#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 1.47 -0.01 1.12 5.36 -1.04 -5.00 117.98 119.88 1pfh s PHE 2 Ca 0.00 -0.34 0.06 0.00 -0.96 0.00 0.00 56.93 55.69 1pfh s PHE 2 Cb 0.00 -0.97 -0.01 0.00 -0.34 0.00 0.00 43.02 41.69 1pfh s PHE 2 CO 0.00 -0.08 -0.18 -0.65 -1.46 0.00 0.00 175.22 172.85 1pfh s GLN 3 N -0.17 1.48 -0.14 10.12 1.11 -1.26 -1.15 119.66 129.64 1pfh s GLN 3 Ca 0.02 -0.65 -0.05 0.00 0.01 0.00 0.00 55.36 54.69 1pfh s GLN 3 Cb -0.08 -1.42 0.07 0.00 -1.01 0.00 0.00 33.01 30.56 1pfh s GLN 3 CO 0.00 0.39 0.30 -1.14 0.01 0.00 0.00 175.29 174.85 1pfh s GLN 4 N -0.41 0.20 -0.34 2.91 0.74 -0.52 -5.01 119.66 117.22 1pfh s GLN 4 Ca 0.07 0.77 -0.19 0.00 0.05 0.00 0.00 55.36 56.06 1pfh s GLN 4 Cb -0.07 0.02 -0.00 0.00 1.10 0.00 0.00 33.01 34.06 1pfh s GLN 4 CO -0.01 -0.26 0.58 -2.00 -0.55 0.00 0.00 175.29 173.05 1pfh s GLU 5 N 2.25 3.69 0.06 1.67 2.12 -1.26 -0.63 118.70 126.61 1pfh s GLU 5 Ca -0.01 -0.01 0.08 0.00 0.36 0.00 0.00 54.97 55.39 1pfh s GLU 5 Cb -0.12 -3.79 -0.03 0.00 0.26 0.00 0.00 34.13 30.45 1pfh s GLU 5 CO -0.09 -0.66 -0.21 0.14 -0.54 0.00 0.00 175.26 173.90 1pfh s VAL 6 N 2.54 2.62 -0.28 3.70 -7.23 0.27 -4.95 120.40 117.06 1pfh s VAL 6 Ca 0.22 -1.34 -0.15 0.00 -1.81 0.00 0.00 61.98 58.90 1pfh s VAL 6 Cb -0.15 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 1pfh s VAL 6 CO 0.14 0.28 0.37 0.42 -0.31 0.00 0.00 175.10 176.00 1pfh s THR 7 N -0.95 5.17 -0.58 5.32 -4.23 -1.26 -0.92 115.64 118.19 1pfh s THR 7 Ca 0.15 0.48 -0.27 0.00 -1.18 0.00 0.00 61.69 60.87 1pfh s THR 7 Cb -0.10 -3.72 0.03 0.00 1.34 0.00 0.00 72.50 70.05 1pfh s THR 7 CO 0.06 0.11 1.11 -0.63 -0.54 0.00 0.00 174.62 174.73 1pfh s ILE 8 N 2.07 4.13 -2.64 2.99 1.01 -1.24 -4.85 121.20 122.66 1pfh s ILE 8 Ca 0.14 0.67 0.24 0.00 0.00 0.00 0.00 60.65 61.70 1pfh s ILE 8 Cb -0.16 -4.68 0.12 0.00 0.01 0.00 0.00 42.46 37.76 1pfh s ILE 8 CO 0.10 -1.29 1.21 0.35 0.00 0.00 0.00 174.94 175.31 1pfh n THR 9 N 6.50 0.00 -2.09 2.92 -2.24 -1.26 -0.53 114.28 117.58 1pfh n THR 9 Ca 0.06 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 61.01 1pfh n THR 9 Cb 0.48 1.40 -0.03 0.00 -2.10 0.00 0.00 70.33 70.08 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 -2.17 3.64 0.27 6.98 0.00 -1.26 -4.81 121.76 124.40 1pfh s ALA 10 Ca 0.25 1.12 -0.01 0.00 0.00 0.00 0.00 51.96 53.31 1pfh s ALA 10 Cb 0.19 -3.61 0.58 0.00 0.00 0.00 0.00 23.12 20.29 1pfh s ALA 10 CO 0.40 -0.84 1.70 -1.00 0.00 0.00 0.00 175.76 176.01 1pfh h PRO 11 N 7.47 0.34 0.00 0.00 0.13 -1.95 -2.21 132.00 135.79 1pfh h PRO 11 Ca -0.41 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.60 1pfh h PRO 11 Cb 1.20 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1pfh h PRO 11 CO 0.90 0.23 -1.81 0.27 -0.23 0.00 0.00 178.00 177.35 1pfh n ASN 12 N -5.09 1.44 0.00 1.44 0.23 -1.26 -3.89 115.26 108.13 1pfh n ASN 12 Ca 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.23 1pfh n ASN 12 Cb 0.54 1.41 0.00 0.00 -2.08 0.00 0.00 39.78 39.65 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 1.79 0.97 3.43 4.83 0.00 -0.92 -4.12 105.19 111.16 1pfh n GLY 13 Ca -0.10 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 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 3.34 0.19 0.99 1.02 -1.03 -4.96 118.68 118.23 1pfh s LEU 14 Ca 0.00 -0.23 -0.23 0.00 0.02 0.00 0.00 54.13 53.69 1pfh s LEU 14 Cb 0.00 -1.88 0.10 0.00 0.02 0.00 0.00 46.19 44.43 1pfh s LEU 14 CO 0.00 -0.01 1.56 0.71 0.02 0.00 0.00 176.35 178.62 1pfh h THR 16 N 5.53 0.03 0.00 5.49 1.35 -1.94 -0.44 112.91 122.93 1pfh h THR 16 Ca -0.38 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.41 1pfh h THR 16 Cb 1.17 0.03 0.01 0.00 -1.73 0.00 0.00 68.15 67.63 1pfh h THR 16 CO 0.59 0.00 -0.25 0.03 -0.25 0.00 0.00 175.52 175.64 1pfh h ARG 17 N -0.07 0.17 -0.98 4.72 3.08 -1.98 0.37 114.38 119.68 1pfh h ARG 17 Ca 0.25 -0.18 0.03 0.00 0.07 0.00 0.00 59.98 60.15 1pfh h ARG 17 Cb 0.54 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.59 1pfh h ARG 17 CO -0.88 0.93 0.65 -1.35 -1.07 0.00 0.00 179.97 178.25 1pfh h PRO 18 N -0.51 1.23 -0.11 0.04 0.11 -1.95 -1.25 132.00 129.56 1pfh h PRO 18 Ca -0.03 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 66.04 1pfh h PRO 18 Cb 1.02 -0.28 -0.04 0.00 0.11 0.00 0.00 31.00 31.81 1pfh h PRO 18 CO 0.05 0.81 -0.14 0.00 -0.21 0.00 0.00 178.00 178.52 1pfh h ALA 19 N 1.42 -0.07 -0.61 -0.75 0.00 -1.07 0.12 119.26 118.30 1pfh h ALA 19 Ca 0.38 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1pfh h ALA 19 Cb -0.04 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1pfh h ALA 19 CO -0.11 -0.59 0.36 0.00 0.00 0.00 0.00 179.25 178.91 1pfh h ALA 20 N 0.87 1.50 -0.25 0.00 0.00 -0.62 -1.89 119.26 118.86 1pfh h ALA 20 Ca 0.08 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1pfh h ALA 20 Cb 0.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1pfh h ALA 20 CO -0.21 0.44 -0.11 1.96 0.00 0.00 0.00 179.25 181.33 1pfh h GLN 21 N 0.83 0.52 -0.95 0.00 4.20 -0.77 -3.00 115.11 115.94 1pfh h GLN 21 Ca 0.22 -0.22 0.13 0.00 0.06 0.00 0.00 58.65 58.84 1pfh h GLN 21 Cb -0.03 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 27.65 1pfh h GLN 21 CO -0.04 0.77 0.57 0.35 -0.67 0.00 0.00 178.83 179.81 1pfh h PHE 22 N 0.25 1.03 0.51 2.96 3.04 -0.39 -1.93 116.94 122.41 1pfh h PHE 22 Ca 0.06 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.03 1pfh h PHE 22 Cb 0.60 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.77 1pfh h PHE 22 CO 0.06 0.37 -0.50 0.28 -2.02 0.00 0.00 178.31 176.50 1pfh h VAL 23 N 0.87 0.00 -0.17 1.41 2.07 -1.35 -1.84 116.25 117.25 1pfh h VAL 23 Ca 0.48 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.98 1pfh h VAL 23 Cb 0.54 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1pfh h VAL 23 CO -0.29 0.00 -0.01 0.07 0.02 0.00 0.00 177.57 177.36 1pfh h LYS 24 N -1.01 0.24 0.37 1.57 2.10 -1.23 0.73 116.57 119.34 1pfh h LYS 24 Ca -0.07 -0.03 -0.02 0.00 -2.00 0.00 0.00 60.65 58.53 1pfh h LYS 24 Cb 0.87 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 1pfh h LYS 24 CO -0.05 0.27 -0.18 1.49 -2.00 0.00 0.00 179.45 178.98 1pfh h GLU 25 N 0.24 -0.48 -0.92 0.07 4.57 -1.30 -3.00 114.58 113.76 1pfh h GLU 25 Ca 0.06 0.03 0.14 0.00 -1.18 0.00 0.00 59.36 58.41 1pfh h GLU 25 Cb 0.18 0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 28.80 1pfh h GLU 25 CO 0.00 -0.17 0.59 0.00 -1.18 0.00 0.00 179.01 178.25 1pfh h ALA 26 N -0.33 1.77 -0.14 2.92 0.00 -1.09 -1.15 119.26 121.24 1pfh h ALA 26 Ca -0.05 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1pfh h ALA 26 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1pfh h ALA 26 CO 0.08 -0.03 0.10 -0.22 0.00 0.00 0.00 179.25 179.19 1pfh h LYS 27 N 0.75 0.00 0.00 0.00 3.64 -0.72 -2.00 116.57 118.23 1pfh h LYS 27 Ca 0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 1pfh h LYS 27 Cb 0.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1pfh h LYS 27 CO -0.23 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.36 1pfh n GLY 28 N -1.55 -0.98 3.92 5.01 0.00 -0.43 -4.73 105.19 106.43 1pfh n GLY 28 Ca 0.00 0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.20 3.51 0.05 1.61 0.08 -0.75 -5.04 117.98 114.24 1pfh s PHE 29 Ca 0.03 0.55 -0.20 0.00 0.12 0.00 0.00 56.93 57.43 1pfh s PHE 29 Cb 0.07 -2.06 -0.12 0.00 -0.57 0.00 0.00 43.02 40.34 1pfh s PHE 29 CO 0.25 0.04 1.40 1.79 -0.10 0.00 0.00 175.22 178.59 1pfh h THR 30 N 0.80 1.32 -3.56 0.64 1.35 -1.86 -3.45 112.91 108.15 1pfh h THR 30 Ca -0.48 -1.20 -0.54 0.00 -0.55 0.00 0.00 66.41 63.64 1pfh h THR 30 Cb 1.21 1.72 0.10 0.00 -1.73 0.00 0.00 68.15 69.44 1pfh h THR 30 CO 0.63 0.36 0.80 -1.54 -0.25 0.00 0.00 175.52 175.51 1pfh n SER 31 N -4.56 3.72 -4.53 5.36 3.41 -1.26 -4.87 113.62 110.88 1pfh n SER 31 Ca -0.05 1.19 -0.43 0.00 -0.26 0.00 0.00 58.87 59.32 1pfh n SER 31 Cb 0.33 -1.59 -0.07 0.00 -0.26 0.00 0.00 64.21 62.62 1pfh n SER 31 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1pfh s GLU 32 N -1.36 3.39 -0.12 4.33 2.12 -0.46 -4.87 118.70 121.74 1pfh s GLU 32 Ca 0.58 -0.29 -0.14 0.00 0.36 0.00 0.00 54.97 55.49 1pfh s GLU 32 Cb -0.50 -3.91 -0.05 0.00 0.26 0.00 0.00 34.13 29.94 1pfh s GLU 32 CO 0.57 -0.90 0.32 0.42 -0.54 0.00 0.00 175.26 175.13 1pfh s ILE 33 N 2.69 5.26 -0.11 -3.70 1.01 -1.26 -2.05 121.20 123.04 1pfh s ILE 33 Ca 0.22 0.61 -0.02 0.00 0.00 0.00 0.00 60.65 61.46 1pfh s ILE 33 Cb -0.15 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 1pfh s ILE 33 CO 0.17 0.44 -0.04 0.42 0.00 0.00 0.00 174.94 175.93 1pfh s THR 34 N 0.03 3.92 -0.77 2.92 -4.23 0.12 -0.59 115.64 117.04 1pfh s THR 34 Ca 0.19 -0.37 -0.06 0.00 -1.18 0.00 0.00 61.69 60.26 1pfh s THR 34 Cb -0.14 -2.67 0.20 0.00 1.34 0.00 0.00 72.50 71.23 1pfh s THR 34 CO 0.06 0.55 0.64 -0.69 -0.54 0.00 0.00 174.62 174.65 1pfh s VAL 35 N -0.29 4.50 -0.45 2.29 1.01 0.81 -1.14 120.40 127.13 1pfh s VAL 35 Ca 0.05 -3.06 -0.21 0.00 0.00 0.00 0.00 61.98 58.75 1pfh s VAL 35 Cb -0.13 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.45 1pfh s VAL 35 CO 0.02 -0.98 0.70 -0.89 0.00 0.00 0.00 175.10 173.95 1pfh s THR 36 N -0.36 4.75 -0.62 3.92 2.01 -0.08 -0.93 115.64 124.32 1pfh s THR 36 Ca 0.20 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.38 1pfh s THR 36 Cb -0.14 -4.27 0.16 0.00 0.01 0.00 0.00 72.50 68.26 1pfh s THR 36 CO -0.07 -0.68 0.41 -0.55 -0.69 0.00 0.00 174.62 173.04 1pfh s SER 37 N 2.14 4.87 0.00 3.53 0.15 0.21 -0.55 113.70 124.06 1pfh s SER 37 Ca 0.25 -3.17 0.00 0.00 0.70 0.00 0.00 55.95 53.73 1pfh s SER 37 Cb -0.14 -1.74 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 1pfh s SER 37 CO 0.20 -0.25 0.00 -0.46 1.20 0.00 0.00 173.24 173.93 1pfh n ASN 38 N 2.97 0.00 0.00 5.45 0.23 -1.26 -1.51 115.26 121.14 1pfh n ASN 38 Ca 0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.15 1pfh n ASN 38 Cb 0.35 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 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 0.68 2.42 3.38 4.83 0.00 -1.26 -4.94 105.19 110.30 1pfh n GLY 39 Ca 0.00 -0.50 -0.45 0.00 0.00 0.00 0.00 46.02 45.08 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 3.10 -0.57 1.61 1.02 -0.57 -4.99 119.74 119.34 1pfh s LYS 40 Ca 0.00 -1.34 -0.08 0.00 0.02 0.00 0.00 55.97 54.57 1pfh s LYS 40 Cb 0.00 -4.31 0.15 0.00 -0.52 0.00 0.00 37.83 33.15 1pfh s LYS 40 CO 0.00 -1.58 0.44 0.45 -0.92 0.00 0.00 175.35 173.74 1pfh s SER 41 N 3.58 5.76 0.23 2.83 0.15 -1.26 -0.62 113.70 124.37 1pfh s SER 41 Ca 0.14 -2.30 -0.23 0.00 0.70 0.00 0.00 55.95 54.26 1pfh s SER 41 Cb -0.22 -2.00 -0.09 0.00 -1.71 0.00 0.00 66.02 62.01 1pfh s SER 41 CO 0.05 -0.59 0.80 0.00 1.20 0.00 0.00 173.24 174.70 1pfh s ALA 42 N 0.78 3.38 -0.17 5.45 0.00 -0.11 -4.88 121.76 126.21 1pfh s ALA 42 Ca 0.11 0.33 -0.26 0.00 0.00 0.00 0.00 51.96 52.13 1pfh s ALA 42 Cb -0.22 -2.96 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 1pfh s ALA 42 CO -0.03 0.28 0.88 0.45 0.00 0.00 0.00 175.76 177.34 1pfh s SER 43 N -1.46 7.01 -0.00 0.00 0.15 -1.26 -0.13 113.70 118.00 1pfh s SER 43 Ca 0.42 1.24 0.01 0.00 0.70 0.00 0.00 55.95 58.33 1pfh s SER 43 Cb -0.20 -2.48 0.05 0.00 -1.71 0.00 0.00 66.02 61.68 1pfh s SER 43 CO 0.24 -0.43 0.91 0.00 1.20 0.00 0.00 173.24 175.15 1pfh n ALA 44 N 5.30 2.52 0.37 5.45 0.00 0.24 -2.61 120.51 131.78 1pfh n ALA 44 Ca 0.06 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.44 1pfh n ALA 44 Cb 0.48 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.25 3.07 -5.19 0.00 5.02 -1.26 -3.68 118.16 115.87 1pfh n LYS 45 Ca 0.02 -0.33 -0.32 0.00 -2.02 0.00 0.00 58.31 55.66 1pfh n LYS 45 Cb 0.12 -0.97 -0.17 0.00 -0.02 0.00 0.00 35.03 34.00 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 -1.42 3.18 0.03 4.39 0.15 -1.07 -4.99 113.70 113.96 1pfh s SER 46 Ca 0.05 -0.52 -0.25 0.00 0.70 0.00 0.00 55.95 55.93 1pfh s SER 46 Cb 0.06 -1.26 -0.14 0.00 -1.71 0.00 0.00 66.02 62.97 1pfh s SER 46 CO 0.25 0.19 1.27 -0.07 1.20 0.00 0.00 173.24 176.09 1pfh h LEU 47 N 6.51 -0.77 -2.01 3.45 -0.00 -1.93 -3.09 115.31 117.47 1pfh h LEU 47 Ca -0.23 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.67 1pfh h LEU 47 Cb 1.22 0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 42.08 1pfh h LEU 47 CO 0.48 -0.51 -0.01 -0.26 -0.00 0.00 0.00 178.44 178.14 1pfh h PHE 48 N -0.99 0.00 0.46 1.13 0.04 -1.97 -1.06 116.94 114.55 1pfh h PHE 48 Ca -0.09 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.67 1pfh h PHE 48 Cb 0.70 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.83 1pfh h PHE 48 CO 0.05 0.01 -0.38 0.87 -0.60 0.00 0.00 178.31 178.26 1pfh h LYS 49 N 0.00 -0.81 -0.33 1.51 1.79 -1.82 0.03 116.57 116.94 1pfh h LYS 49 Ca -0.00 0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 58.48 1pfh h LYS 49 Cb 0.01 0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 1pfh h LYS 49 CO 0.00 -0.54 0.02 -0.07 -1.08 0.00 0.00 179.45 177.78 1pfh h LEU 50 N -0.84 0.55 -1.29 2.94 3.38 -1.39 -3.10 115.31 115.55 1pfh h LEU 50 Ca -0.05 -0.29 0.14 0.00 0.09 0.00 0.00 57.88 57.77 1pfh h LEU 50 Cb 0.73 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 1pfh h LEU 50 CO -0.02 0.70 0.57 1.56 0.09 0.00 0.00 178.44 181.35 1pfh h GLN 51 N 0.37 0.68 0.00 1.13 4.20 -1.07 -1.83 115.11 118.59 1pfh h GLN 51 Ca 0.09 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.63 1pfh h GLN 51 Cb 0.41 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1pfh h GLN 51 CO 0.01 0.45 -0.70 0.00 -0.67 0.00 0.00 178.83 177.92 1pfh h THR 52 N 0.70 0.98 -0.86 -0.54 1.03 -1.03 -3.42 112.91 109.76 1pfh h THR 52 Ca 0.44 -2.42 0.14 0.00 -0.01 0.00 0.00 66.41 64.56 1pfh h THR 52 Cb 0.70 2.46 -0.14 0.00 -1.07 0.00 0.00 68.15 70.09 1pfh h THR 52 CO -0.20 0.56 -0.38 0.25 -0.01 0.00 0.00 175.52 175.74 1pfh h LEU 53 N 0.00 -1.36 0.00 0.00 5.85 -1.24 -3.47 115.31 115.09 1pfh h LEU 53 Ca -0.03 0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1pfh h LEU 53 Cb 1.48 0.70 0.00 0.00 0.37 0.00 0.00 40.66 43.22 1pfh h LEU 53 CO 0.07 -0.29 0.00 0.61 -0.34 0.00 0.00 178.44 178.49 1pfh n GLY 54 N -1.46 0.27 3.07 3.75 0.00 -1.26 -5.05 105.19 104.51 1pfh n GLY 54 Ca 0.08 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 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 5.00 0.31 0.99 1.02 -1.26 -4.92 118.68 119.82 1pfh s LEU 55 Ca 0.00 -2.23 0.05 0.00 0.02 0.00 0.00 54.13 51.97 1pfh s LEU 55 Cb 0.00 -1.74 -0.03 0.00 0.02 0.00 0.00 46.19 44.44 1pfh s LEU 55 CO 0.00 -0.44 0.22 0.28 0.02 0.00 0.00 176.35 176.43 1pfh s THR 56 N 0.83 0.12 -0.23 5.49 -1.32 -1.26 -2.48 115.64 116.79 1pfh s THR 56 Ca 0.11 -2.00 -0.28 0.00 -1.21 0.00 0.00 61.69 58.31 1pfh s THR 56 Cb -0.21 -2.48 -0.05 0.00 -1.51 0.00 0.00 72.50 68.24 1pfh s THR 56 CO -0.05 0.00 2.24 1.67 -2.21 0.00 0.00 174.62 176.27 1pfh n GLN 57 N -0.59 1.90 0.00 7.08 7.27 -0.88 -1.18 117.38 130.98 1pfh n GLN 57 Ca 0.04 0.50 0.00 0.00 0.07 0.00 0.00 57.00 57.61 1pfh n GLN 57 Cb 0.64 -3.24 0.00 0.00 2.41 0.00 0.00 30.24 30.04 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 5.80 0.99 3.55 1.69 0.00 0.31 -5.01 105.19 112.53 1pfh n GLY 58 Ca 0.31 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.30 3.51 0.13 2.61 -4.23 -0.33 -4.75 115.64 111.28 1pfh s THR 59 Ca 0.00 0.03 -0.31 0.00 -1.18 0.00 0.00 61.69 60.23 1pfh s THR 59 Cb 0.00 -4.28 -0.08 0.00 1.34 0.00 0.00 72.50 69.48 1pfh s THR 59 CO 0.00 -1.23 1.36 -0.69 -0.54 0.00 0.00 174.62 173.53 1pfh s VAL 60 N 8.16 3.31 -0.15 2.29 1.01 -1.26 -3.65 120.40 130.12 1pfh s VAL 60 Ca 0.59 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.54 1pfh s VAL 60 Cb -0.09 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.69 1pfh s VAL 60 CO 0.12 0.09 -0.14 0.68 0.00 0.00 0.00 175.10 175.84 1pfh s VAL 61 N 0.88 1.59 -0.39 2.92 -7.23 -0.10 -4.45 120.40 113.62 1pfh s VAL 61 Ca 0.63 -0.65 -0.26 0.00 -1.81 0.00 0.00 61.98 59.89 1pfh s VAL 61 Cb -0.36 -1.49 0.02 0.00 0.56 0.00 0.00 36.38 35.11 1pfh s VAL 61 CO 0.32 0.46 0.95 -0.89 -0.31 0.00 0.00 175.10 175.64 1pfh s THR 62 N 1.45 4.53 -0.53 5.32 2.01 0.29 -0.56 115.64 128.14 1pfh s THR 62 Ca 0.04 1.15 -0.18 0.00 0.31 0.00 0.00 61.69 63.01 1pfh s THR 62 Cb -0.13 -4.38 0.08 0.00 0.01 0.00 0.00 72.50 68.08 1pfh s THR 62 CO -0.10 -0.63 0.61 -0.63 -0.69 0.00 0.00 174.62 173.18 1pfh s ILE 63 N 3.63 4.93 -0.20 1.82 1.01 0.20 -0.90 121.20 131.68 1pfh s ILE 63 Ca 0.39 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 1pfh s ILE 63 Cb -0.11 -4.33 0.01 0.00 0.01 0.00 0.00 42.46 38.03 1pfh s ILE 63 CO 0.21 -0.87 -0.13 -0.44 0.00 0.00 0.00 174.94 173.71 1pfh s SER 64 N 3.01 3.65 -0.19 3.58 0.01 -0.29 -1.44 113.70 122.03 1pfh s SER 64 Ca 0.12 -0.55 -0.04 0.00 1.31 0.00 0.00 55.95 56.79 1pfh s SER 64 Cb -0.22 -1.59 -0.02 0.00 0.21 0.00 0.00 66.02 64.40 1pfh s SER 64 CO 0.09 -0.01 -0.04 0.00 0.41 0.00 0.00 173.24 173.69 1pfh s ALA 65 N 1.37 2.90 -0.32 1.44 0.00 -0.30 -0.70 121.76 126.15 1pfh s ALA 65 Ca 0.05 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.01 1pfh s ALA 65 Cb -0.14 -1.64 0.07 0.00 0.00 0.00 0.00 23.12 21.41 1pfh s ALA 65 CO -0.09 -0.14 0.01 -2.00 0.00 0.00 0.00 175.76 173.55 1pfh s GLU 66 N 0.99 2.08 0.00 0.00 2.12 -0.87 -2.50 118.70 120.51 1pfh s GLU 66 Ca 0.00 -1.53 0.00 0.00 0.36 0.00 0.00 54.97 53.81 1pfh s GLU 66 Cb -0.15 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.07 1pfh s GLU 66 CO 0.01 -0.76 0.00 0.41 -0.54 0.00 0.00 175.26 174.38 1pfh n GLY 67 N 4.47 0.17 0.07 -1.50 0.00 -1.26 -1.35 105.19 105.79 1pfh n GLY 67 Ca -0.07 -1.47 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 1pfh n GLY 67 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pfh h GLU 68 N 0.12 0.09 -1.31 1.61 4.81 -1.96 -2.94 114.58 114.99 1pfh h GLU 68 Ca 0.00 -0.01 -0.57 0.00 -0.13 0.00 0.00 59.36 58.66 1pfh h GLU 68 Cb 0.00 -0.02 -0.23 0.00 0.63 0.00 0.00 28.75 29.13 1pfh h GLU 68 CO 0.00 0.06 0.73 -0.40 -0.73 0.00 0.00 179.01 178.66 1pfh n ASP 69 N -5.06 7.24 -0.06 1.04 5.68 -1.26 -4.84 116.55 119.30 1pfh n ASP 69 Ca -0.05 -3.54 -0.03 0.00 -0.50 0.00 0.00 54.79 50.67 1pfh n ASP 69 Cb 0.04 -1.03 -0.02 0.00 -1.14 0.00 0.00 41.12 38.97 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 1.99 -0.05 -0.67 0.11 4.11 -1.80 0.22 114.58 118.50 1pfh h GLU 70 Ca 0.49 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.88 1pfh h GLU 70 Cb 0.76 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1pfh h GLU 70 CO 1.28 -0.03 0.22 -0.56 0.07 0.00 0.00 179.01 179.99 1pfh h GLN 71 N -0.05 1.01 -0.12 1.06 -0.00 -1.88 -2.94 115.11 112.18 1pfh h GLN 71 Ca 0.03 -0.20 -0.02 0.00 -0.00 0.00 0.00 58.65 58.46 1pfh h GLN 71 Cb 0.12 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.48 27.44 1pfh h GLN 71 CO -0.17 0.86 -0.00 -0.22 -0.00 0.00 0.00 178.83 179.29 1pfh h LYS 72 N 0.98 0.22 -0.20 0.06 3.64 -1.80 -0.21 116.57 119.26 1pfh h LYS 72 Ca 0.22 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1pfh h LYS 72 Cb 0.26 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1pfh h LYS 72 CO -0.01 0.47 0.09 0.00 -2.27 0.00 0.00 179.45 177.73 1pfh h ALA 73 N 0.74 0.23 0.26 5.00 0.00 -0.95 -0.79 119.26 123.76 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 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1pfh h ALA 73 CO 0.01 -0.33 -0.13 0.28 0.00 0.00 0.00 179.25 179.08 1pfh h VAL 74 N 0.20 0.76 -0.45 0.00 2.07 -1.35 -1.25 116.25 116.22 1pfh h VAL 74 Ca 0.08 -0.12 0.09 0.00 0.82 0.00 0.00 66.70 67.57 1pfh h VAL 74 Cb 0.02 0.84 -0.09 0.00 -1.52 0.00 0.00 31.29 30.54 1pfh h VAL 74 CO -0.06 0.03 -0.20 -0.08 0.02 0.00 0.00 177.57 177.28 1pfh h GLU 75 N -0.41 -0.10 0.08 1.57 4.81 -0.88 0.14 114.58 119.79 1pfh h GLU 75 Ca -0.04 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1pfh h GLU 75 Cb 0.31 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1pfh h GLU 75 CO 0.06 -0.06 -0.10 1.25 -0.73 0.00 0.00 179.01 179.43 1pfh h HIS 76 N -0.10 -0.25 0.00 0.92 2.76 -0.99 -2.31 115.15 115.17 1pfh h HIS 76 Ca 0.22 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.30 1pfh h HIS 76 Cb 0.44 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.48 1pfh h HIS 76 CO -0.46 -0.15 -0.43 -0.07 -1.30 0.00 0.00 177.93 175.52 1pfh h LEU 77 N -0.21 0.00 0.53 0.26 3.38 -0.43 0.62 115.31 119.46 1pfh h LEU 77 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1pfh h LEU 77 Cb 0.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.97 1pfh h LEU 77 CO -0.04 0.43 -0.26 0.58 0.09 0.00 0.00 178.44 179.24 1pfh h VAL 78 N 0.00 0.46 -0.28 1.22 2.07 -0.66 -1.98 116.25 117.08 1pfh h VAL 78 Ca -0.00 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.45 1pfh h VAL 78 Cb 0.86 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 1pfh h VAL 78 CO 0.06 0.02 -0.15 0.11 0.02 0.00 0.00 177.57 177.63 1pfh h LYS 79 N -0.80 -0.11 -0.28 1.57 1.57 -1.07 -2.23 116.57 115.23 1pfh h LYS 79 Ca -0.07 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1pfh h LYS 79 Cb 0.58 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.86 1pfh h LYS 79 CO 0.12 -0.07 -0.11 1.25 -0.57 0.00 0.00 179.45 180.06 1pfh h LEU 80 N -0.11 -0.39 -0.53 2.94 6.46 -0.92 -0.60 115.31 122.16 1pfh h LEU 80 Ca 0.15 0.10 0.01 0.00 -0.12 0.00 0.00 57.88 58.02 1pfh h LEU 80 Cb 0.34 0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 1pfh h LEU 80 CO -0.35 -0.15 0.34 -0.03 -0.62 0.00 0.00 178.44 177.63 1pfh h MET 81 N -0.07 0.66 -0.33 1.25 4.05 -1.05 -2.74 114.93 116.71 1pfh h MET 81 Ca 0.14 -0.04 -0.13 0.00 -0.28 0.00 0.00 59.70 59.39 1pfh h MET 81 Cb 0.28 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1pfh h MET 81 CO -0.32 0.44 -0.32 0.00 0.23 0.00 0.00 176.91 176.94 1pfh h ALA 82 N 1.21 0.82 0.00 0.39 0.00 -0.74 -3.20 119.26 117.74 1pfh h ALA 82 Ca 0.20 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1pfh h ALA 82 Cb -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1pfh h ALA 82 CO -0.06 0.64 0.00 0.39 0.00 0.00 0.00 179.25 180.22 1pfh n GLU 83 N -4.07 0.98 -3.70 0.00 1.02 -0.31 -4.84 120.64 109.72 1pfh n GLU 83 Ca -0.01 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.77 1pfh n GLU 83 Cb 0.48 -1.03 -0.07 0.00 -0.02 0.00 0.00 31.44 30.81 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 -0.95 4.31 0.00 -4.62 1.43 -1.19 -5.06 118.68 112.60 1pfh s LEU 84 Ca 0.00 0.47 0.20 0.00 -1.03 0.00 0.00 54.13 53.77 1pfh s LEU 84 Cb 0.00 -2.22 0.15 0.00 0.03 0.00 0.00 46.19 44.15 1pfh s LEU 84 CO 0.00 0.25 1.12 -0.62 0.23 0.00 0.00 176.35 177.33