0.00 -1.71 0.00 0.00 66.02 62.57 1pfh s SER 37 CO 0.12 -0.16 0.72 -0.46 1.20 0.00 0.00 173.24 174.66 1pfh n ASN 38 N 4.55 -4.81 -1.30 5.45 0.23 -1.26 -1.79 115.26 116.34 1pfh n ASN 38 Ca -0.15 -1.12 -0.17 0.00 -0.53 0.00 0.00 54.58 52.61 1pfh n ASN 38 Cb 0.45 -2.45 -0.07 0.00 -2.08 0.00 0.00 39.78 35.63 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 -1.88 1.68 3.08 4.83 0.00 -1.26 -5.01 105.19 106.63 1pfh n GLY 39 Ca -0.12 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.43 2.13 -0.53 1.61 1.02 -0.74 -5.08 119.74 114.72 1pfh s LYS 40 Ca 0.00 -1.45 -0.22 0.00 0.02 0.00 0.00 55.97 54.33 1pfh s LYS 40 Cb 0.00 -3.03 0.05 0.00 -0.52 0.00 0.00 37.83 34.33 1pfh s LYS 40 CO 0.00 -0.66 0.78 -1.12 -0.92 0.00 0.00 175.35 173.43 1pfh s SER 41 N 1.12 6.28 -0.39 2.83 0.01 -1.26 -1.28 113.70 121.03 1pfh s SER 41 Ca -0.04 -0.62 -0.06 0.00 1.31 0.00 0.00 55.95 56.54 1pfh s SER 41 Cb -0.20 -2.36 0.08 0.00 0.21 0.00 0.00 66.02 63.74 1pfh s SER 41 CO -0.05 -1.06 0.18 0.00 0.41 0.00 0.00 173.24 172.73 1pfh s ALA 42 N 3.29 3.15 -0.33 1.44 0.00 0.37 -4.87 121.76 124.80 1pfh s ALA 42 Ca 0.23 -2.12 -0.36 0.00 0.00 0.00 0.00 51.96 49.71 1pfh s ALA 42 Cb -0.16 -2.43 -0.12 0.00 0.00 0.00 0.00 23.12 20.42 1pfh s ALA 42 CO 0.16 -1.58 2.14 0.45 0.00 0.00 0.00 175.76 176.92 1pfh n SER 43 N 4.78 2.17 0.26 0.00 2.88 -1.26 -1.00 113.62 121.45 1pfh n SER 43 Ca -0.09 0.50 0.17 0.00 -1.33 0.00 0.00 58.87 58.13 1pfh n SER 43 Cb 0.43 -1.24 0.82 0.00 -0.75 0.00 0.00 64.21 63.47 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 11.67 1.00 0.00 -1.46 0.00 -1.13 -2.07 119.26 127.28 1pfh h ALA 44 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1pfh h ALA 44 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1pfh h ALA 44 CO 1.01 0.00 0.00 1.17 0.00 0.00 0.00 179.25 181.43 1pfh n LYS 45 N -2.83 0.03 -3.89 0.00 4.81 -1.26 -4.37 118.16 110.66 1pfh n LYS 45 Ca -0.01 0.08 -0.35 0.00 -0.87 0.00 0.00 58.31 57.16 1pfh n LYS 45 Cb 0.18 -1.54 -0.14 0.00 0.02 0.00 0.00 35.03 33.55 1pfh n LYS 45 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1pfh s SER 46 N -3.20 4.47 0.19 3.14 0.15 -0.78 -4.77 113.70 112.91 1pfh s SER 46 Ca 0.12 -0.54 -0.20 0.00 0.70 0.00 0.00 55.95 56.03 1pfh s SER 46 Cb 0.16 -1.75 0.14 0.00 -1.71 0.00 0.00 66.02 62.86 1pfh s SER 46 CO 0.49 -0.07 1.59 0.25 1.20 0.00 0.00 173.24 176.70 1pfh h LEU 47 N 8.12 -1.07 -0.42 3.45 7.12 -1.84 -1.25 115.31 129.41 1pfh h LEU 47 Ca -0.38 0.22 -0.15 0.00 0.13 0.00 0.00 57.88 57.70 1pfh h LEU 47 Cb 1.14 0.54 -0.01 0.00 -0.53 0.00 0.00 40.66 41.81 1pfh h LEU 47 CO 0.60 -0.29 -0.33 -0.26 -0.13 0.00 0.00 178.44 178.02 1pfh h PHE 48 N -0.15 1.14 0.17 1.25 0.04 -1.95 -3.31 116.94 114.13 1pfh h PHE 48 Ca 0.24 -0.32 -0.01 0.00 2.80 0.00 0.00 57.97 60.68 1pfh h PHE 48 Cb 0.54 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1pfh h PHE 48 CO -0.61 1.15 -0.08 0.87 -0.60 0.00 0.00 178.31 179.04 1pfh h LYS 49 N 0.80 -0.22 -0.25 1.51 1.57 -1.47 -1.87 116.57 116.64 1pfh h LYS 49 Ca 0.08 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1pfh h LYS 49 Cb 0.93 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1pfh h LYS 49 CO 0.09 0.02 0.06 1.25 -0.57 0.00 0.00 179.45 180.30 1pfh h LEU 50 N -0.43 0.39 -1.28 2.94 5.85 -1.66 -3.07 115.31 118.05 1pfh h LEU 50 Ca -0.02 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 1pfh h LEU 50 Cb 0.34 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1pfh h LEU 50 CO 0.04 0.52 -0.02 1.56 -0.34 0.00 0.00 178.44 180.20 1pfh h GLN 51 N 0.24 0.46 -0.02 1.25 4.20 -1.62 -3.21 115.11 116.41 1pfh h GLN 51 Ca 0.08 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1pfh h GLN 51 Cb 0.29 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1pfh h GLN 51 CO 0.00 0.50 -0.14 0.00 -0.67 0.00 0.00 178.83 178.53 1pfh h THR 52 N 0.44 1.52 -0.87 -0.54 1.03 -1.27 -3.41 112.91 109.82 1pfh h THR 52 Ca 0.09 -1.73 0.14 0.00 -0.01 0.00 0.00 66.41 64.90 1pfh h THR 52 Cb 0.33 2.61 -0.15 0.00 -1.07 0.00 0.00 68.15 69.87 1pfh h THR 52 CO 0.01 0.47 -0.31 -0.11 -0.01 0.00 0.00 175.52 175.57 1pfh n LEU 53 N -4.62 -0.51 0.00 0.00 7.94 -1.17 -4.78 117.00 113.87 1pfh n LEU 53 Ca -0.09 1.51 0.00 0.00 -1.11 0.00 0.00 56.01 56.32 1pfh n LEU 53 Cb 0.42 -0.37 0.00 0.00 0.53 0.00 0.00 43.42 44.00 1pfh n LEU 53 CO 0.37 -1.38 0.00 0.61 -1.11 0.00 0.00 177.39 175.88 1pfh n GLY 54 N -1.44 0.66 3.54 -3.96 0.00 -1.26 -5.07 105.19 97.67 1pfh n GLY 54 Ca 0.10 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 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 3.54 0.00 0.99 1.43 -1.26 -4.91 118.68 118.46 1pfh s LEU 55 Ca 0.00 -1.05 -0.01 0.00 -1.03 0.00 0.00 54.13 52.04 1pfh s LEU 55 Cb 0.00 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.68 1pfh s LEU 55 CO 0.00 -1.61 0.12 1.07 0.23 0.00 0.00 176.35 176.16 1pfh n THR 56 N 6.52 0.00 -1.66 5.49 5.66 -1.26 -0.77 114.28 128.26 1pfh n THR 56 Ca 0.18 -0.37 -0.50 0.00 -3.05 0.00 0.00 64.05 60.31 1pfh n THR 56 Cb 0.50 0.24 -0.05 0.00 -1.55 0.00 0.00 70.33 69.46 1pfh n THR 56 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1pfh n GLN 57 N -0.13 1.73 -1.22 1.09 7.27 -0.91 -2.98 117.38 122.24 1pfh n GLN 57 Ca -0.00 0.63 0.00 0.00 0.07 0.00 0.00 57.00 57.70 1pfh n GLN 57 Cb 0.13 -2.37 0.00 0.00 2.41 0.00 0.00 30.24 30.41 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 3.56 0.39 3.32 1.69 0.00 0.45 -4.96 105.19 109.64 1pfh n GLY 58 Ca 0.20 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.00 4.72 -0.25 2.61 -4.23 -0.53 -4.89 115.64 111.07 1pfh s THR 59 Ca 0.00 -1.28 -0.29 0.00 -1.18 0.00 0.00 61.69 58.94 1pfh s THR 59 Cb 0.00 -3.88 -0.02 0.00 1.34 0.00 0.00 72.50 69.94 1pfh s THR 59 CO 0.00 -0.57 1.64 -0.69 -0.54 0.00 0.00 174.62 174.46 1pfh s VAL 60 N 1.53 3.66 -0.19 2.29 1.01 -1.26 -0.67 120.40 126.77 1pfh s VAL 60 Ca 0.04 0.73 0.01 0.00 0.00 0.00 0.00 61.98 62.76 1pfh s VAL 60 Cb -0.24 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.44 1pfh s VAL 60 CO 0.04 -0.35 -0.15 0.68 0.00 0.00 0.00 175.10 175.32 1pfh s VAL 61 N 5.55 1.90 -0.66 2.92 -7.23 0.77 -4.15 120.40 119.50 1pfh s VAL 61 Ca 0.72 -1.01 -0.23 0.00 -1.81 0.00 0.00 61.98 59.65 1pfh s VAL 61 Cb -0.24 -1.83 0.06 0.00 0.56 0.00 0.00 36.38 34.94 1pfh s VAL 61 CO 0.30 0.35 1.00 -0.89 -0.31 0.00 0.00 175.10 175.56 1pfh s THR 62 N 1.32 4.26 -0.62 5.32 2.01 -0.00 -1.16 115.64 126.76 1pfh s THR 62 Ca 0.01 -0.24 -0.22 0.00 0.31 0.00 0.00 61.69 61.55 1pfh s THR 62 Cb -0.15 -4.70 0.07 0.00 0.01 0.00 0.00 72.50 67.73 1pfh s THR 62 CO -0.10 -1.49 0.90 -0.63 -0.69 0.00 0.00 174.62 172.61 1pfh s ILE 63 N 4.25 4.44 -0.14 1.82 1.01 -0.36 -2.14 121.20 130.08 1pfh s ILE 63 Ca 0.24 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.55 1pfh s ILE 63 Cb -0.16 -4.61 -0.00 0.00 0.01 0.00 0.00 42.46 37.70 1pfh s ILE 63 CO 0.11 -1.31 -0.16 -0.44 0.00 0.00 0.00 174.94 173.14 1pfh s SER 64 N 3.46 3.64 -0.12 3.58 0.01 -0.67 -1.43 113.70 122.17 1pfh s SER 64 Ca 0.22 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 57.04 1pfh s SER 64 Cb -0.17 -1.55 0.02 0.00 0.21 0.00 0.00 66.02 64.53 1pfh s SER 64 CO 0.11 0.11 -0.15 0.00 0.41 0.00 0.00 173.24 173.73 1pfh s ALA 65 N 0.63 1.72 -0.28 1.44 0.00 -0.05 -0.85 121.76 124.38 1pfh s ALA 65 Ca -0.09 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.13 1pfh s ALA 65 Cb -0.16 -0.89 0.07 0.00 0.00 0.00 0.00 23.12 22.14 1pfh s ALA 65 CO 0.03 -0.16 -0.06 -2.00 0.00 0.00 0.00 175.76 173.57 1pfh s GLU 66 N 1.13 2.13 0.00 0.00 2.12 -1.26 -1.58 118.70 121.24 1pfh s GLU 66 Ca -0.04 -1.44 0.00 0.00 0.36 0.00 0.00 54.97 53.85 1pfh s GLU 66 Cb -0.14 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.25 1pfh s GLU 66 CO -0.04 -0.65 0.00 0.41 -0.54 0.00 0.00 175.26 174.44 1pfh n GLY 67 N 4.43 -0.09 0.32 -1.50 0.00 -1.26 -2.96 105.19 104.13 1pfh n GLY 67 Ca -0.11 -1.40 0.09 0.00 0.00 0.00 0.00 46.02 44.60 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 0.64 -0.97 1.61 5.08 -1.97 -2.73 114.58 116.24 1pfh h GLU 68 Ca 0.00 -0.04 -0.66 0.00 -1.00 0.00 0.00 59.36 57.66 1pfh h GLU 68 Cb 0.00 -0.14 -0.31 0.00 0.50 0.00 0.00 28.75 28.80 1pfh h GLU 68 CO 0.00 0.42 0.67 -0.40 -1.00 0.00 0.00 179.01 178.70 1pfh n ASP 69 N -4.85 7.30 -0.36 1.42 5.68 -1.26 -4.75 116.55 119.73 1pfh n ASP 69 Ca 0.19 -3.78 0.06 0.00 -0.50 0.00 0.00 54.79 50.76 1pfh n ASP 69 Cb 0.48 -0.90 0.23 0.00 -1.14 0.00 0.00 41.12 39.79 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 2.00 0.99 0.07 0.11 4.11 -1.79 0.68 114.58 120.76 1pfh h GLU 70 Ca 0.58 -0.06 -0.24 0.00 0.07 0.00 0.00 59.36 59.71 1pfh h GLU 70 Cb 0.93 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1pfh h GLU 70 CO 1.49 0.66 -1.27 -0.56 0.07 0.00 0.00 179.01 179.40 1pfh h GLN 71 N 1.02 0.14 -0.61 1.06 -0.00 -1.88 -3.25 115.11 111.59 1pfh h GLN 71 Ca 0.49 -0.24 0.11 0.00 -0.00 0.00 0.00 58.65 59.00 1pfh h GLN 71 Cb 0.44 0.09 -0.08 0.00 -0.00 0.00 0.00 27.48 27.92 1pfh h GLN 71 CO -0.25 1.12 0.16 0.87 -0.00 0.00 0.00 178.83 180.73 1pfh h LYS 72 N -0.57 0.30 0.26 0.06 1.57 -1.86 -2.19 116.57 114.13 1pfh h LYS 72 Ca -0.30 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 1pfh h LYS 72 Cb 1.56 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.80 1pfh h LYS 72 CO -0.03 0.20 -0.13 0.00 -0.57 0.00 0.00 179.45 178.92 1pfh h ALA 73 N 1.46 -0.35 -0.53 3.86 0.00 -0.99 -2.46 119.26 120.25 1pfh h ALA 73 Ca 0.32 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1pfh h ALA 73 Cb 0.45 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1pfh h ALA 73 CO -0.37 -0.57 0.32 0.28 0.00 0.00 0.00 179.25 178.91 1pfh h VAL 74 N -0.61 1.16 -0.06 0.00 2.07 -1.57 -2.39 116.25 114.84 1pfh h VAL 74 Ca -0.04 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.16 1pfh h VAL 74 Cb 0.44 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1pfh h VAL 74 CO 0.06 0.16 -0.11 -0.08 0.02 0.00 0.00 177.57 177.62 1pfh h GLU 75 N 0.71 -0.15 -0.19 1.57 4.81 -1.38 0.82 114.58 120.77 1pfh h GLU 75 Ca 0.19 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.48 1pfh h GLU 75 Cb -0.02 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 1pfh h GLU 75 CO -0.04 -0.10 -0.15 1.25 -0.73 0.00 0.00 179.01 179.24 1pfh h HIS 76 N -0.16 -0.36 -0.13 0.92 2.76 -1.30 -2.37 115.15 114.50 1pfh h HIS 76 Ca 0.06 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.24 1pfh h HIS 76 Cb 0.25 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 1pfh h HIS 76 CO -0.20 -0.21 0.01 -0.07 -1.30 0.00 0.00 177.93 176.16 1pfh h LEU 77 N -0.15 0.22 -1.18 0.26 3.38 -0.89 -0.82 115.31 116.13 1pfh h LEU 77 Ca 0.11 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.84 1pfh h LEU 77 Cb 0.32 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1pfh h LEU 77 CO -0.28 0.45 0.56 0.58 0.09 0.00 0.00 178.44 179.84 1pfh h VAL 78 N -0.01 1.13 0.69 1.22 2.07 -0.78 0.15 116.25 120.72 1pfh h VAL 78 Ca 0.04 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1pfh h VAL 78 Cb 0.33 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1pfh h VAL 78 CO 0.00 0.19 -0.33 0.11 0.02 0.00 0.00 177.57 177.56 1pfh h LYS 79 N 1.05 -0.90 -0.85 1.57 1.57 -1.36 -3.08 116.57 114.58 1pfh h LYS 79 Ca 0.35 0.06 0.21 0.00 -1.87 0.00 0.00 60.65 59.40 1pfh h LYS 79 Cb 0.06 0.20 -0.13 0.00 0.08 0.00 0.00 32.23 32.44 1pfh h LYS 79 CO -0.11 -0.60 0.27 1.25 -0.57 0.00 0.00 179.45 179.70 1pfh h LEU 80 N -0.95 0.11 0.31 2.94 5.85 -0.57 0.18 115.31 123.18 1pfh h LEU 80 Ca -0.10 0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1pfh h LEU 80 Cb 0.71 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 1pfh h LEU 80 CO 0.16 -0.08 -0.43 -0.03 -0.34 0.00 0.00 178.44 177.71 1pfh h MET 81 N 0.28 -0.74 0.00 1.25 4.05 -0.80 -1.68 114.93 117.29 1pfh h MET 81 Ca 0.53 0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.95 1pfh h MET 81 Cb 1.01 0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.97 1pfh h MET 81 CO -0.58 -0.49 -0.23 0.00 0.23 0.00 0.00 176.91 175.83 1pfh h ALA 82 N -0.93 1.24 0.00 0.39 0.00 -1.07 -2.52 119.26 116.37 1pfh h ALA 82 Ca -0.04 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1pfh h ALA 82 Cb 0.70 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1pfh h ALA 82 CO -0.12 0.29 -0.39 0.93 0.00 0.00 0.00 179.25 179.96 1pfh h GLU 83 N 0.00 0.00 -7.30 0.00 5.08 -0.62 -3.45 114.58 108.29 1pfh h GLU 83 Ca -0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1pfh h GLU 83 Cb 0.55 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.86 1pfh h GLU 83 CO 0.03 0.39 0.37 -0.51 -1.00 0.00 0.00 179.01 178.29 1pfh s LEU 84 N -8.07 3.27 0.00 1.33 1.02 -0.64 -5.04 118.68 110.55 1pfh s LEU 84 Ca -0.03 1.32 0.00 0.00 0.02 0.00 0.00 54.13 55.44 1pfh s LEU 84 Cb 0.14 -4.33 0.00 0.00 0.02 0.00 0.00 46.19 42.02 1pfh s LEU 84 CO 0.72 -0.86 0.46 1.21 0.02 0.00 0.00 176.35 177.90