#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 3.48 -0.13 1.12 5.36 -0.68 -4.95 117.98 122.18 1pfh s PHE 2 Ca 0.00 0.67 0.01 0.00 -0.96 0.00 0.00 56.93 56.65 1pfh s PHE 2 Cb 0.00 -2.39 0.02 0.00 -0.34 0.00 0.00 43.02 40.31 1pfh s PHE 2 CO 0.00 0.22 -0.14 -0.65 -1.46 0.00 0.00 175.22 173.20 1pfh s GLN 3 N 0.49 2.17 -0.17 10.12 -0.21 -1.26 -1.45 119.66 129.35 1pfh s GLN 3 Ca 0.19 -0.52 0.01 0.00 0.02 0.00 0.00 55.36 55.05 1pfh s GLN 3 Cb -0.13 -1.96 0.02 0.00 1.00 0.00 0.00 33.01 31.94 1pfh s GLN 3 CO 0.05 -0.17 -0.16 -0.65 -2.12 0.00 0.00 175.29 172.24 1pfh s GLN 4 N 1.32 2.54 -0.88 2.91 -0.21 -0.28 -4.99 119.66 120.07 1pfh s GLN 4 Ca 0.01 -0.72 -0.15 0.00 0.02 0.00 0.00 55.36 54.52 1pfh s GLN 4 Cb -0.14 -2.34 0.20 0.00 1.00 0.00 0.00 33.01 31.73 1pfh s GLN 4 CO -0.07 -0.26 0.90 -2.00 -2.12 0.00 0.00 175.29 171.74 1pfh s GLU 5 N 1.39 3.65 -0.04 2.91 2.12 -1.26 -0.66 118.70 126.81 1pfh s GLU 5 Ca 0.04 -2.33 0.02 0.00 0.36 0.00 0.00 54.97 53.06 1pfh s GLU 5 Cb -0.13 -4.58 -0.03 0.00 0.26 0.00 0.00 34.13 29.64 1pfh s GLU 5 CO -0.11 -1.43 -0.09 0.14 -0.54 0.00 0.00 175.26 173.23 1pfh s VAL 6 N 0.77 3.50 -0.32 3.70 -7.23 -0.55 -4.86 120.40 115.41 1pfh s VAL 6 Ca 0.23 -0.65 -0.21 0.00 -1.81 0.00 0.00 61.98 59.54 1pfh s VAL 6 Cb -0.08 -2.44 -0.00 0.00 0.56 0.00 0.00 36.38 34.41 1pfh s VAL 6 CO -0.09 0.53 0.67 0.42 -0.31 0.00 0.00 175.10 176.32 1pfh s THR 7 N -0.85 4.89 -0.69 5.32 -4.23 -1.26 -0.24 115.64 118.58 1pfh s THR 7 Ca 0.14 0.83 -0.27 0.00 -1.18 0.00 0.00 61.69 61.20 1pfh s THR 7 Cb -0.11 -4.06 0.03 0.00 1.34 0.00 0.00 72.50 69.70 1pfh s THR 7 CO 0.03 -0.23 1.25 -0.63 -0.54 0.00 0.00 174.62 174.50 1pfh s ILE 8 N 2.72 3.83 -0.84 2.99 1.01 -0.15 -4.82 121.20 125.95 1pfh s ILE 8 Ca 0.26 0.55 0.23 0.00 0.00 0.00 0.00 60.65 61.70 1pfh s ILE 8 Cb -0.15 -4.85 -0.10 0.00 0.01 0.00 0.00 42.46 37.37 1pfh s ILE 8 CO 0.13 -1.69 1.13 0.35 0.00 0.00 0.00 174.94 174.87 1pfh n THR 9 N 6.46 0.07 -1.91 2.92 -2.24 -1.26 -1.05 114.28 117.27 1pfh n THR 9 Ca 0.05 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 1pfh n THR 9 Cb 0.49 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 69.11 1pfh n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pfh s ALA 10 N -3.08 3.76 0.18 6.98 0.00 -1.26 -4.70 121.76 123.64 1pfh s ALA 10 Ca 0.07 1.40 -0.16 0.00 0.00 0.00 0.00 51.96 53.27 1pfh s ALA 10 Cb 0.16 -3.62 0.13 0.00 0.00 0.00 0.00 23.12 19.79 1pfh s ALA 10 CO 0.78 -0.81 1.65 -1.35 0.00 0.00 0.00 175.76 176.04 1pfh h PRO 11 N 6.25 -0.02 0.00 0.00 0.11 -1.94 -2.40 132.00 134.00 1pfh h PRO 11 Ca -0.44 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.24 1pfh h PRO 11 Cb 1.21 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1pfh h PRO 11 CO 0.88 -0.01 -2.39 0.27 -0.21 0.00 0.00 178.00 176.53 1pfh n ASN 12 N -5.35 1.96 0.00 -2.05 0.23 -1.26 -3.92 115.26 104.87 1pfh n ASN 12 Ca 0.04 0.28 0.00 0.00 -0.53 0.00 0.00 54.58 54.37 1pfh n ASN 12 Cb 0.26 -0.78 0.00 0.00 -2.08 0.00 0.00 39.78 37.18 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 1.43 0.89 0.00 4.83 0.00 -1.24 -4.23 105.19 106.86 1pfh n GLY 13 Ca -0.51 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.28 0.99 4.77 -0.98 -4.88 117.00 116.62 1pfh n LEU 14 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 1pfh n LEU 14 Cb 0.00 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.18 1pfh n LEU 14 CO 0.00 -0.21 0.70 0.71 -1.33 0.00 0.00 177.39 177.26 1pfh h THR 16 N -0.31 0.20 0.09 -5.08 1.35 -1.91 0.11 112.91 107.35 1pfh h THR 16 Ca 0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.73 1pfh h THR 16 Cb 0.00 0.20 0.01 0.00 -1.73 0.00 0.00 68.15 66.63 1pfh h THR 16 CO 0.00 0.00 -0.60 0.03 -0.25 0.00 0.00 175.52 174.70 1pfh h ARG 17 N -0.01 0.19 -0.66 4.72 2.47 -1.97 -1.66 114.38 117.45 1pfh h ARG 17 Ca 0.37 -0.32 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 1pfh h ARG 17 Cb 0.58 0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.99 1pfh h ARG 17 CO -0.82 1.15 0.37 -1.35 0.56 0.00 0.00 179.97 179.88 1pfh h PRO 18 N -0.59 0.91 -0.82 0.04 0.11 -1.89 -2.15 132.00 127.62 1pfh h PRO 18 Ca -0.11 -0.09 0.13 0.00 0.11 0.00 0.00 66.00 66.03 1pfh h PRO 18 Cb 1.43 -0.19 -0.09 0.00 0.11 0.00 0.00 31.00 32.27 1pfh h PRO 18 CO 0.08 0.67 0.42 0.00 -0.21 0.00 0.00 178.00 178.96 1pfh h ALA 19 N 1.48 1.19 -0.58 -0.75 0.00 -0.82 -0.38 119.26 119.41 1pfh h ALA 19 Ca 0.24 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 1pfh h ALA 19 Cb 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1pfh h ALA 19 CO -0.04 -0.05 0.10 0.00 0.00 0.00 0.00 179.25 179.26 1pfh h ALA 20 N 1.51 1.07 -0.59 0.00 0.00 -0.67 -1.30 119.26 119.28 1pfh h ALA 20 Ca 0.43 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1pfh h ALA 20 Cb 0.54 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1pfh h ALA 20 CO -0.32 0.60 0.12 1.96 0.00 0.00 0.00 179.25 181.61 1pfh h GLN 21 N 0.89 0.96 -0.58 0.00 4.20 -0.90 -0.87 115.11 118.81 1pfh h GLN 21 Ca 0.18 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.66 1pfh h GLN 21 Cb 0.39 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1pfh h GLN 21 CO 0.01 0.90 0.38 0.35 -0.67 0.00 0.00 178.83 179.80 1pfh h PHE 22 N 0.87 0.72 -0.55 2.96 3.57 -0.89 -2.68 116.94 120.94 1pfh h PHE 22 Ca 0.18 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.71 1pfh h PHE 22 Cb 0.38 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1pfh h PHE 22 CO 0.03 0.44 0.36 0.28 -2.23 0.00 0.00 178.31 177.19 1pfh h VAL 23 N 0.77 1.12 -0.51 1.41 2.07 -1.00 -0.02 116.25 120.09 1pfh h VAL 23 Ca 0.22 -0.25 0.10 0.00 0.82 0.00 0.00 66.70 67.59 1pfh h VAL 23 Cb -0.07 0.33 -0.10 0.00 -1.52 0.00 0.00 31.29 29.93 1pfh h VAL 23 CO -0.06 0.13 -0.19 0.50 0.02 0.00 0.00 177.57 177.97 1pfh h LYS 24 N 0.72 -0.07 0.42 1.57 3.64 -0.89 0.68 116.57 122.64 1pfh h LYS 24 Ca 0.21 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1pfh h LYS 24 Cb -0.05 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1pfh h LYS 24 CO -0.06 -0.05 -0.20 1.49 -2.27 0.00 0.00 179.45 178.36 1pfh h GLU 25 N -0.07 -0.54 -0.76 1.90 4.57 -1.19 -3.26 114.58 115.23 1pfh h GLU 25 Ca 0.24 0.04 0.14 0.00 -1.18 0.00 0.00 59.36 58.60 1pfh h GLU 25 Cb 0.45 0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 29.11 1pfh h GLU 25 CO -0.56 -0.24 0.51 0.00 -1.18 0.00 0.00 179.01 177.54 1pfh h ALA 26 N -0.43 2.05 -0.26 2.92 0.00 -0.80 0.36 119.26 123.11 1pfh h ALA 26 Ca -0.06 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1pfh h ALA 26 Cb 0.55 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1pfh h ALA 26 CO 0.09 -0.25 0.22 0.87 0.00 0.00 0.00 179.25 180.18 1pfh h LYS 27 N 0.47 0.00 0.00 0.00 1.57 -0.90 -2.71 116.57 115.00 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 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1pfh h LYS 27 CO -0.13 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.16 1pfh n GLY 28 N -1.53 -0.94 3.87 3.86 0.00 0.12 -4.81 105.19 105.76 1pfh n GLY 28 Ca 0.03 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 3.34 0.15 1.61 0.08 -1.02 -5.04 117.98 115.09 1pfh s PHE 29 Ca 0.31 0.08 -0.15 0.00 0.12 0.00 0.00 56.93 57.30 1pfh s PHE 29 Cb 0.14 -1.62 0.02 0.00 -0.57 0.00 0.00 43.02 41.00 1pfh s PHE 29 CO 0.24 0.53 1.70 1.79 -0.10 0.00 0.00 175.22 179.38 1pfh h THR 30 N 1.93 1.20 -4.13 0.64 1.35 -1.88 -3.45 112.91 108.57 1pfh h THR 30 Ca -0.48 -0.62 -0.53 0.00 -0.55 0.00 0.00 66.41 64.23 1pfh h THR 30 Cb 1.19 0.75 0.13 0.00 -1.73 0.00 0.00 68.15 68.49 1pfh h THR 30 CO 0.67 0.23 0.45 -0.94 -0.25 0.00 0.00 175.52 175.68 1pfh s SER 31 N -5.91 4.79 -0.41 5.36 1.04 -1.26 -5.01 113.70 112.30 1pfh s SER 31 Ca -0.13 2.38 -0.16 0.00 0.48 0.00 0.00 55.95 58.52 1pfh s SER 31 Cb 0.11 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.65 1pfh s SER 31 CO 0.76 -1.86 0.38 -0.70 0.98 0.00 0.00 173.24 172.80 1pfh s GLU 32 N -3.58 3.11 -0.25 4.02 2.12 -1.26 -4.95 118.70 117.90 1pfh s GLU 32 Ca 0.76 -0.81 -0.28 0.00 0.36 0.00 0.00 54.97 55.01 1pfh s GLU 32 Cb -0.30 -3.95 0.01 0.00 0.26 0.00 0.00 34.13 30.14 1pfh s GLU 32 CO 0.38 -0.78 1.00 0.42 -0.54 0.00 0.00 175.26 175.74 1pfh s ILE 33 N 1.97 4.68 -0.32 -3.70 -1.09 -1.26 -4.25 121.20 117.23 1pfh s ILE 33 Ca 0.10 1.85 -0.09 0.00 -2.23 0.00 0.00 60.65 60.28 1pfh s ILE 33 Cb -0.18 -4.29 0.01 0.00 -1.58 0.00 0.00 42.46 36.42 1pfh s ILE 33 CO 0.12 -0.23 0.14 0.42 -1.23 0.00 0.00 174.94 174.16 1pfh s THR 34 N 3.22 4.32 -0.66 2.92 -4.23 0.20 -0.04 115.64 121.37 1pfh s THR 34 Ca 0.42 -0.68 -0.18 0.00 -1.18 0.00 0.00 61.69 60.07 1pfh s THR 34 Cb -0.14 -3.29 0.12 0.00 1.34 0.00 0.00 72.50 70.53 1pfh s THR 34 CO 0.08 -0.03 0.76 -0.69 -0.54 0.00 0.00 174.62 174.21 1pfh s VAL 35 N 1.54 4.90 -0.24 2.29 1.01 0.38 -0.64 120.40 129.63 1pfh s VAL 35 Ca 0.03 -1.23 -0.15 0.00 0.00 0.00 0.00 61.98 60.63 1pfh s VAL 35 Cb -0.18 -4.52 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 1pfh s VAL 35 CO 0.05 -1.16 0.35 -0.89 0.00 0.00 0.00 175.10 173.45 1pfh s THR 36 N 2.40 5.21 -0.36 3.92 2.01 0.05 -0.89 115.64 127.98 1pfh s THR 36 Ca 0.15 0.56 0.01 0.00 0.31 0.00 0.00 61.69 62.71 1pfh s THR 36 Cb -0.20 -3.68 0.11 0.00 0.01 0.00 0.00 72.50 68.74 1pfh s THR 36 CO 0.03 0.21 0.14 -0.55 -0.69 0.00 0.00 174.62 173.76 1pfh s SER 37 N 1.38 4.07 0.00 3.53 0.15 0.15 -1.17 113.70 121.81 1pfh s SER 37 Ca 0.15 -2.08 0.00 0.00 0.70 0.00 0.00 55.95 54.72 1pfh s SER 37 Cb -0.15 -1.09 0.00 0.00 -1.71 0.00 0.00 66.02 63.07 1pfh s SER 37 CO 0.09 -0.36 0.00 -0.46 1.20 0.00 0.00 173.24 173.71 1pfh n ASN 38 N 4.28 -4.54 0.00 5.45 0.23 -1.26 -3.15 115.26 116.27 1pfh n ASN 38 Ca 0.03 0.29 0.00 0.00 -0.53 0.00 0.00 54.58 54.36 1pfh n ASN 38 Cb 0.39 -1.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.01 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 1.07 2.04 3.74 4.83 0.00 -1.26 -4.97 105.19 110.64 1pfh n GLY 39 Ca 0.00 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 4.46 -0.17 1.61 3.01 -1.19 -5.02 119.74 122.44 1pfh s LYS 40 Ca 0.00 1.95 0.01 0.00 -1.01 0.00 0.00 55.97 56.91 1pfh s LYS 40 Cb 0.00 -3.21 0.03 0.00 -1.01 0.00 0.00 37.83 33.64 1pfh s LYS 40 CO 0.00 -0.12 -0.14 0.45 0.51 0.00 0.00 175.35 176.05 1pfh s SER 41 N 0.08 3.05 -0.31 2.83 0.15 -1.26 -0.68 113.70 117.56 1pfh s SER 41 Ca 0.53 -0.67 -0.04 0.00 0.70 0.00 0.00 55.95 56.46 1pfh s SER 41 Cb -0.34 -1.28 0.04 0.00 -1.71 0.00 0.00 66.02 62.73 1pfh s SER 41 CO 0.38 -0.07 0.05 0.00 1.20 0.00 0.00 173.24 174.80 1pfh s ALA 42 N 1.40 2.93 0.09 5.45 0.00 -0.07 -4.95 121.76 126.62 1pfh s ALA 42 Ca 0.03 -1.67 -0.31 0.00 0.00 0.00 0.00 51.96 50.01 1pfh s ALA 42 Cb -0.14 -2.08 -0.09 0.00 0.00 0.00 0.00 23.12 20.81 1pfh s ALA 42 CO -0.10 -1.19 1.79 0.45 0.00 0.00 0.00 175.76 176.71 1pfh s SER 43 N 1.36 6.49 0.00 0.00 0.15 -1.26 -0.47 113.70 119.96 1pfh s SER 43 Ca -0.02 2.65 0.12 0.00 0.70 0.00 0.00 55.95 59.40 1pfh s SER 43 Cb -0.19 -2.56 0.56 0.00 -1.71 0.00 0.00 66.02 62.12 1pfh s SER 43 CO 0.01 -0.97 1.38 0.00 1.20 0.00 0.00 173.24 174.85 1pfh n ALA 44 N 5.93 2.53 0.92 5.45 0.00 0.95 -2.09 120.51 134.19 1pfh n ALA 44 Ca 0.17 -0.24 0.11 0.00 0.00 0.00 0.00 53.44 53.49 1pfh n ALA 44 Cb 0.39 -1.11 0.06 0.00 0.00 0.00 0.00 19.45 18.79 1pfh n ALA 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pfh n LYS 45 N -0.28 0.05 -3.80 0.00 5.02 -1.26 -3.90 118.16 113.99 1pfh n LYS 45 Ca 0.09 -0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.02 1pfh n LYS 45 Cb 0.13 -1.52 -0.13 0.00 -0.02 0.00 0.00 35.03 33.50 1pfh n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1pfh s SER 46 N -3.16 4.96 0.16 4.39 0.15 -0.89 -5.00 113.70 114.31 1pfh s SER 46 Ca 0.08 -0.73 -0.22 0.00 0.70 0.00 0.00 55.95 55.78 1pfh s SER 46 Cb 0.16 -1.84 0.05 0.00 -1.71 0.00 0.00 66.02 62.69 1pfh s SER 46 CO 0.79 -0.18 1.62 0.25 1.20 0.00 0.00 173.24 176.92 1pfh h LEU 47 N 8.19 -0.90 -0.87 3.45 5.85 -1.88 -2.50 115.31 126.66 1pfh h LEU 47 Ca -0.32 0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 1pfh h LEU 47 Cb 1.12 0.43 -0.03 0.00 0.37 0.00 0.00 40.66 42.55 1pfh h LEU 47 CO 0.60 -0.30 0.12 -0.26 -0.34 0.00 0.00 178.44 178.26 1pfh h PHE 48 N -0.24 1.01 -0.04 1.25 0.04 -1.95 -2.92 116.94 114.10 1pfh h PHE 48 Ca 0.16 -0.12 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 1pfh h PHE 48 Cb 0.50 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.36 1pfh h PHE 48 CO -0.46 0.85 0.02 0.87 -0.60 0.00 0.00 178.31 178.99 1pfh h LYS 49 N 0.91 0.05 -0.80 1.51 1.57 -1.69 -0.74 116.57 117.39 1pfh h LYS 49 Ca 0.19 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 1pfh h LYS 49 Cb 0.37 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 1pfh h LYS 49 CO 0.00 0.07 0.40 1.25 -0.57 0.00 0.00 179.45 180.60 1pfh h LEU 50 N 0.02 1.03 -1.03 2.94 5.85 -1.51 -3.15 115.31 119.46 1pfh h LEU 50 Ca 0.01 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 1pfh h LEU 50 Cb 0.03 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1pfh h LEU 50 CO -0.00 0.86 -0.32 1.56 -0.34 0.00 0.00 178.44 180.20 1pfh h GLN 51 N 1.14 0.30 -2.31 1.25 4.20 -1.21 -3.14 115.11 115.34 1pfh h GLN 51 Ca 0.28 -0.12 -0.64 0.00 0.06 0.00 0.00 58.65 58.23 1pfh h GLN 51 Cb 0.10 -0.01 -0.39 0.00 0.30 0.00 0.00 27.48 27.47 1pfh h GLN 51 CO -0.04 0.59 -0.33 -2.37 -0.67 0.00 0.00 178.83 176.01 1pfh n THR 52 N -4.10 3.09 -0.02 -0.54 5.66 -0.34 -4.53 114.28 113.50 1pfh n THR 52 Ca -0.01 -5.43 -0.05 0.00 -3.05 0.00 0.00 64.05 55.51 1pfh n THR 52 Cb 0.42 -1.95 -0.02 0.00 -1.55 0.00 0.00 70.33 67.23 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 0.68 0.46 0.00 1.09 7.94 -1.19 -4.88 117.00 121.10 1pfh n LEU 53 Ca 0.30 0.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.28 1pfh n LEU 53 Cb 0.39 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.16 1pfh n LEU 53 CO 0.45 0.04 0.00 0.61 -1.11 0.00 0.00 177.39 177.38 1pfh n GLY 54 N 2.70 0.76 3.18 -3.96 0.00 -1.26 -5.02 105.19 101.59 1pfh n GLY 54 Ca -0.10 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 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 5.80 0.29 0.99 1.43 -1.26 -4.93 118.68 120.99 1pfh s LEU 55 Ca 0.00 -3.64 0.01 0.00 -1.03 0.00 0.00 54.13 49.47 1pfh s LEU 55 Cb 0.00 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1pfh s LEU 55 CO 0.00 -0.23 0.29 0.28 0.23 0.00 0.00 176.35 176.92 1pfh s THR 56 N -1.25 0.00 0.02 5.49 -1.32 -1.26 -2.33 115.64 114.99 1pfh s THR 56 Ca 0.28 -1.87 -0.36 0.00 -1.21 0.00 0.00 61.69 58.52 1pfh s THR 56 Cb -0.09 -2.51 -0.15 0.00 -1.51 0.00 0.00 72.50 68.25 1pfh s THR 56 CO -0.11 0.00 1.53 1.67 -2.21 0.00 0.00 174.62 175.50 1pfh n GLN 57 N -0.48 1.50 0.00 7.08 7.27 -0.90 -1.89 117.38 129.95 1pfh n GLN 57 Ca 0.04 0.54 0.00 0.00 0.07 0.00 0.00 57.00 57.65 1pfh n GLN 57 Cb 0.63 -2.24 0.00 0.00 2.41 0.00 0.00 30.24 31.04 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 3.23 2.95 3.62 1.69 0.00 -0.21 -4.98 105.19 111.49 1pfh n GLY 58 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.57 3.47 -0.56 2.61 -4.23 -0.79 -4.87 115.64 108.70 1pfh s THR 59 Ca 0.00 0.51 -0.24 0.00 -1.18 0.00 0.00 61.69 60.78 1pfh s THR 59 Cb 0.00 -3.53 0.04 0.00 1.34 0.00 0.00 72.50 70.35 1pfh s THR 59 CO 0.00 -0.26 0.96 -0.69 -0.54 0.00 0.00 174.62 174.09 1pfh s VAL 60 N 6.08 4.36 -0.47 2.29 1.01 -1.26 -0.98 120.40 131.43 1pfh s VAL 60 Ca 0.80 0.28 -0.16 0.00 0.00 0.00 0.00 61.98 62.90 1pfh s VAL 60 Cb -0.27 -4.56 0.07 0.00 0.00 0.00 0.00 36.38 31.62 1pfh s VAL 60 CO 0.33 -1.15 0.40 0.68 0.00 0.00 0.00 175.10 175.36 1pfh s VAL 61 N 4.02 5.21 -0.76 2.92 -7.23 0.67 -4.48 120.40 120.75 1pfh s VAL 61 Ca 0.31 -0.97 -0.26 0.00 -1.81 0.00 0.00 61.98 59.25 1pfh s VAL 61 Cb -0.12 -4.12 -0.02 0.00 0.56 0.00 0.00 36.38 32.68 1pfh s VAL 61 CO 0.19 -0.57 1.78 -0.89 -0.31 0.00 0.00 175.10 175.31 1pfh s THR 62 N 1.72 3.48 -0.80 5.32 2.01 -0.32 -1.48 115.64 125.58 1pfh s THR 62 Ca 0.05 -0.05 -0.25 0.00 0.31 0.00 0.00 61.69 61.75 1pfh s THR 62 Cb -0.23 -4.18 0.05 0.00 0.01 0.00 0.00 72.50 68.15 1pfh s THR 62 CO 0.07 -1.13 1.25 -0.63 -0.69 0.00 0.00 174.62 173.49 1pfh s ILE 63 N 8.65 3.95 -0.22 1.82 1.01 0.17 -0.77 121.20 135.81 1pfh s ILE 63 Ca 0.62 -0.13 -0.05 0.00 0.00 0.00 0.00 60.65 61.10 1pfh s ILE 63 Cb -0.09 -4.90 -0.02 0.00 0.01 0.00 0.00 42.46 37.47 1pfh s ILE 63 CO 0.10 -1.78 -0.01 -0.44 0.00 0.00 0.00 174.94 172.81 1pfh s SER 64 N 4.00 4.58 -0.01 3.58 0.01 0.18 -1.12 113.70 124.92 1pfh s SER 64 Ca 0.35 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 57.32 1pfh s SER 64 Cb -0.08 -1.79 -0.00 0.00 0.21 0.00 0.00 66.02 64.36 1pfh s SER 64 CO 0.07 0.01 -0.07 0.00 0.41 0.00 0.00 173.24 173.65 1pfh s ALA 65 N 1.34 0.66 0.00 1.44 0.00 -0.53 -0.63 121.76 124.05 1pfh s ALA 65 Ca 0.04 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 51.73 1pfh s ALA 65 Cb -0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 1pfh s ALA 65 CO -0.00 0.14 -0.09 -2.00 0.00 0.00 0.00 175.76 173.81 1pfh s GLU 66 N -0.02 0.66 0.00 0.00 2.12 -1.26 -1.68 118.70 118.52 1pfh s GLU 66 Ca 0.01 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 54.95 1pfh s GLU 66 Cb -0.05 -0.62 0.00 0.00 0.26 0.00 0.00 34.13 33.73 1pfh s GLU 66 CO -0.00 0.16 0.00 0.41 -0.54 0.00 0.00 175.26 175.29 1pfh n GLY 67 N 2.62 0.51 0.48 -1.50 0.00 -1.26 -4.16 105.19 101.88 1pfh n GLY 67 Ca -0.15 -1.85 -0.19 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.17 -1.39 1.61 5.08 -1.98 -3.31 114.58 113.42 1pfh h GLU 68 Ca 0.00 0.08 -0.39 0.00 -1.00 0.00 0.00 59.36 58.05 1pfh h GLU 68 Cb 0.00 0.27 -0.17 0.00 0.50 0.00 0.00 28.75 29.35 1pfh h GLU 68 CO 0.00 -0.78 0.50 -0.40 -1.00 0.00 0.00 179.01 177.33 1pfh n ASP 69 N -5.41 6.49 0.05 1.42 5.68 -1.26 -4.72 116.55 118.80 1pfh n ASP 69 Ca -0.15 -3.19 -0.12 0.00 -0.50 0.00 0.00 54.79 50.83 1pfh n ASP 69 Cb 0.48 -1.02 -0.05 0.00 -1.14 0.00 0.00 41.12 39.39 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 1.51 -0.47 -0.26 0.11 4.11 -1.83 0.33 114.58 118.09 1pfh h GLU 70 Ca 0.36 0.03 -0.05 0.00 0.07 0.00 0.00 59.36 59.77 1pfh h GLU 70 Cb 0.98 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1pfh h GLU 70 CO 0.91 -0.31 -0.04 -0.56 0.07 0.00 0.00 179.01 179.08 1pfh h GLN 71 N -0.49 0.48 0.01 1.06 -0.00 -1.86 -3.00 115.11 111.31 1pfh h GLN 71 Ca 0.06 -0.17 0.00 0.00 -0.00 0.00 0.00 58.65 58.54 1pfh h GLN 71 Cb 0.58 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.48 28.03 1pfh h GLN 71 CO -0.29 0.68 -0.02 0.87 -0.00 0.00 0.00 178.83 180.07 1pfh h LYS 72 N 0.24 -0.03 0.22 0.06 1.57 -1.73 0.69 116.57 117.57 1pfh h LYS 72 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1pfh h LYS 72 Cb 0.49 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1pfh h LYS 72 CO 0.02 -0.02 -0.23 0.00 -0.57 0.00 0.00 179.45 178.65 1pfh h ALA 73 N 0.96 -0.45 -0.13 3.86 0.00 -1.02 -0.47 119.26 122.00 1pfh h ALA 73 Ca 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pfh h ALA 73 Cb 0.04 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1pfh h ALA 73 CO -0.02 -0.79 0.06 0.28 0.00 0.00 0.00 179.25 178.79 1pfh h VAL 74 N -0.48 1.12 -0.03 0.00 2.07 -1.34 -0.68 116.25 116.91 1pfh h VAL 74 Ca 0.00 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1pfh h VAL 74 Cb 0.45 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 1pfh h VAL 74 CO -0.06 0.11 -0.23 -0.08 0.02 0.00 0.00 177.57 177.33 1pfh h GLU 75 N 0.08 -0.33 0.01 1.57 4.81 -0.72 0.15 114.58 120.15 1pfh h GLU 75 Ca 0.04 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1pfh h GLU 75 Cb 0.12 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1pfh h GLU 75 CO -0.01 -0.22 -0.15 1.25 -0.73 0.00 0.00 179.01 179.15 1pfh h HIS 76 N -0.34 -0.39 -0.27 0.92 2.76 -0.88 -1.95 115.15 115.00 1pfh h HIS 76 Ca 0.07 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.17 1pfh h HIS 76 Cb 0.44 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.56 1pfh h HIS 76 CO -0.29 -0.22 -0.19 -0.07 -1.30 0.00 0.00 177.93 175.86 1pfh h LEU 77 N -0.26 0.48 0.14 0.26 3.38 -0.70 -0.01 115.31 118.60 1pfh h LEU 77 Ca 0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1pfh h LEU 77 Cb 0.32 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1pfh h LEU 77 CO -0.14 0.68 -0.07 0.58 0.09 0.00 0.00 178.44 179.58 1pfh h VAL 78 N 0.44 0.89 -0.74 1.22 2.07 -0.57 -2.00 116.25 117.56 1pfh h VAL 78 Ca 0.07 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1pfh h VAL 78 Cb 0.58 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 1pfh h VAL 78 CO 0.04 0.02 0.46 0.11 0.02 0.00 0.00 177.57 178.23 1pfh h LYS 79 N -0.23 0.86 0.28 1.57 1.57 -0.90 -0.13 116.57 119.60 1pfh h LYS 79 Ca -0.02 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1pfh h LYS 79 Cb 0.18 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1pfh h LYS 79 CO 0.03 0.57 -0.37 1.25 -0.57 0.00 0.00 179.45 180.36 1pfh h LEU 80 N 0.89 -1.04 -1.08 2.94 6.46 -0.96 -1.87 115.31 120.65 1pfh h LEU 80 Ca 0.30 0.10 0.06 0.00 -0.12 0.00 0.00 57.88 58.22 1pfh h LEU 80 Cb 0.05 0.37 -0.06 0.00 -0.73 0.00 0.00 40.66 40.28 1pfh h LEU 80 CO -0.12 -0.49 0.62 -0.03 -0.62 0.00 0.00 178.44 177.79 1pfh h MET 81 N -0.71 1.10 0.00 1.25 4.05 -1.08 -2.86 114.93 116.68 1pfh h MET 81 Ca -0.01 -0.07 -0.07 0.00 -0.28 0.00 0.00 59.70 59.28 1pfh h MET 81 Cb 0.67 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 1pfh h MET 81 CO -0.12 0.72 -0.33 0.00 0.23 0.00 0.00 176.91 177.42 1pfh h ALA 82 N 1.47 1.42 0.00 0.39 0.00 -0.41 -2.99 119.26 119.15 1pfh h ALA 82 Ca 0.40 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1pfh h ALA 82 Cb 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1pfh h ALA 82 CO -0.15 0.41 -1.06 0.93 0.00 0.00 0.00 179.25 179.39 1pfh h GLU 83 N 0.00 0.00 -6.84 0.00 5.08 -1.15 -3.47 114.58 108.20 1pfh h GLU 83 Ca -0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 1pfh h GLU 83 Cb 0.59 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.86 1pfh h GLU 83 CO 0.04 0.34 0.46 -1.17 -1.00 0.00 0.00 179.01 177.68 1pfh s LEU 84 N -5.99 4.46 0.00 1.33 2.96 -1.11 -5.13 118.68 115.20 1pfh s LEU 84 Ca -0.00 2.22 0.03 0.00 -0.22 0.00 0.00 54.13 56.16 1pfh s LEU 84 Cb 0.08 -3.75 0.03 0.00 0.50 0.00 0.00 46.19 43.05 1pfh s LEU 84 CO 0.79 -0.22 0.61 1.21 -1.32 0.00 0.00 176.35 177.41