#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 2.34 -0.04 1.12 5.36 -1.09 -4.97 117.98 120.70 1pfh s PHE 2 Ca 0.00 -0.44 0.01 0.00 -0.96 0.00 0.00 56.93 55.55 1pfh s PHE 2 Cb 0.00 -1.51 0.02 0.00 -0.34 0.00 0.00 43.02 41.20 1pfh s PHE 2 CO 0.00 -0.04 -0.05 -0.65 -1.46 0.00 0.00 175.22 173.02 1pfh s GLN 3 N -0.61 0.88 -0.03 10.12 -0.21 -1.26 -0.66 119.66 127.90 1pfh s GLN 3 Ca 0.10 -0.13 0.04 0.00 0.02 0.00 0.00 55.36 55.39 1pfh s GLN 3 Cb -0.10 -0.87 -0.00 0.00 1.00 0.00 0.00 33.01 33.04 1pfh s GLN 3 CO -0.01 -0.07 -0.14 -0.65 -2.12 0.00 0.00 175.29 172.30 1pfh s GLN 4 N 0.88 1.39 -0.41 2.91 -0.21 -0.77 -4.98 119.66 118.48 1pfh s GLN 4 Ca -0.12 -0.50 -0.16 0.00 0.02 0.00 0.00 55.36 54.61 1pfh s GLN 4 Cb -0.14 -1.26 0.02 0.00 1.00 0.00 0.00 33.01 32.62 1pfh s GLN 4 CO 0.00 0.22 0.34 -1.21 -2.12 0.00 0.00 175.29 172.53 1pfh s GLU 5 N -0.01 3.03 0.17 2.91 2.02 -1.26 -0.62 118.70 124.95 1pfh s GLU 5 Ca -0.01 -0.92 0.11 0.00 0.02 0.00 0.00 54.97 54.18 1pfh s GLU 5 Cb -0.09 -3.97 -0.04 0.00 0.10 0.00 0.00 34.13 30.13 1pfh s GLU 5 CO 0.01 -0.77 -0.25 0.14 0.02 0.00 0.00 175.26 174.41 1pfh s VAL 6 N 1.84 2.35 -0.20 2.63 -7.23 -0.75 -4.91 120.40 114.13 1pfh s VAL 6 Ca 0.07 -1.93 -0.03 0.00 -1.81 0.00 0.00 61.98 58.28 1pfh s VAL 6 Cb -0.18 -2.10 -0.01 0.00 0.56 0.00 0.00 36.38 34.65 1pfh s VAL 6 CO 0.11 -0.05 -0.05 0.42 -0.31 0.00 0.00 175.10 175.22 1pfh s THR 7 N -1.47 3.37 -0.84 5.32 -4.23 -1.26 -0.82 115.64 115.72 1pfh s THR 7 Ca 0.19 -0.50 -0.26 0.00 -1.18 0.00 0.00 61.69 59.94 1pfh s THR 7 Cb -0.09 -2.52 0.04 0.00 1.34 0.00 0.00 72.50 71.27 1pfh s THR 7 CO 0.09 0.44 1.36 -0.63 -0.54 0.00 0.00 174.62 175.33 1pfh s ILE 8 N 1.26 3.78 0.16 2.99 1.01 -1.22 -4.86 121.20 124.32 1pfh s ILE 8 Ca 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.66 1pfh s ILE 8 Cb -0.14 -4.94 -0.14 0.00 0.01 0.00 0.00 42.46 37.25 1pfh s ILE 8 CO -0.02 -1.86 1.39 0.71 0.00 0.00 0.00 174.94 175.16 1pfh h THR 9 N 6.32 1.41 -2.69 2.92 1.35 -1.93 0.33 112.91 120.62 1pfh h THR 9 Ca -0.11 -2.32 -0.58 0.00 -0.55 0.00 0.00 66.41 62.85 1pfh h THR 9 Cb 1.04 2.27 0.08 0.00 -1.73 0.00 0.00 68.15 69.81 1pfh h THR 9 CO 1.33 0.69 0.65 0.00 -0.25 0.00 0.00 175.52 177.94 1pfh n ALA 10 N -2.51 1.23 -0.30 6.62 0.00 -1.26 -4.80 120.51 119.49 1pfh n ALA 10 Ca -0.05 0.41 0.14 0.00 0.00 0.00 0.00 53.44 53.94 1pfh n ALA 10 Cb 0.76 -2.29 0.31 0.00 0.00 0.00 0.00 19.45 18.23 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 4.38 0.23 0.00 0.00 0.11 -1.92 -3.27 132.00 131.54 1pfh h PRO 11 Ca -0.45 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 1pfh h PRO 11 Cb 1.27 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1pfh h PRO 11 CO 0.77 0.15 -1.41 0.27 -0.21 0.00 0.00 178.00 177.57 1pfh n ASN 12 N -5.19 3.21 0.00 -2.05 0.23 -1.26 -4.34 115.26 105.86 1pfh n ASN 12 Ca 0.22 -0.03 0.00 0.00 -0.53 0.00 0.00 54.58 54.25 1pfh n ASN 12 Cb 0.71 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.28 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 3.11 1.71 3.94 4.83 0.00 -1.23 -3.76 105.19 113.79 1pfh n GLY 13 Ca -0.13 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 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 4.17 0.23 0.99 1.43 -0.32 -4.76 118.68 120.42 1pfh s LEU 14 Ca 0.00 -0.03 -0.15 0.00 -1.03 0.00 0.00 54.13 52.92 1pfh s LEU 14 Cb 0.00 -2.73 0.27 0.00 0.03 0.00 0.00 46.19 43.76 1pfh s LEU 14 CO 0.00 -0.10 1.58 0.71 0.23 0.00 0.00 176.35 178.76 1pfh h THR 16 N 1.21 0.12 0.17 5.49 1.35 -1.92 0.19 112.91 119.52 1pfh h THR 16 Ca -0.51 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.35 1pfh h THR 16 Cb 1.23 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1pfh h THR 16 CO 0.60 0.00 -0.08 0.03 -0.25 0.00 0.00 175.52 175.82 1pfh h ARG 17 N -0.04 -0.22 -0.35 4.72 2.47 -1.96 -2.51 114.38 116.49 1pfh h ARG 17 Ca 0.35 0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 59.05 1pfh h ARG 17 Cb 0.60 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.95 1pfh h ARG 17 CO -0.85 0.20 0.07 -1.35 0.56 0.00 0.00 179.97 178.60 1pfh h PRO 18 N -0.82 0.52 -0.89 0.04 0.11 -1.83 -2.60 132.00 126.54 1pfh h PRO 18 Ca -0.02 -0.09 0.15 0.00 0.11 0.00 0.00 66.00 66.15 1pfh h PRO 18 Cb 0.52 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 31.48 1pfh h PRO 18 CO 0.04 0.49 0.57 0.00 -0.21 0.00 0.00 178.00 178.90 1pfh h ALA 19 N 1.57 1.88 -0.97 -0.75 0.00 -0.65 -1.77 119.26 118.57 1pfh h ALA 19 Ca 0.12 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1pfh h ALA 19 Cb 0.23 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1pfh h ALA 19 CO -0.00 -0.13 0.64 0.00 0.00 0.00 0.00 179.25 179.76 1pfh h ALA 20 N 1.60 1.29 -0.37 0.00 0.00 -1.03 -1.23 119.26 119.53 1pfh h ALA 20 Ca 0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 1pfh h ALA 20 Cb 0.78 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1pfh h ALA 20 CO -0.21 0.52 0.14 1.96 0.00 0.00 0.00 179.25 181.67 1pfh h GLN 21 N 1.23 0.55 -0.56 0.00 7.50 -1.41 -0.53 115.11 121.88 1pfh h GLN 21 Ca 0.39 -0.10 0.07 0.00 0.50 0.00 0.00 58.65 59.50 1pfh h GLN 21 Cb -0.00 -0.09 -0.06 0.00 0.05 0.00 0.00 27.48 27.38 1pfh h GLN 21 CO -0.12 0.54 0.24 0.35 -1.50 0.00 0.00 178.83 178.34 1pfh h PHE 22 N 0.45 0.43 0.02 2.96 3.04 -1.25 -2.08 116.94 120.51 1pfh h PHE 22 Ca 0.12 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.10 1pfh h PHE 22 Cb 0.19 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.60 1pfh h PHE 22 CO -0.00 0.16 -0.01 0.28 -2.02 0.00 0.00 178.31 176.72 1pfh h VAL 23 N 0.45 1.07 -0.65 1.41 2.07 -1.04 -2.19 116.25 117.38 1pfh h VAL 23 Ca 0.27 -0.29 0.13 0.00 0.82 0.00 0.00 66.70 67.63 1pfh h VAL 23 Cb 0.26 1.27 -0.10 0.00 -1.52 0.00 0.00 31.29 31.20 1pfh h VAL 23 CO -0.23 0.07 0.09 0.50 0.02 0.00 0.00 177.57 178.02 1pfh h LYS 24 N -0.15 0.19 -0.05 1.57 3.11 -0.43 0.21 116.57 121.02 1pfh h LYS 24 Ca -0.00 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 1pfh h LYS 24 Cb 0.14 -0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.33 1pfh h LYS 24 CO 0.00 0.13 -0.01 1.49 -2.81 0.00 0.00 179.45 178.26 1pfh h GLU 25 N 0.20 0.09 -0.98 1.90 4.57 -1.41 -3.25 114.58 115.70 1pfh h GLU 25 Ca 0.35 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.56 1pfh h GLU 25 Cb 0.56 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.08 1pfh h GLU 25 CO -0.49 0.42 0.64 0.00 -1.18 0.00 0.00 179.01 178.39 1pfh h ALA 26 N 0.67 1.42 -0.84 2.92 0.00 -0.71 -0.02 119.26 122.70 1pfh h ALA 26 Ca 0.01 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.10 1pfh h ALA 26 Cb 0.38 -0.30 -0.12 0.00 0.00 0.00 0.00 17.79 17.74 1pfh h ALA 26 CO 0.00 0.44 0.27 0.87 0.00 0.00 0.00 179.25 180.83 1pfh h LYS 27 N 1.15 0.29 -0.15 0.00 1.79 -0.52 -3.00 116.57 116.13 1pfh h LYS 27 Ca 0.42 -0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 58.74 1pfh h LYS 27 Cb 0.15 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1pfh h LYS 27 CO -0.16 0.19 -0.47 0.78 -1.08 0.00 0.00 179.45 178.71 1pfh h GLY 28 N 0.30 0.43 -2.84 3.86 0.00 -1.03 -3.45 103.07 100.34 1pfh h GLY 28 Ca 0.51 -0.46 -0.53 0.00 0.00 0.00 0.00 47.33 46.86 1pfh h GLY 28 CO -0.56 0.41 0.55 -1.36 0.00 0.00 0.00 176.54 175.58 1pfh s PHE 29 N -4.06 2.64 0.32 5.60 0.08 -1.13 -4.95 117.98 116.47 1pfh s PHE 29 Ca -0.06 1.46 0.03 0.00 0.12 0.00 0.00 56.93 58.47 1pfh s PHE 29 Cb 0.12 -3.58 0.53 0.00 -0.57 0.00 0.00 43.02 39.53 1pfh s PHE 29 CO 0.81 -2.12 1.85 1.79 -0.10 0.00 0.00 175.22 177.44 1pfh h THR 30 N 1.79 1.21 -3.97 0.64 1.35 -1.87 -3.43 112.91 108.62 1pfh h THR 30 Ca -0.50 -0.82 -0.51 0.00 -0.55 0.00 0.00 66.41 64.03 1pfh h THR 30 Cb 1.27 0.90 0.07 0.00 -1.73 0.00 0.00 68.15 68.65 1pfh h THR 30 CO 0.59 0.29 0.52 -0.94 -0.25 0.00 0.00 175.52 175.73 1pfh s SER 31 N -6.70 6.25 -0.29 5.36 1.04 -1.26 -4.76 113.70 113.34 1pfh s SER 31 Ca -0.08 2.41 -0.18 0.00 0.48 0.00 0.00 55.95 58.58 1pfh s SER 31 Cb 0.15 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.64 1pfh s SER 31 CO 0.78 -0.87 0.53 -0.70 0.98 0.00 0.00 173.24 173.95 1pfh s GLU 32 N -2.50 3.92 -0.61 4.02 2.12 0.05 -4.86 118.70 120.85 1pfh s GLU 32 Ca 0.61 0.17 -0.24 0.00 0.36 0.00 0.00 54.97 55.87 1pfh s GLU 32 Cb -0.32 -3.71 0.05 0.00 0.26 0.00 0.00 34.13 30.42 1pfh s GLU 32 CO 0.39 -0.46 0.99 0.42 -0.54 0.00 0.00 175.26 176.06 1pfh s ILE 33 N 2.37 4.29 -0.28 -3.70 -1.09 -1.25 -1.65 121.20 119.90 1pfh s ILE 33 Ca 0.21 0.09 -0.09 0.00 -2.23 0.00 0.00 60.65 58.62 1pfh s ILE 33 Cb -0.15 -4.63 -0.03 0.00 -1.58 0.00 0.00 42.46 36.06 1pfh s ILE 33 CO 0.11 -1.31 0.13 0.42 -1.23 0.00 0.00 174.94 173.06 1pfh s THR 34 N 4.19 4.74 -0.66 2.92 -4.23 -0.17 -0.33 115.64 122.09 1pfh s THR 34 Ca 0.28 -0.11 -0.16 0.00 -1.18 0.00 0.00 61.69 60.53 1pfh s THR 34 Cb -0.13 -3.28 0.16 0.00 1.34 0.00 0.00 72.50 70.58 1pfh s THR 34 CO 0.16 0.24 0.64 -0.69 -0.54 0.00 0.00 174.62 174.43 1pfh s VAL 35 N 1.67 5.32 -0.44 2.29 1.01 0.35 -0.88 120.40 129.72 1pfh s VAL 35 Ca 0.06 -1.83 -0.21 0.00 0.00 0.00 0.00 61.98 60.01 1pfh s VAL 35 Cb -0.16 -4.41 0.02 0.00 0.00 0.00 0.00 36.38 31.83 1pfh s VAL 35 CO 0.07 -0.97 0.66 -0.89 0.00 0.00 0.00 175.10 173.97 1pfh s THR 36 N 1.18 4.81 -0.57 3.92 2.01 -0.23 -1.03 115.64 125.73 1pfh s THR 36 Ca 0.10 0.18 -0.07 0.00 0.31 0.00 0.00 61.69 62.21 1pfh s THR 36 Cb -0.21 -4.21 0.15 0.00 0.01 0.00 0.00 72.50 68.23 1pfh s THR 36 CO -0.02 -0.60 0.43 -0.55 -0.69 0.00 0.00 174.62 173.20 1pfh s SER 37 N 2.01 5.68 -0.72 3.53 0.15 -0.05 -1.92 113.70 122.37 1pfh s SER 37 Ca 0.24 -2.36 -0.09 0.00 0.70 0.00 0.00 55.95 54.44 1pfh s SER 37 Cb -0.14 -1.98 0.01 0.00 -1.71 0.00 0.00 66.02 62.21 1pfh s SER 37 CO 0.19 -0.55 0.63 -0.46 1.20 0.00 0.00 173.24 174.25 1pfh n ASN 38 N 4.26 -5.47 0.00 5.45 0.23 -1.26 -1.93 115.26 116.54 1pfh n ASN 38 Ca 0.01 -0.63 0.00 0.00 -0.53 0.00 0.00 54.58 53.43 1pfh n ASN 38 Cb 0.41 -2.27 0.00 0.00 -2.08 0.00 0.00 39.78 35.84 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 -1.31 1.61 3.56 4.83 0.00 -1.26 -4.93 105.19 107.68 1pfh n GLY 39 Ca -0.22 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 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 3.15 -0.31 1.61 1.02 -0.81 -4.96 119.74 119.44 1pfh s LYS 40 Ca 0.00 -0.85 -0.29 0.00 0.02 0.00 0.00 55.97 54.85 1pfh s LYS 40 Cb 0.00 -5.25 -0.00 0.00 -0.52 0.00 0.00 37.83 32.06 1pfh s LYS 40 CO 0.00 -2.76 1.41 -1.12 -0.92 0.00 0.00 175.35 171.96 1pfh s SER 41 N 6.21 6.51 -0.21 2.83 0.01 -1.26 -0.88 113.70 126.91 1pfh s SER 41 Ca 0.57 1.20 -0.05 0.00 1.31 0.00 0.00 55.95 58.98 1pfh s SER 41 Cb -0.02 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 1pfh s SER 41 CO -0.04 -1.22 -0.00 0.00 0.41 0.00 0.00 173.24 172.38 1pfh s ALA 42 N 4.88 2.99 -0.10 1.44 0.00 -0.19 -4.95 121.76 125.82 1pfh s ALA 42 Ca 0.61 -1.06 -0.23 0.00 0.00 0.00 0.00 51.96 51.28 1pfh s ALA 42 Cb -0.18 -1.79 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 1pfh s ALA 42 CO 0.27 -0.27 0.70 0.45 0.00 0.00 0.00 175.76 176.91 1pfh s SER 43 N 1.21 6.93 -0.06 0.00 0.15 -1.26 -0.50 113.70 120.17 1pfh s SER 43 Ca 0.03 1.12 0.07 0.00 0.70 0.00 0.00 55.95 57.88 1pfh s SER 43 Cb -0.15 -2.40 0.32 0.00 -1.71 0.00 0.00 66.02 62.08 1pfh s SER 43 CO 0.01 -0.17 1.11 0.00 1.20 0.00 0.00 173.24 175.39 1pfh n ALA 44 N 4.14 2.86 1.12 5.45 0.00 0.55 -2.35 120.51 132.27 1pfh n ALA 44 Ca -0.01 -0.72 0.12 0.00 0.00 0.00 0.00 53.44 52.83 1pfh n ALA 44 Cb 0.51 -1.03 0.36 0.00 0.00 0.00 0.00 19.45 19.29 1pfh n ALA 44 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1pfh n LYS 45 N 0.33 1.91 -4.36 0.00 4.81 -1.26 -3.01 118.16 116.57 1pfh n LYS 45 Ca 0.11 -1.35 -0.26 0.00 -0.87 0.00 0.00 58.31 55.94 1pfh n LYS 45 Cb 0.51 -1.44 -0.17 0.00 0.02 0.00 0.00 35.03 33.95 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 -1.72 2.09 0.10 3.14 0.15 -0.99 -4.93 113.70 111.54 1pfh s SER 46 Ca 0.34 -0.34 -0.27 0.00 0.70 0.00 0.00 55.95 56.38 1pfh s SER 46 Cb 0.19 -0.91 -0.10 0.00 -1.71 0.00 0.00 66.02 63.49 1pfh s SER 46 CO 0.29 -0.01 1.65 -0.07 1.20 0.00 0.00 173.24 176.30 1pfh h LEU 47 N 7.43 -0.63 -0.21 3.45 -0.00 -1.88 -3.22 115.31 120.25 1pfh h LEU 47 Ca -0.31 0.07 0.03 0.00 -0.00 0.00 0.00 57.88 57.66 1pfh h LEU 47 Cb 1.17 0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 42.03 1pfh h LEU 47 CO 0.46 -0.33 0.04 -0.26 -0.00 0.00 0.00 178.44 178.36 1pfh h PHE 48 N -0.46 0.08 -0.32 1.13 0.04 -1.96 -2.56 116.94 112.88 1pfh h PHE 48 Ca 0.01 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 1pfh h PHE 48 Cb 0.45 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.59 1pfh h PHE 48 CO -0.19 0.03 0.19 0.87 -0.60 0.00 0.00 178.31 178.61 1pfh h LYS 49 N 0.13 0.44 -0.10 1.51 1.79 -1.82 -0.11 116.57 118.41 1pfh h LYS 49 Ca 0.09 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.49 1pfh h LYS 49 Cb 0.09 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1pfh h LYS 49 CO -0.12 0.34 -0.04 1.25 -1.08 0.00 0.00 179.45 179.80 1pfh h LEU 50 N 0.42 0.22 -0.81 2.94 5.85 -1.54 -3.19 115.31 119.19 1pfh h LEU 50 Ca 0.12 -0.41 0.06 0.00 0.84 0.00 0.00 57.88 58.49 1pfh h LEU 50 Cb 0.02 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 1pfh h LEU 50 CO -0.02 0.58 0.50 1.56 -0.34 0.00 0.00 178.44 180.71 1pfh h GLN 51 N -0.14 0.88 0.00 1.25 4.20 -1.22 -2.11 115.11 117.97 1pfh h GLN 51 Ca 0.02 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1pfh h GLN 51 Cb 0.49 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1pfh h GLN 51 CO 0.01 0.58 0.00 -2.37 -0.67 0.00 0.00 178.83 176.39 1pfh n THR 52 N -4.66 0.78 0.01 -0.54 5.66 -0.07 -3.26 114.28 112.20 1pfh n THR 52 Ca 0.11 0.14 -0.18 0.00 -3.05 0.00 0.00 64.05 61.07 1pfh n THR 52 Cb 0.17 -1.05 -0.10 0.00 -1.55 0.00 0.00 70.33 67.80 1pfh n THR 52 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1pfh h LEU 53 N 0.00 0.71 -2.98 1.09 5.85 -1.36 -3.50 115.31 115.11 1pfh h LEU 53 Ca 0.00 -0.73 0.00 0.00 0.84 0.00 0.00 57.88 57.99 1pfh h LEU 53 Cb 0.43 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1pfh h LEU 53 CO 0.00 1.34 -0.01 0.61 -0.34 0.00 0.00 178.44 180.04 1pfh n GLY 54 N 1.00 -1.24 3.42 3.75 0.00 -1.20 -4.96 105.19 105.95 1pfh n GLY 54 Ca -0.10 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1pfh n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pfh n LEU 55 N -0.37 5.32 0.00 0.99 4.77 -1.26 -4.95 117.00 121.51 1pfh n LEU 55 Ca 0.00 -4.12 -0.12 0.00 -0.03 0.00 0.00 56.01 51.75 1pfh n LEU 55 Cb 0.01 -1.69 0.07 0.00 -2.33 0.00 0.00 43.42 39.48 1pfh n LEU 55 CO 0.01 0.47 0.32 1.07 -1.33 0.00 0.00 177.39 177.93 1pfh n THR 56 N 5.65 0.00 -1.77 -5.08 5.66 -1.26 -1.18 114.28 116.30 1pfh n THR 56 Ca 0.46 -0.54 -0.39 0.00 -3.05 0.00 0.00 64.05 60.52 1pfh n THR 56 Cb 0.44 -1.52 0.03 0.00 -1.55 0.00 0.00 70.33 67.73 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 -3.97 3.44 0.00 1.09 0.74 -1.25 -3.85 119.66 115.86 1pfh s GLN 57 Ca 0.31 2.37 0.00 0.00 0.05 0.00 0.00 55.36 58.09 1pfh s GLN 57 Cb -0.01 -2.49 0.00 0.00 1.10 0.00 0.00 33.01 31.61 1pfh s GLN 57 CO 0.21 -0.99 0.00 0.41 -0.55 0.00 0.00 175.29 174.37 1pfh n GLY 58 N 0.64 2.24 3.53 2.59 0.00 0.11 -4.97 105.19 109.34 1pfh n GLY 58 Ca 0.07 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 0.08 -1.95 2.61 -2.24 -1.25 -4.51 114.28 107.02 1pfh n THR 59 Ca 0.00 -0.49 -0.43 0.00 -2.27 0.00 0.00 64.05 60.86 1pfh n THR 59 Cb 0.00 -2.15 -0.03 0.00 -2.10 0.00 0.00 70.33 66.05 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 9.77 3.44 -0.20 2.28 1.01 -1.26 -3.43 120.40 132.01 1pfh s VAL 60 Ca 1.07 0.48 0.01 0.00 0.00 0.00 0.00 61.98 63.53 1pfh s VAL 60 Cb -0.53 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.36 1pfh s VAL 60 CO 0.37 -0.27 -0.17 0.68 0.00 0.00 0.00 175.10 175.71 1pfh s VAL 61 N 6.33 2.19 -0.73 2.92 -7.23 0.00 -4.57 120.40 119.31 1pfh s VAL 61 Ca 0.81 -1.04 -0.27 0.00 -1.81 0.00 0.00 61.98 59.67 1pfh s VAL 61 Cb -0.27 -2.00 0.03 0.00 0.56 0.00 0.00 36.38 34.71 1pfh s VAL 61 CO 0.33 0.42 1.26 -0.89 -0.31 0.00 0.00 175.10 175.92 1pfh s THR 62 N 1.27 3.76 -0.58 5.32 2.01 -0.81 -1.80 115.64 124.81 1pfh s THR 62 Ca 0.02 0.42 -0.21 0.00 0.31 0.00 0.00 61.69 62.24 1pfh s THR 62 Cb -0.14 -4.90 0.07 0.00 0.01 0.00 0.00 72.50 67.54 1pfh s THR 62 CO -0.11 -1.81 0.78 -0.63 -0.69 0.00 0.00 174.62 172.16 1pfh s ILE 63 N 5.63 4.65 -0.19 1.82 1.01 0.21 -1.07 121.20 133.27 1pfh s ILE 63 Ca 0.35 -0.51 -0.09 0.00 0.00 0.00 0.00 60.65 60.40 1pfh s ILE 63 Cb -0.08 -4.49 -0.05 0.00 0.01 0.00 0.00 42.46 37.85 1pfh s ILE 63 CO 0.16 -1.11 0.13 -0.44 0.00 0.00 0.00 174.94 173.67 1pfh s SER 64 N 3.25 6.22 -0.35 3.58 0.01 -0.06 -1.84 113.70 124.52 1pfh s SER 64 Ca 0.18 0.26 -0.03 0.00 1.31 0.00 0.00 55.95 57.67 1pfh s SER 64 Cb -0.19 -2.08 0.07 0.00 0.21 0.00 0.00 66.02 64.03 1pfh s SER 64 CO 0.11 0.22 0.10 0.00 0.41 0.00 0.00 173.24 174.08 1pfh s ALA 65 N 0.13 3.00 -0.70 1.44 0.00 0.17 -1.00 121.76 124.80 1pfh s ALA 65 Ca 0.09 -2.08 -0.11 0.00 0.00 0.00 0.00 51.96 49.86 1pfh s ALA 65 Cb -0.11 -2.19 0.18 0.00 0.00 0.00 0.00 23.12 21.00 1pfh s ALA 65 CO -0.01 -1.50 0.60 -2.00 0.00 0.00 0.00 175.76 172.85 1pfh s GLU 66 N 1.23 3.13 0.00 0.00 2.12 -0.66 -2.67 118.70 121.86 1pfh s GLU 66 Ca 0.01 -2.32 0.00 0.00 0.36 0.00 0.00 54.97 53.02 1pfh s GLU 66 Cb -0.21 -4.17 0.00 0.00 0.26 0.00 0.00 34.13 30.01 1pfh s GLU 66 CO -0.02 -1.25 0.00 0.41 -0.54 0.00 0.00 175.26 173.86 1pfh n GLY 67 N 4.10 -1.13 0.11 -1.50 0.00 -1.26 -0.77 105.19 104.73 1pfh n GLY 67 Ca 0.07 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.17 -1.57 1.61 5.08 -1.93 -3.13 114.58 114.47 1pfh h GLU 68 Ca 0.00 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1pfh h GLU 68 Cb 0.00 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1pfh h GLU 68 CO 0.00 0.02 0.10 -0.40 -1.00 0.00 0.00 179.01 177.72 1pfh n ASP 69 N -5.10 4.74 0.00 1.42 5.68 -1.26 -4.75 116.55 117.28 1pfh n ASP 69 Ca -0.09 -2.44 0.00 0.00 -0.50 0.00 0.00 54.79 51.77 1pfh n ASP 69 Cb 0.15 -0.91 0.00 0.00 -1.14 0.00 0.00 41.12 39.22 1pfh n ASP 69 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1pfh n GLU 70 N 0.89 0.00 -0.20 0.11 0.28 -1.18 -1.47 120.64 119.07 1pfh n GLU 70 Ca 0.07 0.73 0.01 0.00 -0.16 0.00 0.00 57.16 57.81 1pfh n GLU 70 Cb 0.56 -1.37 0.10 0.00 1.43 0.00 0.00 31.44 32.16 1pfh n GLU 70 CO 0.00 0.00 0.00 -0.56 -0.16 0.00 0.00 177.13 176.41 1pfh h GLN 71 N 0.00 0.13 -0.22 3.44 -0.00 -1.90 -2.50 115.11 114.06 1pfh h GLN 71 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.63 1pfh h GLN 71 Cb 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 27.44 1pfh h GLN 71 CO 0.00 0.09 0.09 0.87 -0.00 0.00 0.00 178.83 179.88 1pfh h LYS 72 N 0.14 0.33 -0.51 0.06 1.57 -1.89 -1.26 116.57 115.01 1pfh h LYS 72 Ca 0.31 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 59.09 1pfh h LYS 72 Cb 0.50 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.70 1pfh h LYS 72 CO -0.49 0.38 0.23 0.00 -0.57 0.00 0.00 179.45 178.99 1pfh h ALA 73 N 0.94 0.64 0.39 3.86 0.00 -0.84 0.46 119.26 124.72 1pfh h ALA 73 Ca 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1pfh h ALA 73 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1pfh h ALA 73 CO -0.01 -0.15 -0.19 0.28 0.00 0.00 0.00 179.25 179.19 1pfh h VAL 74 N 0.44 0.51 -0.61 0.00 2.07 -1.21 -2.55 116.25 114.90 1pfh h VAL 74 Ca 0.23 -0.56 0.12 0.00 0.82 0.00 0.00 66.70 67.31 1pfh h VAL 74 Cb 0.19 0.74 -0.09 0.00 -1.52 0.00 0.00 31.29 30.61 1pfh h VAL 74 CO -0.20 0.09 0.09 -0.08 0.02 0.00 0.00 177.57 177.50 1pfh h GLU 75 N -0.89 0.21 0.28 1.57 4.81 -1.07 0.12 114.58 119.60 1pfh h GLU 75 Ca -0.05 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1pfh h GLU 75 Cb 0.55 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1pfh h GLU 75 CO 0.09 0.14 -0.45 1.25 -0.73 0.00 0.00 179.01 179.31 1pfh h HIS 76 N 0.21 -1.28 -0.24 0.92 2.76 -0.92 -0.57 115.15 116.03 1pfh h HIS 76 Ca 0.32 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.46 1pfh h HIS 76 Cb 0.50 0.52 -0.01 0.00 1.55 0.00 0.00 27.41 29.96 1pfh h HIS 76 CO -0.28 -0.55 -0.08 -0.07 -1.30 0.00 0.00 177.93 175.65 1pfh h LEU 77 N -0.77 0.35 0.58 0.26 3.38 -0.94 0.79 115.31 118.95 1pfh h LEU 77 Ca -0.03 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1pfh h LEU 77 Cb 0.71 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.38 1pfh h LEU 77 CO -0.15 0.48 -0.28 0.58 0.09 0.00 0.00 178.44 179.16 1pfh h VAL 78 N 0.36 0.40 -0.28 1.22 2.07 -0.89 -1.50 116.25 117.63 1pfh h VAL 78 Ca 0.07 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1pfh h VAL 78 Cb 0.37 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1pfh h VAL 78 CO 0.02 0.02 0.09 0.50 0.02 0.00 0.00 177.57 178.22 1pfh h LYS 79 N -0.88 0.20 -0.12 1.57 3.64 -0.57 -1.47 116.57 118.95 1pfh h LYS 79 Ca -0.08 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1pfh h LYS 79 Cb 0.63 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.36 1pfh h LYS 79 CO 0.13 0.13 -0.16 1.25 -2.27 0.00 0.00 179.45 178.54 1pfh h LEU 80 N 0.21 -0.49 -0.57 5.20 5.85 -0.89 -0.19 115.31 124.43 1pfh h LEU 80 Ca 0.12 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.97 1pfh h LEU 80 Cb 0.10 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1pfh h LEU 80 CO -0.13 -0.21 0.32 -0.03 -0.34 0.00 0.00 178.44 178.05 1pfh h MET 81 N -0.20 0.60 -0.19 1.25 4.05 -1.03 -1.83 114.93 117.59 1pfh h MET 81 Ca 0.09 -0.04 -0.09 0.00 -0.28 0.00 0.00 59.70 59.38 1pfh h MET 81 Cb 0.33 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 1pfh h MET 81 CO -0.24 0.40 -0.29 0.00 0.23 0.00 0.00 176.91 177.01 1pfh h ALA 82 N 1.28 1.14 -0.00 0.39 0.00 -0.49 -3.09 119.26 118.50 1pfh h ALA 82 Ca 0.24 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1pfh h ALA 82 Cb 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1pfh h ALA 82 CO -0.13 0.55 -0.80 0.93 0.00 0.00 0.00 179.25 179.79 1pfh h GLU 83 N 0.33 0.03 -6.66 0.00 5.08 -0.62 -3.47 114.58 109.27 1pfh h GLU 83 Ca 0.05 -0.03 -0.53 0.00 -1.00 0.00 0.00 59.36 57.85 1pfh h GLU 83 Cb 0.69 0.01 0.04 0.00 0.50 0.00 0.00 28.75 29.98 1pfh h GLU 83 CO 0.05 0.81 0.72 -0.51 -1.00 0.00 0.00 179.01 179.08 1pfh s LEU 84 N -7.24 4.39 0.00 1.33 1.43 -0.73 -5.10 118.68 112.77 1pfh s LEU 84 Ca -0.01 2.47 0.15 0.00 -1.03 0.00 0.00 54.13 55.72 1pfh s LEU 84 Cb 0.11 -3.61 0.12 0.00 0.03 0.00 0.00 46.19 42.85 1pfh s LEU 84 CO 0.79 -0.63 0.99 -0.62 0.23 0.00 0.00 176.35 177.11