#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 3.71 -0.14 1.12 5.36 -0.21 -4.97 117.98 122.86 1pfh s PHE 2 Ca 0.00 1.79 -0.07 0.00 -0.96 0.00 0.00 56.93 57.69 1pfh s PHE 2 Cb 0.00 -3.07 0.06 0.00 -0.34 0.00 0.00 43.02 39.66 1pfh s PHE 2 CO 0.00 -0.03 0.31 -1.14 -1.46 0.00 0.00 175.22 172.91 1pfh s GLN 3 N -1.64 0.26 -0.15 10.12 0.74 -1.25 -1.18 119.66 126.56 1pfh s GLN 3 Ca 0.46 0.68 0.00 0.00 0.05 0.00 0.00 55.36 56.55 1pfh s GLN 3 Cb -0.25 -0.05 0.03 0.00 1.10 0.00 0.00 33.01 33.84 1pfh s GLN 3 CO 0.32 -0.19 -0.10 -0.65 -0.55 0.00 0.00 175.29 174.13 1pfh s GLN 4 N 1.57 1.85 -0.76 1.67 -0.21 -0.99 -4.99 119.66 117.80 1pfh s GLN 4 Ca -0.07 -0.54 -0.24 0.00 0.02 0.00 0.00 55.36 54.53 1pfh s GLN 4 Cb -0.10 -2.02 0.06 0.00 1.00 0.00 0.00 33.01 31.94 1pfh s GLN 4 CO -0.10 -0.33 1.16 -2.00 -2.12 0.00 0.00 175.29 171.90 1pfh s GLU 5 N 1.56 3.25 0.00 2.91 2.12 -1.26 -1.12 118.70 126.15 1pfh s GLU 5 Ca 0.03 -0.73 0.06 0.00 0.36 0.00 0.00 54.97 54.69 1pfh s GLU 5 Cb -0.14 -4.42 -0.02 0.00 0.26 0.00 0.00 34.13 29.82 1pfh s GLU 5 CO -0.09 -1.99 -0.19 0.14 -0.54 0.00 0.00 175.26 172.59 1pfh s VAL 6 N 4.70 1.47 -0.10 3.70 -7.23 -1.11 -4.98 120.40 116.85 1pfh s VAL 6 Ca 0.31 -0.89 -0.02 0.00 -1.81 0.00 0.00 61.98 59.57 1pfh s VAL 6 Cb -0.10 -1.24 -0.03 0.00 0.56 0.00 0.00 36.38 35.56 1pfh s VAL 6 CO 0.08 0.34 -0.01 0.42 -0.31 0.00 0.00 175.10 175.61 1pfh s THR 7 N -0.54 4.15 -0.12 5.32 -4.23 -1.26 0.23 115.64 119.19 1pfh s THR 7 Ca 0.07 -0.30 -0.29 0.00 -1.18 0.00 0.00 61.69 59.98 1pfh s THR 7 Cb -0.07 -2.76 -0.02 0.00 1.34 0.00 0.00 72.50 70.99 1pfh s THR 7 CO -0.00 0.58 1.17 -0.63 -0.54 0.00 0.00 174.62 175.20 1pfh s ILE 8 N -0.61 4.41 -0.17 2.99 1.01 -0.61 -4.94 121.20 123.28 1pfh s ILE 8 Ca 0.10 1.71 -0.11 0.00 0.00 0.00 0.00 60.65 62.35 1pfh s ILE 8 Cb -0.12 -4.10 -0.23 0.00 0.01 0.00 0.00 42.46 38.03 1pfh s ILE 8 CO 0.02 -0.07 0.23 0.35 0.00 0.00 0.00 174.94 175.47 1pfh n THR 9 N 4.95 1.67 -0.64 2.92 -2.24 -1.26 -0.93 114.28 118.75 1pfh n THR 9 Ca 0.12 -0.45 -0.24 0.00 -2.27 0.00 0.00 64.05 61.20 1pfh n THR 9 Cb 0.46 -1.81 -0.03 0.00 -2.10 0.00 0.00 70.33 66.86 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 -3.21 -1.87 0.08 6.98 0.00 -1.26 -4.73 120.51 116.50 1pfh n ALA 10 Ca -0.34 0.24 -0.12 0.00 0.00 0.00 0.00 53.44 53.22 1pfh n ALA 10 Cb 0.93 -0.75 -0.05 0.00 0.00 0.00 0.00 19.45 19.58 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 1.01 -0.40 0.09 0.00 0.11 -1.96 -3.01 132.00 127.84 1pfh h PRO 11 Ca -0.19 0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.75 1pfh h PRO 11 Cb 0.63 0.09 0.02 0.00 0.11 0.00 0.00 31.00 31.85 1pfh h PRO 11 CO 0.27 -0.27 -0.83 -2.95 -0.21 0.00 0.00 178.00 174.02 1pfh h ASN 12 N -0.42 0.57 0.00 -2.05 7.08 -1.96 -3.36 115.58 115.44 1pfh h ASN 12 Ca 0.05 -0.86 0.00 0.00 -3.08 0.00 0.00 56.30 52.41 1pfh h ASN 12 Cb 0.48 -0.18 0.00 0.00 -2.08 0.00 0.00 38.32 36.54 1pfh h ASN 12 CO -0.20 1.38 0.00 0.61 -2.08 0.00 0.00 177.43 177.13 1pfh n GLY 13 N 1.41 -0.51 0.00 9.14 0.00 -1.14 -4.23 105.19 109.86 1pfh n GLY 13 Ca -0.13 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.29 0.99 4.77 -0.06 -4.95 117.00 117.46 1pfh n LEU 14 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 1pfh n LEU 14 Cb 0.00 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.34 1pfh n LEU 14 CO 0.00 0.00 1.06 0.71 -1.33 0.00 0.00 177.39 177.83 1pfh h THR 16 N 0.00 0.60 0.11 -5.08 1.35 -1.91 0.26 112.91 108.25 1pfh h THR 16 Ca 0.00 -0.17 -0.26 0.00 -0.55 0.00 0.00 66.41 65.43 1pfh h THR 16 Cb 0.00 0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 66.49 1pfh h THR 16 CO 0.00 0.09 -1.32 0.03 -0.25 0.00 0.00 175.52 174.07 1pfh h ARG 17 N 0.49 0.24 -0.61 4.72 2.47 -1.98 -1.12 114.38 118.57 1pfh h ARG 17 Ca 0.49 -0.41 -0.04 0.00 -1.26 0.00 0.00 59.98 58.77 1pfh h ARG 17 Cb 0.82 0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 29.26 1pfh h ARG 17 CO -0.44 1.20 0.24 -1.35 0.56 0.00 0.00 179.97 180.17 1pfh h PRO 18 N -0.34 0.90 -0.93 0.04 0.11 -1.91 -2.48 132.00 127.38 1pfh h PRO 18 Ca -0.28 -0.15 0.10 0.00 0.11 0.00 0.00 66.00 65.78 1pfh h PRO 18 Cb 1.72 -0.15 -0.08 0.00 0.11 0.00 0.00 31.00 32.60 1pfh h PRO 18 CO 0.06 0.74 0.57 0.00 -0.21 0.00 0.00 178.00 179.16 1pfh h ALA 19 N 1.38 1.36 -0.74 -0.75 0.00 -0.57 -1.33 119.26 118.62 1pfh h ALA 19 Ca 0.21 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1pfh h ALA 19 Cb 0.18 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1pfh h ALA 19 CO -0.02 0.21 0.49 0.00 0.00 0.00 0.00 179.25 179.93 1pfh h ALA 20 N 1.49 1.56 -0.01 0.00 0.00 -0.73 0.17 119.26 121.74 1pfh h ALA 20 Ca 0.45 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1pfh h ALA 20 Cb 0.39 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1pfh h ALA 20 CO -0.24 0.37 -0.00 1.96 0.00 0.00 0.00 179.25 181.34 1pfh h GLN 21 N 0.91 0.02 -0.74 0.00 4.20 -1.13 -1.83 115.11 116.53 1pfh h GLN 21 Ca 0.29 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 59.08 1pfh h GLN 21 Cb 0.04 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.74 1pfh h GLN 21 CO -0.08 0.35 0.39 0.35 -0.67 0.00 0.00 178.83 179.17 1pfh h PHE 22 N -0.30 0.71 0.27 2.96 3.04 -0.84 -0.08 116.94 122.70 1pfh h PHE 22 Ca 0.00 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 1pfh h PHE 22 Cb 0.34 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.61 1pfh h PHE 22 CO 0.04 0.27 -0.43 0.28 -2.02 0.00 0.00 178.31 176.46 1pfh h VAL 23 N 0.67 0.00 -0.71 1.41 2.07 -0.64 0.15 116.25 119.20 1pfh h VAL 23 Ca 0.36 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.03 1pfh h VAL 23 Cb 0.35 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.01 1pfh h VAL 23 CO -0.25 0.00 0.13 0.50 0.02 0.00 0.00 177.57 177.97 1pfh h LYS 24 N -0.74 0.22 0.42 1.57 3.11 -0.59 0.14 116.57 120.70 1pfh h LYS 24 Ca -0.03 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.78 1pfh h LYS 24 Cb 0.68 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.86 1pfh h LYS 24 CO -0.14 0.15 -0.20 1.49 -2.81 0.00 0.00 179.45 177.94 1pfh h GLU 25 N 0.23 -0.54 -0.02 1.90 4.57 -0.87 -3.21 114.58 116.64 1pfh h GLU 25 Ca 0.39 0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.59 1pfh h GLU 25 Cb 0.66 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1pfh h GLU 25 CO -0.52 -0.25 -0.07 0.00 -1.18 0.00 0.00 179.01 177.00 1pfh h ALA 26 N -0.39 1.86 -0.49 2.92 0.00 -0.45 -0.13 119.26 122.57 1pfh h ALA 26 Ca -0.06 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 54.91 1pfh h ALA 26 Cb 0.55 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1pfh h ALA 26 CO 0.09 0.11 0.35 0.87 0.00 0.00 0.00 179.25 180.67 1pfh h LYS 27 N 0.02 0.08 0.00 0.00 1.57 -0.73 -2.44 116.57 115.08 1pfh h LYS 27 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pfh h LYS 27 Cb 0.14 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1pfh h LYS 27 CO 0.01 0.06 0.00 0.41 -0.57 0.00 0.00 179.45 179.35 1pfh n GLY 28 N -1.61 -0.94 3.86 3.86 0.00 -0.06 -4.77 105.19 105.54 1pfh n GLY 28 Ca 0.09 -0.09 -0.36 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 -2.59 3.63 0.23 1.61 0.08 -0.92 -5.02 117.98 115.01 1pfh s PHE 29 Ca 0.18 0.75 -0.06 0.00 0.12 0.00 0.00 56.93 57.92 1pfh s PHE 29 Cb 0.13 -2.11 0.22 0.00 -0.57 0.00 0.00 43.02 40.69 1pfh s PHE 29 CO 0.30 0.62 1.77 1.79 -0.10 0.00 0.00 175.22 179.61 1pfh h THR 30 N 3.37 1.25 -3.95 0.64 1.35 -1.87 -3.43 112.91 110.27 1pfh h THR 30 Ca -0.51 -0.88 -0.54 0.00 -0.55 0.00 0.00 66.41 63.93 1pfh h THR 30 Cb 1.21 0.50 0.10 0.00 -1.73 0.00 0.00 68.15 68.23 1pfh h THR 30 CO 0.63 0.34 0.71 -0.94 -0.25 0.00 0.00 175.52 176.01 1pfh s SER 31 N -6.47 6.21 -0.45 5.36 1.04 -1.26 -4.96 113.70 113.17 1pfh s SER 31 Ca -0.11 2.90 -0.19 0.00 0.48 0.00 0.00 55.95 59.03 1pfh s SER 31 Cb 0.15 -2.66 0.03 0.00 0.10 0.00 0.00 66.02 63.65 1pfh s SER 31 CO 0.83 -0.94 0.57 -0.70 0.98 0.00 0.00 173.24 173.97 1pfh s GLU 32 N -2.22 3.17 -0.48 4.02 2.12 -1.26 -4.95 118.70 119.10 1pfh s GLU 32 Ca 0.56 -0.67 -0.28 0.00 0.36 0.00 0.00 54.97 54.94 1pfh s GLU 32 Cb -0.43 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 29.95 1pfh s GLU 32 CO 0.57 -1.02 1.53 0.42 -0.54 0.00 0.00 175.26 176.22 1pfh s ILE 33 N 2.52 3.73 -0.34 -3.70 -1.09 -1.26 -4.49 121.20 116.57 1pfh s ILE 33 Ca 0.17 0.67 -0.07 0.00 -2.23 0.00 0.00 60.65 59.18 1pfh s ILE 33 Cb -0.17 -4.18 0.04 0.00 -1.58 0.00 0.00 42.46 36.57 1pfh s ILE 33 CO 0.15 -0.88 0.12 0.42 -1.23 0.00 0.00 174.94 173.51 1pfh s THR 34 N 6.33 3.90 -0.57 2.92 -4.23 -0.70 -1.10 115.64 122.20 1pfh s THR 34 Ca 0.61 -1.06 -0.27 0.00 -1.18 0.00 0.00 61.69 59.79 1pfh s THR 34 Cb -0.14 -3.19 0.03 0.00 1.34 0.00 0.00 72.50 70.55 1pfh s THR 34 CO 0.28 -0.16 1.12 -0.69 -0.54 0.00 0.00 174.62 174.63 1pfh s VAL 35 N 1.43 4.14 -0.56 2.29 1.01 0.00 -2.15 120.40 126.56 1pfh s VAL 35 Ca -0.01 0.74 -0.25 0.00 0.00 0.00 0.00 61.98 62.47 1pfh s VAL 35 Cb -0.19 -4.67 0.04 0.00 0.00 0.00 0.00 36.38 31.56 1pfh s VAL 35 CO 0.03 -1.26 0.97 -0.89 0.00 0.00 0.00 175.10 173.95 1pfh s THR 36 N 4.64 4.35 -0.27 3.92 2.01 -1.00 -0.51 115.64 128.77 1pfh s THR 36 Ca 0.40 0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.74 1pfh s THR 36 Cb -0.09 -4.56 0.06 0.00 0.01 0.00 0.00 72.50 67.92 1pfh s THR 36 CO 0.24 -1.15 -0.07 -0.55 -0.69 0.00 0.00 174.62 172.40 1pfh s SER 37 N 2.87 4.57 -0.77 3.53 0.15 -0.53 -2.78 113.70 120.76 1pfh s SER 37 Ca 0.31 -1.41 -0.04 0.00 0.70 0.00 0.00 55.95 55.51 1pfh s SER 37 Cb -0.12 -1.59 0.01 0.00 -1.71 0.00 0.00 66.02 62.60 1pfh s SER 37 CO 0.20 -0.22 0.62 -0.46 1.20 0.00 0.00 173.24 174.58 1pfh n ASN 38 N 4.47 -5.45 0.00 5.45 0.23 -1.26 -2.43 115.26 116.26 1pfh n ASN 38 Ca -0.13 -0.71 0.00 0.00 -0.53 0.00 0.00 54.58 53.21 1pfh n ASN 38 Cb 0.42 -2.33 0.00 0.00 -2.08 0.00 0.00 39.78 35.80 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 -1.49 0.13 3.03 4.83 0.00 -1.26 -4.94 105.19 105.49 1pfh n GLY 39 Ca -0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.47 1.61 -0.77 1.61 1.02 -1.02 -5.06 119.74 115.65 1pfh s LYS 40 Ca 0.00 -1.93 -0.27 0.00 0.02 0.00 0.00 55.97 53.80 1pfh s LYS 40 Cb 0.00 -3.28 0.03 0.00 -0.52 0.00 0.00 37.83 34.06 1pfh s LYS 40 CO 0.00 -0.97 1.30 -1.12 -0.92 0.00 0.00 175.35 173.64 1pfh s SER 41 N 0.97 6.20 -0.22 2.83 0.01 -1.26 -1.45 113.70 120.78 1pfh s SER 41 Ca 0.11 -0.57 -0.08 0.00 1.31 0.00 0.00 55.95 56.72 1pfh s SER 41 Cb -0.20 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.43 1pfh s SER 41 CO -0.07 -1.80 0.09 0.00 0.41 0.00 0.00 173.24 171.87 1pfh s ALA 42 N 5.65 3.34 0.15 1.44 0.00 0.33 -4.87 121.76 127.81 1pfh s ALA 42 Ca 0.36 -0.95 -0.31 0.00 0.00 0.00 0.00 51.96 51.07 1pfh s ALA 42 Cb -0.07 -2.08 -0.08 0.00 0.00 0.00 0.00 23.12 20.89 1pfh s ALA 42 CO 0.12 -0.20 1.31 0.45 0.00 0.00 0.00 175.76 177.45 1pfh s SER 43 N 1.07 6.91 0.35 0.00 0.15 -1.26 -0.82 113.70 120.11 1pfh s SER 43 Ca 0.05 2.30 0.18 0.00 0.70 0.00 0.00 55.95 59.18 1pfh s SER 43 Cb -0.14 -2.60 0.51 0.00 -1.71 0.00 0.00 66.02 62.08 1pfh s SER 43 CO 0.04 -0.55 1.65 0.00 1.20 0.00 0.00 173.24 175.57 1pfh h ALA 44 N 6.10 0.88 0.00 5.45 0.00 -1.50 -3.20 119.26 127.00 1pfh h ALA 44 Ca -0.43 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.01 1pfh h ALA 44 Cb 1.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1pfh h ALA 44 CO 0.81 0.50 -0.50 0.87 0.00 0.00 0.00 179.25 180.93 1pfh h LYS 45 N 0.00 0.00 -4.34 0.00 1.57 -1.86 -3.37 116.57 108.57 1pfh h LYS 45 Ca -0.00 0.00 -0.74 0.00 -1.87 0.00 0.00 60.65 58.03 1pfh h LYS 45 Cb 1.04 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.13 1pfh h LYS 45 CO 0.05 0.50 0.28 0.45 -0.57 0.00 0.00 179.45 180.16 1pfh s SER 46 N -6.56 6.58 0.20 0.86 0.15 -1.22 -4.97 113.70 108.73 1pfh s SER 46 Ca 0.00 -2.21 -0.17 0.00 0.70 0.00 0.00 55.95 54.26 1pfh s SER 46 Cb 0.11 -2.28 0.17 0.00 -1.71 0.00 0.00 66.02 62.31 1pfh s SER 46 CO 0.72 -0.83 1.38 -0.11 1.20 0.00 0.00 173.24 175.60 1pfh n LEU 47 N 5.21 -0.63 0.05 3.45 7.94 -1.26 -1.21 117.00 130.55 1pfh n LEU 47 Ca 0.10 1.56 -0.01 0.00 -1.11 0.00 0.00 56.01 56.55 1pfh n LEU 47 Cb 0.46 -0.33 0.29 0.00 0.53 0.00 0.00 43.42 44.37 1pfh n LEU 47 CO 0.44 -1.38 0.83 -0.26 -1.11 0.00 0.00 177.39 175.91 1pfh h PHE 48 N 0.00 0.42 -0.05 1.96 0.04 -1.93 -2.92 116.94 114.45 1pfh h PHE 48 Ca 0.28 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.99 1pfh h PHE 48 Cb 0.51 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 1pfh h PHE 48 CO -0.80 0.54 0.03 0.87 -0.60 0.00 0.00 178.31 178.35 1pfh h LYS 49 N 0.36 0.07 -0.74 1.51 1.57 -1.40 0.22 116.57 118.16 1pfh h LYS 49 Ca 0.06 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1pfh h LYS 49 Cb 0.50 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1pfh h LYS 49 CO 0.03 0.05 0.24 1.25 -0.57 0.00 0.00 179.45 180.45 1pfh h LEU 50 N 0.07 1.06 -0.84 2.94 5.85 -1.53 -2.93 115.31 119.93 1pfh h LEU 50 Ca 0.02 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.46 1pfh h LEU 50 Cb -0.01 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 1pfh h LEU 50 CO -0.01 0.98 -0.03 1.56 -0.34 0.00 0.00 178.44 180.60 1pfh h GLN 51 N 1.09 0.83 -3.49 1.25 4.20 -1.24 -3.34 115.11 114.41 1pfh h GLN 51 Ca 0.24 -0.24 -0.80 0.00 0.06 0.00 0.00 58.65 57.91 1pfh h GLN 51 Cb 0.29 -0.09 -0.28 0.00 0.30 0.00 0.00 27.48 27.71 1pfh h GLN 51 CO -0.01 0.85 0.52 -2.37 -0.67 0.00 0.00 178.83 177.15 1pfh n THR 52 N -4.19 4.68 0.02 -0.54 5.66 0.73 -4.37 114.28 116.26 1pfh n THR 52 Ca 0.02 -5.45 0.00 0.00 -3.05 0.00 0.00 64.05 55.57 1pfh n THR 52 Cb 0.33 -2.52 0.00 0.00 -1.55 0.00 0.00 70.33 66.58 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 2.54 -0.23 -0.26 1.09 7.94 -1.25 -4.84 117.00 121.98 1pfh n LEU 53 Ca 0.24 0.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.22 1pfh n LEU 53 Cb 0.38 0.44 0.00 0.00 0.53 0.00 0.00 43.42 44.77 1pfh n LEU 53 CO 0.51 -0.47 0.00 0.61 -1.11 0.00 0.00 177.39 176.92 1pfh n GLY 54 N 0.06 0.76 3.50 -3.96 0.00 -1.26 -5.05 105.19 99.24 1pfh n GLY 54 Ca 0.00 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.43 4.27 0.00 0.99 1.43 -1.26 -4.88 118.68 118.80 1pfh s LEU 55 Ca 0.00 -1.61 0.00 0.00 -1.03 0.00 0.00 54.13 51.49 1pfh s LEU 55 Cb 0.00 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.74 1pfh s LEU 55 CO 0.00 -1.32 0.00 1.07 0.23 0.00 0.00 176.35 176.33 1pfh n THR 56 N 6.13 0.00 -1.84 5.49 5.66 -1.26 -0.88 114.28 127.58 1pfh n THR 56 Ca 0.23 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.81 1pfh n THR 56 Cb 0.49 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.25 1pfh n THR 56 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1pfh s GLN 57 N -0.03 4.05 0.00 1.09 0.74 -1.25 -2.45 119.66 121.82 1pfh s GLN 57 Ca 0.00 2.31 0.00 0.00 0.05 0.00 0.00 55.36 57.72 1pfh s GLN 57 Cb 0.00 -4.10 0.00 0.00 1.10 0.00 0.00 33.01 30.01 1pfh s GLN 57 CO 0.00 -1.02 0.00 0.41 -0.55 0.00 0.00 175.29 174.13 1pfh n GLY 58 N 4.47 1.34 3.77 2.59 0.00 -0.11 -5.03 105.19 112.23 1pfh n GLY 58 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.44 3.70 0.06 2.61 -4.23 -1.02 -4.76 115.64 109.55 1pfh s THR 59 Ca 0.00 1.53 -0.22 0.00 -1.18 0.00 0.00 61.69 61.82 1pfh s THR 59 Cb 0.00 -3.91 -0.06 0.00 1.34 0.00 0.00 72.50 69.87 1pfh s THR 59 CO 0.00 0.23 0.65 -0.69 -0.54 0.00 0.00 174.62 174.28 1pfh s VAL 60 N -1.38 4.73 -0.90 2.29 1.01 -1.26 -1.58 120.40 123.31 1pfh s VAL 60 Ca 0.49 1.40 -0.01 0.00 0.00 0.00 0.00 61.98 63.86 1pfh s VAL 60 Cb -0.27 -4.00 0.23 0.00 0.00 0.00 0.00 36.38 32.35 1pfh s VAL 60 CO 0.34 0.47 0.83 1.33 0.00 0.00 0.00 175.10 178.06 1pfh n VAL 61 N 2.25 3.13 -2.31 2.92 0.24 0.13 -3.94 118.33 120.75 1pfh n VAL 61 Ca -0.07 -5.17 -0.35 0.00 -2.04 0.00 0.00 64.34 56.71 1pfh n VAL 61 Cb 0.50 -2.35 -0.04 0.00 -1.47 0.00 0.00 33.84 30.49 1pfh n VAL 61 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1pfh s THR 62 N -1.54 3.74 -1.03 3.34 2.01 -1.12 -2.74 115.64 118.31 1pfh s THR 62 Ca 0.29 -0.89 -0.23 0.00 0.31 0.00 0.00 61.69 61.17 1pfh s THR 62 Cb -0.05 -4.67 -0.00 0.00 0.01 0.00 0.00 72.50 67.79 1pfh s THR 62 CO -0.11 -1.47 1.74 -0.63 -0.69 0.00 0.00 174.62 173.46 1pfh s ILE 63 N 7.54 3.71 -0.16 1.82 1.01 -0.27 -2.36 121.20 132.48 1pfh s ILE 63 Ca 0.59 -0.76 -0.21 0.00 0.00 0.00 0.00 60.65 60.27 1pfh s ILE 63 Cb -0.01 -4.60 -0.03 0.00 0.01 0.00 0.00 42.46 37.83 1pfh s ILE 63 CO 0.01 -1.44 0.64 -0.44 0.00 0.00 0.00 174.94 173.70 1pfh s SER 64 N 6.28 6.76 -0.12 3.58 0.01 -0.91 -2.35 113.70 126.95 1pfh s SER 64 Ca 0.59 0.92 -0.09 0.00 1.31 0.00 0.00 55.95 58.68 1pfh s SER 64 Cb -0.02 -2.36 0.04 0.00 0.21 0.00 0.00 66.02 63.89 1pfh s SER 64 CO -0.01 -0.22 0.31 0.00 0.41 0.00 0.00 173.24 173.73 1pfh s ALA 65 N 1.55 -0.76 -0.06 1.44 0.00 -0.32 -1.73 121.76 121.88 1pfh s ALA 65 Ca 0.31 1.00 0.01 0.00 0.00 0.00 0.00 51.96 53.28 1pfh s ALA 65 Cb -0.16 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.38 1pfh s ALA 65 CO 0.12 -0.18 -0.09 -2.00 0.00 0.00 0.00 175.76 173.62 1pfh s GLU 66 N 0.61 1.36 0.00 0.00 2.12 -1.26 -1.05 118.70 120.48 1pfh s GLU 66 Ca -0.04 -0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.01 1pfh s GLU 66 Cb -0.05 -1.22 0.00 0.00 0.26 0.00 0.00 34.13 33.12 1pfh s GLU 66 CO -0.04 -0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.05 1pfh n GLY 67 N 4.03 -1.15 0.39 -1.50 0.00 -1.26 -4.14 105.19 101.56 1pfh n GLY 67 Ca -0.22 -1.54 0.17 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 2.52 0.35 -0.25 1.61 5.08 -2.00 -0.42 114.58 121.46 1pfh h GLU 68 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1pfh h GLU 68 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1pfh h GLU 68 CO 0.00 0.23 0.00 -0.40 -1.00 0.00 0.00 179.01 177.84 1pfh n ASP 69 N -4.47 3.71 -0.20 1.42 5.68 -1.26 -4.88 116.55 116.56 1pfh n ASP 69 Ca 0.15 -2.94 -0.03 0.00 -0.50 0.00 0.00 54.79 51.47 1pfh n ASP 69 Cb 0.58 -0.51 0.04 0.00 -1.14 0.00 0.00 41.12 40.09 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 1.70 -0.09 -0.63 0.11 4.11 -1.39 0.12 114.58 118.51 1pfh h GLU 70 Ca 0.00 0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.41 1pfh h GLU 70 Cb 1.36 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.60 1pfh h GLU 70 CO 0.19 -0.06 0.29 -0.56 0.07 0.00 0.00 179.01 178.95 1pfh h GLN 71 N -0.09 0.91 -0.17 1.06 -0.00 -1.90 -1.57 115.11 113.36 1pfh h GLN 71 Ca 0.27 -0.14 -0.06 0.00 -0.00 0.00 0.00 58.65 58.72 1pfh h GLN 71 Cb 0.51 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.48 27.83 1pfh h GLN 71 CO -0.65 0.74 -0.12 0.87 -0.00 0.00 0.00 178.83 179.67 1pfh h LYS 72 N 0.87 0.38 -0.04 0.06 1.57 -1.30 -1.31 116.57 116.80 1pfh h LYS 72 Ca 0.22 -0.18 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1pfh h LYS 72 Cb 0.13 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 1pfh h LYS 72 CO -0.03 0.72 -0.26 0.00 -0.57 0.00 0.00 179.45 179.32 1pfh h ALA 73 N 0.65 -0.32 0.22 3.86 0.00 -0.75 0.56 119.26 123.49 1pfh h ALA 73 Ca 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1pfh h ALA 73 Cb 0.63 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1pfh h ALA 73 CO 0.03 -0.75 -0.14 0.28 0.00 0.00 0.00 179.25 178.67 1pfh h VAL 74 N -0.37 0.69 -0.35 0.00 2.07 -1.06 0.88 116.25 118.12 1pfh h VAL 74 Ca 0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.63 1pfh h VAL 74 Cb 0.48 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1pfh h VAL 74 CO -0.25 0.00 0.14 -0.08 0.02 0.00 0.00 177.57 177.39 1pfh h GLU 75 N -0.36 0.28 0.36 1.57 4.81 -1.09 0.30 114.58 120.46 1pfh h GLU 75 Ca -0.02 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1pfh h GLU 75 Cb 0.30 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1pfh h GLU 75 CO 0.01 0.19 -0.29 1.25 -0.73 0.00 0.00 179.01 179.44 1pfh h HIS 76 N 0.29 -0.77 -0.01 0.92 2.76 -0.67 -2.40 115.15 115.27 1pfh h HIS 76 Ca 0.15 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.26 1pfh h HIS 76 Cb 0.11 0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 1pfh h HIS 76 CO -0.13 -0.43 -0.32 -0.07 -1.30 0.00 0.00 177.93 175.69 1pfh h LEU 77 N -0.65 0.02 -0.09 0.26 3.38 -0.34 0.28 115.31 118.17 1pfh h LEU 77 Ca -0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1pfh h LEU 77 Cb 0.57 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1pfh h LEU 77 CO -0.01 0.34 0.01 0.58 0.09 0.00 0.00 178.44 179.44 1pfh h VAL 78 N 0.02 1.23 -0.41 1.22 2.07 -0.91 -1.30 116.25 118.18 1pfh h VAL 78 Ca -0.00 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 1pfh h VAL 78 Cb 0.57 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1pfh h VAL 78 CO 0.04 0.20 0.15 0.11 0.02 0.00 0.00 177.57 178.09 1pfh h LYS 79 N -0.09 0.62 -0.34 1.57 1.57 -0.87 -1.40 116.57 117.64 1pfh h LYS 79 Ca 0.03 -0.12 0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1pfh h LYS 79 Cb 0.31 -0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.45 1pfh h LYS 79 CO 0.00 0.60 -0.17 1.25 -0.57 0.00 0.00 179.45 180.56 1pfh h LEU 80 N 0.51 -0.58 -0.78 2.94 5.85 -0.49 0.32 115.31 123.09 1pfh h LEU 80 Ca 0.13 0.13 0.05 0.00 0.84 0.00 0.00 57.88 59.03 1pfh h LEU 80 Cb 0.22 0.31 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 1pfh h LEU 80 CO -0.01 -0.21 0.48 -0.03 -0.34 0.00 0.00 178.44 178.34 1pfh h MET 81 N -0.12 0.88 -0.18 1.25 4.05 -1.03 -2.71 114.93 117.07 1pfh h MET 81 Ca 0.17 -0.05 -0.11 0.00 -0.28 0.00 0.00 59.70 59.42 1pfh h MET 81 Cb 0.38 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 1pfh h MET 81 CO -0.41 0.58 -0.34 0.00 0.23 0.00 0.00 176.91 176.97 1pfh h ALA 82 N 1.36 0.28 -0.15 0.39 0.00 -0.11 -3.31 119.26 117.72 1pfh h ALA 82 Ca 0.33 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1pfh h ALA 82 Cb 0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1pfh h ALA 82 CO -0.15 0.33 0.12 0.39 0.00 0.00 0.00 179.25 179.94 1pfh n GLU 83 N -4.32 1.22 -3.95 0.00 1.02 0.10 -4.78 120.64 109.94 1pfh n GLU 83 Ca -0.06 -0.47 -0.29 0.00 -0.02 0.00 0.00 57.16 56.32 1pfh n GLU 83 Cb 0.50 -1.18 -0.16 0.00 -0.02 0.00 0.00 31.44 30.57 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 -0.54 1.70 0.00 -4.62 1.43 -1.18 -4.96 118.68 110.52 1pfh s LEU 84 Ca 0.09 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1pfh s LEU 84 Cb 0.07 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.26 1pfh s LEU 84 CO 0.01 -0.13 0.04 -0.62 0.23 0.00 0.00 176.35 175.87