#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fad s THR 2 N 0.00 4.30 0.32 6.66 -4.23 -1.26 -4.97 115.64 116.46 2fad s THR 2 Ca 0.00 -0.77 -0.00 0.00 -1.18 0.00 0.00 61.69 59.74 2fad s THR 2 Cb 0.00 -3.54 0.26 0.00 1.34 0.00 0.00 72.50 70.57 2fad s THR 2 CO 0.00 -0.28 1.99 0.40 -0.54 0.00 0.00 174.62 176.19 2fad h ILE 3 N 0.74 1.19 -0.43 2.99 1.08 -2.00 -1.22 117.51 119.85 2fad h ILE 3 Ca -0.47 -0.34 0.02 0.00 -0.39 0.00 0.00 64.86 63.68 2fad h ILE 3 Cb 1.25 0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 35.07 2fad h ILE 3 CO 0.56 0.18 0.24 -0.08 -0.69 0.00 0.00 178.15 178.37 2fad h GLU 4 N 1.00 0.47 -0.56 2.37 4.81 -1.96 0.18 114.58 120.89 2fad h GLU 4 Ca 0.27 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.38 2fad h GLU 4 Cb -0.11 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 2fad h GLU 4 CO -0.06 0.31 -0.03 0.93 -0.73 0.00 0.00 179.01 179.43 2fad h GLU 5 N 0.49 1.00 -0.19 1.92 5.08 -1.78 -1.24 114.58 119.85 2fad h GLU 5 Ca 0.18 -0.32 -0.20 0.00 -1.00 0.00 0.00 59.36 58.02 2fad h GLU 5 Cb 0.04 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.21 2fad h GLU 5 CO -0.10 1.00 -0.67 0.00 -1.00 0.00 0.00 179.01 178.24 2fad h ARG 6 N 0.91 0.79 -0.16 2.33 3.08 -0.91 -2.03 114.38 118.38 2fad h ARG 6 Ca 0.16 -0.60 -0.03 0.00 0.07 0.00 0.00 59.98 59.58 2fad h ARG 6 Cb 0.57 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 2fad h ARG 6 CO 0.03 1.21 -0.01 0.28 -1.07 0.00 0.00 179.97 180.42 2fad h VAL 7 N 0.53 1.26 -0.95 2.04 2.07 -0.63 -2.64 116.25 117.93 2fad h VAL 7 Ca -0.03 -0.88 0.05 0.00 0.82 0.00 0.00 66.70 66.66 2fad h VAL 7 Cb 1.29 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 32.52 2fad h VAL 7 CO 0.14 0.26 0.62 0.11 0.02 0.00 0.00 177.57 178.73 2fad h LYS 8 N 0.03 1.13 -0.21 1.57 1.57 -1.25 -1.48 116.57 117.93 2fad h LYS 8 Ca 0.05 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2fad h LYS 8 Cb 0.40 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2fad h LYS 8 CO 0.01 0.75 0.13 -0.22 -0.57 0.00 0.00 179.45 179.55 2fad h LYS 9 N 1.17 0.29 -0.71 3.15 3.64 -1.29 -1.55 116.57 121.26 2fad h LYS 9 Ca 0.39 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2fad h LYS 9 Cb 0.06 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2fad h LYS 9 CO -0.13 0.23 0.42 0.82 -2.27 0.00 0.00 179.45 178.52 2fad h ILE 10 N 0.26 1.20 -0.20 2.00 2.04 -1.05 -1.29 117.51 120.47 2fad h ILE 10 Ca 0.08 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.49 2fad h ILE 10 Cb 0.02 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 2fad h ILE 10 CO -0.01 0.21 0.11 0.40 0.00 0.00 0.00 178.15 178.86 2fad h ILE 11 N 0.97 1.02 -0.38 -0.67 2.04 -1.12 0.97 117.51 120.34 2fad h ILE 11 Ca 0.25 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 66.06 2fad h ILE 11 Cb -0.02 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2fad h ILE 11 CO -0.05 0.04 0.17 1.23 0.00 0.00 0.00 178.15 179.55 2fad h GLY 12 N 0.24 0.50 0.94 5.37 0.00 -1.01 0.26 103.07 109.36 2fad h GLY 12 Ca 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 2fad h GLY 12 CO -0.04 0.08 0.15 -2.09 0.00 0.00 0.00 176.54 174.64 2fad h GLU 13 N 0.36 0.51 -0.60 4.80 4.57 -0.89 0.92 114.58 124.24 2fad h GLU 13 Ca 0.16 -0.08 -0.09 0.00 -1.18 0.00 0.00 59.36 58.17 2fad h GLU 13 Cb 0.09 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 2fad h GLU 13 CO -0.13 0.48 0.02 1.96 -1.18 0.00 0.00 179.01 180.17 2fad h GLN 14 N 0.42 1.03 -0.01 1.92 1.08 -0.61 -3.17 115.11 115.79 2fad h GLN 14 Ca 0.12 -0.31 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 2fad h GLN 14 Cb 0.15 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 2fad h GLN 14 CO -0.01 1.00 -0.40 1.28 -0.95 0.00 0.00 178.83 179.75 2fad n LEU 15 N -4.19 1.09 -2.20 1.46 4.77 0.06 -4.96 117.00 113.03 2fad n LEU 15 Ca 0.03 -0.31 -0.16 0.00 -0.03 0.00 0.00 56.01 55.54 2fad n LEU 15 Cb 0.33 -0.12 0.03 0.00 -2.33 0.00 0.00 43.42 41.33 2fad n LEU 15 CO 0.44 0.21 -0.00 0.61 -1.33 0.00 0.00 177.39 177.32 2fad n GLY 16 N 1.40 -0.17 3.44 -0.72 0.00 0.28 -4.99 105.19 104.42 2fad n GLY 16 Ca 0.10 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 2fad n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2fad s VAL 17 N -2.99 2.72 0.53 1.61 -7.23 -0.96 -5.05 120.40 109.02 2fad s VAL 17 Ca 0.21 -1.11 -0.21 0.00 -1.81 0.00 0.00 61.98 59.06 2fad s VAL 17 Cb -0.09 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 2fad s VAL 17 CO 0.26 0.41 1.26 -1.59 -0.31 0.00 0.00 175.10 175.13 2fad s LYS 18 N -1.22 3.31 0.24 4.82 -2.85 -1.26 -4.57 119.74 118.21 2fad s LYS 18 Ca 0.13 1.98 -0.05 0.00 -1.00 0.00 0.00 55.97 57.04 2fad s LYS 18 Cb -0.10 -2.23 0.41 0.00 -2.06 0.00 0.00 37.83 33.85 2fad s LYS 18 CO 0.04 -0.98 1.75 1.96 0.10 0.00 0.00 175.35 178.22 2fad h GLN 19 N 1.52 0.51 0.00 1.78 1.08 -1.95 -0.51 115.11 117.55 2fad h GLN 19 Ca -0.50 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.67 2fad h GLN 19 Cb 1.28 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 2fad h GLN 19 CO 0.58 0.34 0.00 -0.85 -0.95 0.00 0.00 178.83 177.95 2fad n GLU 20 N -4.93 0.12 0.05 1.46 0.00 -1.26 -1.68 120.64 114.41 2fad n GLU 20 Ca 0.13 0.55 0.12 0.00 0.00 0.00 0.00 57.16 57.95 2fad n GLU 20 Cb 0.35 -1.84 0.12 0.00 0.00 0.00 0.00 31.44 30.08 2fad n GLU 20 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2fad n GLU 21 N -2.09 0.30 -3.02 3.44 2.13 -0.20 -4.62 120.64 116.58 2fad n GLU 21 Ca -0.00 0.06 -0.44 0.00 0.66 0.00 0.00 57.16 57.43 2fad n GLU 21 Cb 0.08 -1.66 -0.01 0.00 0.27 0.00 0.00 31.44 30.12 2fad n GLU 21 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2fad s VAL 22 N -3.18 5.14 0.26 6.31 1.01 -0.67 -4.93 120.40 124.33 2fad s VAL 22 Ca 0.05 -2.48 -0.03 0.00 0.00 0.00 0.00 61.98 59.52 2fad s VAL 22 Cb 0.14 -4.81 -0.05 0.00 0.00 0.00 0.00 36.38 31.66 2fad s VAL 22 CO 0.75 -1.49 0.49 0.42 0.00 0.00 0.00 175.10 175.26 2fad s THR 23 N 1.35 5.11 0.58 3.92 -4.23 -1.26 -4.99 115.64 116.12 2fad s THR 23 Ca 0.37 -0.18 0.28 0.00 -1.18 0.00 0.00 61.69 60.98 2fad s THR 23 Cb -0.05 -3.75 0.37 0.00 1.34 0.00 0.00 72.50 70.41 2fad s THR 23 CO -0.04 -0.29 2.02 0.78 -0.54 0.00 0.00 174.62 176.55 2fad h ASN 24 N 1.70 0.00 0.23 3.99 4.21 -1.94 -1.79 115.58 121.98 2fad h ASN 24 Ca -0.48 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.03 2fad h ASN 24 Cb 1.19 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.39 2fad h ASN 24 CO 0.66 0.00 -0.71 -0.46 -1.29 0.00 0.00 177.43 175.64 2fad n ASN 25 N -3.82 0.85 -4.75 5.81 0.23 -1.26 -0.70 115.26 111.62 2fad n ASN 25 Ca 0.04 -0.70 -0.41 0.00 -0.53 0.00 0.00 54.58 52.98 2fad n ASN 25 Cb 0.46 0.59 -0.01 0.00 -2.08 0.00 0.00 39.78 38.74 2fad n ASN 25 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2fad s ALA 26 N -2.94 3.72 -0.10 -2.53 0.00 -0.67 -4.79 121.76 114.45 2fad s ALA 26 Ca 0.11 1.55 -0.22 0.00 0.00 0.00 0.00 51.96 53.40 2fad s ALA 26 Cb 0.17 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 2fad s ALA 26 CO 0.76 -0.97 0.64 0.45 0.00 0.00 0.00 175.76 176.64 2fad s SER 27 N 0.41 6.88 0.13 0.00 0.15 -1.26 -1.84 113.70 118.16 2fad s SER 27 Ca 0.62 1.05 -0.22 0.00 0.70 0.00 0.00 55.95 58.10 2fad s SER 27 Cb -0.47 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.44 2fad s SER 27 CO 0.49 -0.11 1.68 -0.26 1.20 0.00 0.00 173.24 176.24 2fad h PHE 28 N 6.84 -0.32 0.00 3.44 -1.00 -1.75 0.53 116.94 124.67 2fad h PHE 28 Ca -0.40 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.39 2fad h PHE 28 Cb 1.18 0.16 -0.00 0.00 3.61 0.00 0.00 35.95 40.91 2fad h PHE 28 CO 0.65 -0.19 -0.06 0.28 -1.61 0.00 0.00 178.31 177.38 2fad h VAL 29 N -0.16 1.51 -0.29 -0.55 2.07 -1.82 -1.53 116.25 115.48 2fad h VAL 29 Ca 0.09 -2.15 -0.15 0.00 0.82 0.00 0.00 66.70 65.31 2fad h VAL 29 Cb 0.28 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 2fad h VAL 29 CO -0.22 0.51 -0.41 -0.33 0.02 0.00 0.00 177.57 177.14 2fad h GLU 30 N -1.00 0.70 0.00 1.57 5.08 -1.92 -3.03 114.58 115.99 2fad h GLU 30 Ca -0.02 -0.37 -0.38 0.00 -1.00 0.00 0.00 59.36 57.60 2fad h GLU 30 Cb 0.88 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.08 2fad h GLU 30 CO -0.01 0.99 -2.38 -0.25 -1.00 0.00 0.00 179.01 176.36 2fad n ASP 31 N -4.03 2.06 -0.70 1.42 8.00 -0.22 -4.57 116.55 118.51 2fad n ASP 31 Ca -0.02 -0.02 0.10 0.00 0.71 0.00 0.00 54.79 55.56 2fad n ASP 31 Cb 0.54 -0.47 0.32 0.00 -0.02 0.00 0.00 41.12 41.49 2fad n ASP 31 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2fad n LEU 32 N -3.43 2.09 -0.89 0.64 4.77 0.01 -4.95 117.00 115.24 2fad n LEU 32 Ca -0.44 -0.89 -0.12 0.00 -0.03 0.00 0.00 56.01 54.53 2fad n LEU 32 Cb 0.93 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.82 2fad n LEU 32 CO 0.19 0.45 -0.11 0.61 -1.33 0.00 0.00 177.39 177.19 2fad n GLY 33 N 1.21 1.23 3.77 -0.72 0.00 -1.00 -4.93 105.19 104.75 2fad n GLY 33 Ca 0.17 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 2fad n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fad s ALA 34 N -2.28 3.61 0.44 4.61 0.00 -0.61 -4.97 121.76 122.56 2fad s ALA 34 Ca 0.00 1.55 0.05 0.00 0.00 0.00 0.00 51.96 53.57 2fad s ALA 34 Cb 0.00 -3.61 0.05 0.00 0.00 0.00 0.00 23.12 19.56 2fad s ALA 34 CO 0.00 -1.01 0.43 -0.40 0.00 0.00 0.00 175.76 174.78 2fad n ASP 35 N 0.93 2.14 -0.06 0.00 5.68 -1.26 -4.62 116.55 119.35 2fad n ASP 35 Ca 0.03 -2.40 -0.07 0.00 -0.50 0.00 0.00 54.79 51.85 2fad n ASP 35 Cb 0.39 -0.14 -0.01 0.00 -1.14 0.00 0.00 41.12 40.22 2fad n ASP 35 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2fad h SER 36 N 0.36 -0.50 -0.62 -1.12 0.02 -2.01 -2.20 113.55 107.49 2fad h SER 36 Ca -0.25 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 2fad h SER 36 Cb 1.00 0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.77 2fad h SER 36 CO 0.39 -0.19 0.33 0.25 -1.14 0.00 0.00 176.83 176.47 2fad h LEU 37 N -0.12 0.79 -0.90 5.07 5.85 -2.01 -2.73 115.31 121.27 2fad h LEU 37 Ca 0.14 -0.11 0.19 0.00 0.84 0.00 0.00 57.88 58.95 2fad h LEU 37 Cb 0.34 -0.20 -0.11 0.00 0.37 0.00 0.00 40.66 41.05 2fad h LEU 37 CO -0.34 0.67 0.45 0.44 -0.34 0.00 0.00 178.44 179.32 2fad h ASP 38 N 0.85 0.48 -0.05 1.25 3.32 -1.80 -0.22 116.42 120.25 2fad h ASP 38 Ca 0.22 0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.41 2fad h ASP 38 Cb 0.07 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 2fad h ASP 38 CO -0.03 0.12 -0.09 0.74 -1.72 0.00 0.00 179.24 178.25 2fad h THR 39 N 0.54 0.75 -0.10 0.35 2.02 -1.10 0.16 112.91 115.52 2fad h THR 39 Ca 0.53 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.71 2fad h THR 39 Cb 0.91 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2fad h THR 39 CO -0.45 0.00 0.06 0.58 0.37 0.00 0.00 175.52 176.08 2fad h VAL 40 N -0.14 1.08 -0.32 3.16 2.07 -1.05 -2.08 116.25 118.98 2fad h VAL 40 Ca 0.05 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 2fad h VAL 40 Cb 0.21 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2fad h VAL 40 CO -0.13 0.07 -0.16 -0.33 0.02 0.00 0.00 177.57 177.04 2fad h GLU 41 N 0.09 0.56 -0.01 1.57 5.08 -0.97 -2.07 114.58 118.83 2fad h GLU 41 Ca 0.04 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2fad h GLU 41 Cb 0.06 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2fad h GLU 41 CO -0.01 0.70 -0.00 1.25 -1.00 0.00 0.00 179.01 179.95 2fad h LEU 42 N 0.51 0.02 -0.54 1.33 5.85 -0.55 -1.64 115.31 120.29 2fad h LEU 42 Ca 0.09 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.52 2fad h LEU 42 Cb 0.56 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 2fad h LEU 42 CO 0.04 0.34 0.29 0.58 -0.34 0.00 0.00 178.44 179.35 2fad h VAL 43 N -0.31 0.99 -0.06 1.05 2.07 -1.34 -1.50 116.25 117.15 2fad h VAL 43 Ca 0.00 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 2fad h VAL 43 Cb 0.33 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2fad h VAL 43 CO 0.00 0.10 -0.35 0.24 0.02 0.00 0.00 177.57 177.58 2fad h MET 44 N 0.57 0.12 -0.40 1.57 2.86 -1.33 -1.09 114.93 117.23 2fad h MET 44 Ca 0.23 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.75 2fad h MET 44 Cb 0.11 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2fad h MET 44 CO -0.14 0.47 -0.05 0.00 1.06 0.00 0.00 176.91 178.24 2fad h ALA 45 N 1.53 0.54 -0.12 6.32 0.00 -0.58 -1.84 119.26 125.12 2fad h ALA 45 Ca 0.01 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 2fad h ALA 45 Cb 0.68 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2fad h ALA 45 CO 0.05 0.37 -0.59 -0.07 0.00 0.00 0.00 179.25 179.01 2fad h LEU 46 N 0.55 0.44 -0.86 0.00 3.38 -1.14 -1.96 115.31 115.73 2fad h LEU 46 Ca 0.11 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 2fad h LEU 46 Cb 0.55 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2fad h LEU 46 CO 0.03 0.93 0.16 -0.33 0.09 0.00 0.00 178.44 179.32 2fad h GLU 47 N 0.29 1.01 -0.02 1.13 5.08 -1.12 -2.17 114.58 118.78 2fad h GLU 47 Ca -0.00 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2fad h GLU 47 Cb 1.11 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 2fad h GLU 47 CO 0.10 0.89 -0.03 1.49 -1.00 0.00 0.00 179.01 180.47 2fad h GLU 48 N 0.97 0.05 -0.68 2.33 4.57 -1.19 -1.78 114.58 118.85 2fad h GLU 48 Ca 0.21 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.38 2fad h GLU 48 Cb 0.34 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 2fad h GLU 48 CO -0.00 0.56 0.42 1.49 -1.18 0.00 0.00 179.01 180.30 2fad h GLU 49 N -0.45 0.81 -0.70 1.92 4.57 -1.33 -2.92 114.58 116.48 2fad h GLU 49 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2fad h GLU 49 Cb 0.55 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2fad h GLU 49 CO 0.01 0.53 0.00 1.19 -1.18 0.00 0.00 179.01 179.56 2fad n PHE 50 N -4.68 1.22 -3.99 0.92 3.01 -0.82 -4.99 117.46 108.13 2fad n PHE 50 Ca 0.07 -0.55 -0.32 0.00 1.01 0.00 0.00 57.45 57.66 2fad n PHE 50 Cb 0.09 -0.11 -0.01 0.00 -0.01 0.00 0.00 39.48 39.43 2fad n PHE 50 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2fad n ASP 51 N 1.43 -1.85 -3.70 4.37 2.03 -0.71 -4.63 116.55 113.48 2fad n ASP 51 Ca 0.25 -1.12 -0.11 0.00 0.52 0.00 0.00 54.79 54.33 2fad n ASP 51 Cb 0.75 -2.57 -0.11 0.00 -0.72 0.00 0.00 41.12 38.47 2fad n ASP 51 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2fad s THR 52 N -3.86 -0.02 -0.14 5.18 -1.32 -0.93 -4.81 115.64 109.75 2fad s THR 52 Ca 0.20 0.07 -0.15 0.00 -1.21 0.00 0.00 61.69 60.60 2fad s THR 52 Cb -0.09 -0.60 -0.05 0.00 -1.51 0.00 0.00 72.50 70.25 2fad s THR 52 CO 0.92 0.03 0.36 -1.61 -2.21 0.00 0.00 174.62 172.11 2fad s GLU 53 N 1.12 4.25 -0.16 7.08 0.41 -1.26 -4.39 118.70 125.74 2fad s GLU 53 Ca -0.07 0.22 -0.05 0.00 -0.41 0.00 0.00 54.97 54.67 2fad s GLU 53 Cb -0.07 -3.41 -0.03 0.00 -1.78 0.00 0.00 34.13 28.84 2fad s GLU 53 CO -0.10 0.25 -0.00 -1.50 -0.49 0.00 0.00 175.26 173.42 2fad s ILE 54 N 0.40 4.21 0.36 -1.63 2.07 -1.26 -5.08 121.20 120.27 2fad s ILE 54 Ca 0.20 -0.25 -0.28 0.00 -1.41 0.00 0.00 60.65 58.91 2fad s ILE 54 Cb -0.14 -2.86 -0.11 0.00 0.13 0.00 0.00 42.46 39.48 2fad s ILE 54 CO 0.06 0.49 1.44 -2.65 -1.91 0.00 0.00 174.94 172.38 2fad n PRO 55 N 3.43 2.53 -0.18 3.50 -0.02 -1.26 -4.77 135.00 138.22 2fad n PRO 55 Ca -0.17 0.89 0.06 0.00 -2.02 0.00 0.00 63.50 62.26 2fad n PRO 55 Cb 0.52 -2.58 0.35 0.00 -0.02 0.00 0.00 33.50 31.78 2fad n PRO 55 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2fad h ASP 56 N 2.92 0.66 0.18 2.55 3.32 -1.99 -0.44 116.42 123.62 2fad h ASP 56 Ca -0.49 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.47 2fad h ASP 56 Cb 1.25 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 2fad h ASP 56 CO 0.64 0.43 -0.34 -0.33 -1.72 0.00 0.00 179.24 177.92 2fad h GLU 57 N 0.75 0.25 -0.16 3.56 4.39 -2.00 -2.29 114.58 119.08 2fad h GLU 57 Ca 0.31 -0.10 -0.18 0.00 0.34 0.00 0.00 59.36 59.73 2fad h GLU 57 Cb 0.26 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2fad h GLU 57 CO -0.10 0.56 -0.60 0.93 -1.16 0.00 0.00 179.01 178.64 2fad h GLU 58 N 0.21 0.69 -0.09 2.33 5.08 -1.51 -3.16 114.58 118.12 2fad h GLU 58 Ca 0.03 -0.53 -0.03 0.00 -1.00 0.00 0.00 59.36 57.83 2fad h GLU 58 Cb 0.71 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2fad h GLU 58 CO 0.05 1.15 -0.07 0.00 -1.00 0.00 0.00 179.01 179.14 2fad h ALA 59 N 0.54 1.71 -0.14 3.43 0.00 -0.92 -2.09 119.26 121.79 2fad h ALA 59 Ca -0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2fad h ALA 59 Cb 1.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2fad h ALA 59 CO 0.13 0.22 0.08 1.49 0.00 0.00 0.00 179.25 181.16 2fad h GLU 60 N 0.14 0.19 -0.00 0.00 4.81 -1.38 -2.03 114.58 116.30 2fad h GLU 60 Ca 0.03 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2fad h GLU 60 Cb 0.22 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2fad h GLU 60 CO 0.01 0.14 -0.39 1.63 -0.73 0.00 0.00 179.01 179.67 2fad n LYS 61 N -4.50 0.04 -2.68 1.92 5.02 -0.79 -4.64 118.16 112.52 2fad n LYS 61 Ca -0.01 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.84 2fad n LYS 61 Cb 0.09 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 2fad n LYS 61 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2fad s ILE 62 N -2.98 4.15 -0.75 -0.18 1.01 -0.77 -4.80 121.20 116.90 2fad s ILE 62 Ca 0.12 -0.85 0.22 0.00 0.00 0.00 0.00 60.65 60.15 2fad s ILE 62 Cb 0.18 -4.94 -0.18 0.00 0.01 0.00 0.00 42.46 37.53 2fad s ILE 62 CO 0.66 -1.78 0.95 0.35 0.00 0.00 0.00 174.94 175.12 2fad n THR 63 N 6.39 0.06 -4.34 2.92 -2.24 -1.26 -4.91 114.28 110.89 2fad n THR 63 Ca 0.25 -0.14 -0.19 0.00 -2.27 0.00 0.00 64.05 61.70 2fad n THR 63 Cb 0.50 0.51 -0.10 0.00 -2.10 0.00 0.00 70.33 69.14 2fad n THR 63 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2fad s THR 64 N -3.13 1.74 0.22 4.28 -4.23 -1.26 -1.93 115.64 111.32 2fad s THR 64 Ca 0.05 -2.13 -0.08 0.00 -1.18 0.00 0.00 61.69 58.35 2fad s THR 64 Cb 0.15 -1.98 0.18 0.00 1.34 0.00 0.00 72.50 72.20 2fad s THR 64 CO 0.83 -0.54 1.71 0.58 -0.54 0.00 0.00 174.62 176.67 2fad h VAL 65 N 2.73 0.65 -0.38 2.29 2.07 -1.46 -1.27 116.25 120.89 2fad h VAL 65 Ca -0.39 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 2fad h VAL 65 Cb 1.22 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2fad h VAL 65 CO 0.59 0.06 0.00 -0.61 0.02 0.00 0.00 177.57 177.63 2fad h GLN 66 N 0.33 0.59 -0.45 1.57 5.75 -1.20 -2.09 115.11 119.62 2fad h GLN 66 Ca 0.35 -0.13 -0.06 0.00 -0.15 0.00 0.00 58.65 58.66 2fad h GLN 66 Cb 0.53 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.98 2fad h GLN 66 CO -0.40 0.62 0.02 0.00 -2.65 0.00 0.00 178.83 176.41 2fad h ALA 67 N 1.44 1.20 -0.26 3.38 0.00 -1.52 -1.23 119.26 122.27 2fad h ALA 67 Ca 0.12 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2fad h ALA 67 Cb 0.36 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2fad h ALA 67 CO 0.01 0.53 -0.24 0.00 0.00 0.00 0.00 179.25 179.55 2fad h ALA 68 N 1.35 0.38 -0.44 0.00 0.00 -0.92 -2.30 119.26 117.32 2fad h ALA 68 Ca 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2fad h ALA 68 Cb 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2fad h ALA 68 CO 0.01 0.35 0.29 0.82 0.00 0.00 0.00 179.25 180.72 2fad h ILE 69 N 0.34 1.12 -0.79 0.00 2.04 -1.20 -2.23 117.51 116.80 2fad h ILE 69 Ca 0.04 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.70 2fad h ILE 69 Cb 0.79 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 2fad h ILE 69 CO 0.06 0.11 0.51 0.44 0.00 0.00 0.00 178.15 179.28 2fad h ASP 70 N 0.59 0.87 -0.12 1.72 3.32 -1.17 -0.70 116.42 120.94 2fad h ASP 70 Ca 0.16 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 2fad h ASP 70 Cb -0.06 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 2fad h ASP 70 CO -0.03 0.61 0.07 0.22 -1.72 0.00 0.00 179.24 178.39 2fad h TYR 71 N 1.02 0.16 -0.29 4.55 3.20 -1.13 -0.31 116.97 124.17 2fad h TYR 71 Ca 0.30 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.18 2fad h TYR 71 Cb -0.05 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 2fad h TYR 71 CO -0.02 0.14 0.18 0.82 -1.64 0.00 0.00 178.16 177.64 2fad h ILE 72 N 0.13 1.06 -0.40 1.81 2.04 -1.18 0.11 117.51 121.09 2fad h ILE 72 Ca 0.04 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 2fad h ILE 72 Cb 0.02 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 2fad h ILE 72 CO -0.01 0.07 0.14 0.78 0.00 0.00 0.00 178.15 179.13 2fad h ASN 73 N 0.38 0.51 1.79 1.72 2.35 -0.90 -0.64 115.58 120.79 2fad h ASN 73 Ca 0.11 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 2fad h ASN 73 Cb -0.03 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 2fad h ASN 73 CO -0.04 0.48 -0.09 1.23 -1.65 0.00 0.00 177.43 177.36 2fad h GLY 74 N 0.73 0.00 0.00 2.83 0.00 -0.40 -3.40 103.07 102.84 2fad h GLY 74 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2fad h GLY 74 CO -0.01 0.00 -0.76 1.42 0.00 0.00 0.00 176.54 177.19 2fad n HIS 75 N -3.13 0.00 -2.06 5.60 8.25 0.32 -5.04 115.22 119.15 2fad n HIS 75 Ca 0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.10 2fad n HIS 75 Cb 0.54 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.64 2fad n HIS 75 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2fad s GLN 76 N -1.77 3.83 0.00 -0.41 0.74 -0.30 -4.99 119.66 116.76 2fad s GLN 76 Ca -0.00 2.09 0.00 0.00 0.05 0.00 0.00 55.36 57.50 2fad s GLN 76 Cb 0.00 -2.63 0.00 0.00 1.10 0.00 0.00 33.01 31.48 2fad s GLN 76 CO 0.01 -0.58 0.17 0.00 -0.55 0.00 0.00 175.29 174.34