#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 2.65 0.22 6.66 -4.23 -1.26 -4.91 115.64 114.76 2fad s THR 2 Ca 0.00 -0.18 -0.09 0.00 -1.18 0.00 0.00 61.69 60.24 2fad s THR 2 Cb 0.00 -3.13 0.17 0.00 1.34 0.00 0.00 72.50 70.89 2fad s THR 2 CO 0.00 -0.13 1.86 0.40 -0.54 0.00 0.00 174.62 176.21 2fad h ILE 3 N -0.50 1.22 -0.54 2.99 1.08 -2.01 -1.79 117.51 117.97 2fad h ILE 3 Ca -0.45 -0.48 0.05 0.00 -0.39 0.00 0.00 64.86 63.60 2fad h ILE 3 Cb 1.30 0.08 -0.05 0.00 -3.07 0.00 0.00 36.82 35.08 2fad h ILE 3 CO 0.60 0.23 0.27 -0.08 -0.69 0.00 0.00 178.15 178.49 2fad h GLU 4 N 1.11 0.51 -0.57 2.37 4.81 -1.95 -0.19 114.58 120.67 2fad h GLU 4 Ca 0.29 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.44 2fad h GLU 4 Cb -0.06 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 2fad h GLU 4 CO -0.06 0.34 0.14 0.93 -0.73 0.00 0.00 179.01 179.63 2fad h GLU 5 N 0.53 0.91 -0.30 1.92 5.08 -1.83 -1.48 114.58 119.42 2fad h GLU 5 Ca 0.24 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2fad h GLU 5 Cb 0.16 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2fad h GLU 5 CO -0.17 0.85 0.04 0.00 -1.00 0.00 0.00 179.01 178.73 2fad h ARG 6 N 0.82 0.49 -0.33 2.33 3.08 -0.70 -2.00 114.38 118.07 2fad h ARG 6 Ca 0.18 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 2fad h ARG 6 Cb 0.34 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2fad h ARG 6 CO 0.00 0.60 0.04 0.28 -1.07 0.00 0.00 179.97 179.82 2fad h VAL 7 N 0.31 1.24 -0.17 2.04 2.07 -1.04 -2.46 116.25 118.24 2fad h VAL 7 Ca 0.09 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 2fad h VAL 7 Cb 0.35 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2fad h VAL 7 CO 0.01 0.29 0.02 0.11 0.02 0.00 0.00 177.57 178.01 2fad h LYS 8 N 0.39 0.25 -0.30 1.57 1.57 -1.20 -1.19 116.57 117.65 2fad h LYS 8 Ca 0.10 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.66 2fad h LYS 8 Cb 0.38 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2fad h LYS 8 CO 0.01 0.26 -0.54 -0.22 -0.57 0.00 0.00 179.45 178.38 2fad h LYS 9 N 0.24 0.89 -0.54 3.15 3.64 -1.12 -1.93 116.57 120.91 2fad h LYS 9 Ca 0.06 -0.56 -0.10 0.00 -1.27 0.00 0.00 60.65 58.77 2fad h LYS 9 Cb 0.14 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2fad h LYS 9 CO 0.00 1.20 -0.07 0.82 -2.27 0.00 0.00 179.45 179.13 2fad h ILE 10 N 0.68 1.27 -0.62 2.00 2.04 -1.08 -1.89 117.51 119.91 2fad h ILE 10 Ca 0.02 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.66 2fad h ILE 10 Cb 1.15 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 2fad h ILE 10 CO 0.12 0.43 0.38 0.40 0.00 0.00 0.00 178.15 179.48 2fad h ILE 11 N 0.87 1.17 -0.22 -0.67 2.04 -1.14 -0.23 117.51 119.34 2fad h ILE 11 Ca 0.14 -0.37 -0.13 0.00 1.00 0.00 0.00 64.86 65.50 2fad h ILE 11 Cb 0.63 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2fad h ILE 11 CO 0.04 0.18 -0.41 1.23 0.00 0.00 0.00 178.15 179.18 2fad h GLY 12 N 0.83 0.57 0.89 5.37 0.00 -1.22 -2.00 103.07 107.50 2fad h GLY 12 Ca 0.22 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 2fad h GLY 12 CO -0.04 0.51 -0.27 0.83 0.00 0.00 0.00 176.54 177.57 2fad h GLU 13 N 0.43 0.57 -0.31 4.80 5.08 -1.06 -0.45 114.58 123.64 2fad h GLU 13 Ca 0.04 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 2fad h GLU 13 Cb 0.91 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 2fad h GLU 13 CO 0.08 0.92 0.10 1.96 -1.00 0.00 0.00 179.01 181.07 2fad h GLN 14 N 0.25 0.47 -0.01 2.33 1.08 -0.98 -3.17 115.11 115.09 2fad h GLN 14 Ca 0.03 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2fad h GLN 14 Cb 0.84 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 2fad h GLN 14 CO 0.06 0.51 -0.24 1.28 -0.95 0.00 0.00 178.83 179.49 2fad n LEU 15 N -4.70 1.05 -2.52 1.46 4.77 -0.76 -4.97 117.00 111.33 2fad n LEU 15 Ca -0.02 -0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 55.53 2fad n LEU 15 Cb 0.16 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.19 2fad n LEU 15 CO 0.37 0.20 0.16 0.61 -1.33 0.00 0.00 177.39 177.39 2fad n GLY 16 N 1.33 -0.02 3.31 -0.72 0.00 -0.23 -4.99 105.19 103.87 2fad n GLY 16 Ca 0.13 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.21 2.05 0.62 1.61 -7.23 -0.86 -5.05 120.40 108.32 2fad s VAL 17 Ca 0.36 -1.18 -0.17 0.00 -1.81 0.00 0.00 61.98 59.17 2fad s VAL 17 Cb -0.16 -1.71 -0.02 0.00 0.56 0.00 0.00 36.38 35.05 2fad s VAL 17 CO 0.47 0.50 1.16 -1.59 -0.31 0.00 0.00 175.10 175.33 2fad s LYS 18 N -0.81 2.91 0.27 4.82 -2.85 -1.26 -4.53 119.74 118.30 2fad s LYS 18 Ca 0.10 1.63 0.00 0.00 -1.00 0.00 0.00 55.97 56.70 2fad s LYS 18 Cb -0.10 -1.94 0.53 0.00 -2.06 0.00 0.00 37.83 34.26 2fad s LYS 18 CO -0.00 -1.21 1.82 1.96 0.10 0.00 0.00 175.35 178.02 2fad h GLN 19 N 0.55 0.88 -0.29 1.78 1.08 -1.95 -1.68 115.11 115.49 2fad h GLN 19 Ca -0.49 -0.05 0.08 0.00 -1.45 0.00 0.00 58.65 56.74 2fad h GLN 19 Cb 1.27 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 28.49 2fad h GLN 19 CO 0.54 0.59 0.22 1.05 -0.95 0.00 0.00 178.83 180.28 2fad h GLU 20 N 0.91 0.00 0.00 1.46 9.09 -2.01 -1.82 114.58 122.21 2fad h GLU 20 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.89 2fad h GLU 20 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 2fad h GLU 20 CO -0.28 0.00 -0.12 0.93 0.05 0.00 0.00 179.01 179.59 2fad h GLU 21 N 0.00 0.00 -3.52 1.06 5.08 -1.67 -3.38 114.58 112.15 2fad h GLU 21 Ca 0.14 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.78 2fad h GLU 21 Cb 0.57 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.75 2fad h GLU 21 CO -0.00 0.00 2.86 0.28 -1.00 0.00 0.00 179.01 181.15 2fad n VAL 22 N -2.49 4.07 -1.83 3.13 0.31 -0.69 -4.88 118.33 115.95 2fad n VAL 22 Ca 0.05 -3.49 -0.30 0.00 -0.01 0.00 0.00 64.34 60.59 2fad n VAL 22 Cb 0.46 -2.48 0.06 0.00 -0.91 0.00 0.00 33.84 30.98 2fad n VAL 22 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2fad s THR 23 N 1.70 3.14 0.32 2.52 -4.23 -1.26 -4.96 115.64 112.87 2fad s THR 23 Ca 0.50 0.37 0.25 0.00 -1.18 0.00 0.00 61.69 61.63 2fad s THR 23 Cb 0.14 -3.32 0.26 0.00 1.34 0.00 0.00 72.50 70.91 2fad s THR 23 CO -0.06 -0.48 1.97 0.78 -0.54 0.00 0.00 174.62 176.29 2fad h ASN 24 N -0.81 0.00 0.19 3.99 4.21 -1.95 -2.92 115.58 118.30 2fad h ASN 24 Ca -0.46 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.05 2fad h ASN 24 Cb 1.27 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.47 2fad h ASN 24 CO 0.63 0.18 -0.33 -0.46 -1.29 0.00 0.00 177.43 176.17 2fad n ASN 25 N -3.59 1.21 -4.77 5.81 0.23 -1.26 -1.15 115.26 111.73 2fad n ASN 25 Ca -0.01 -0.99 -0.41 0.00 -0.53 0.00 0.00 54.58 52.64 2fad n ASN 25 Cb 0.32 0.23 -0.02 0.00 -2.08 0.00 0.00 39.78 38.22 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 -2.53 3.51 -0.05 -2.53 0.00 -1.10 -4.80 121.76 114.26 2fad s ALA 26 Ca 0.22 1.31 -0.16 0.00 0.00 0.00 0.00 51.96 53.34 2fad s ALA 26 Cb 0.19 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 2fad s ALA 26 CO 0.54 -0.71 0.43 0.45 0.00 0.00 0.00 175.76 176.47 2fad s SER 27 N -0.41 6.75 0.12 0.00 0.15 -1.26 -1.38 113.70 117.67 2fad s SER 27 Ca 0.50 0.89 -0.19 0.00 0.70 0.00 0.00 55.95 57.84 2fad s SER 27 Cb -0.41 -2.26 -0.06 0.00 -1.71 0.00 0.00 66.02 61.58 2fad s SER 27 CO 0.54 0.19 1.74 -0.26 1.20 0.00 0.00 173.24 176.66 2fad h PHE 28 N 5.56 0.32 0.11 3.44 -1.00 -1.71 -1.29 116.94 122.36 2fad h PHE 28 Ca -0.47 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.30 2fad h PHE 28 Cb 1.20 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.66 2fad h PHE 28 CO 0.67 0.25 -0.05 0.28 -1.61 0.00 0.00 178.31 177.84 2fad h VAL 29 N 0.29 0.82 -0.19 -0.55 2.07 -1.82 -1.50 116.25 115.36 2fad h VAL 29 Ca 0.09 -1.33 -0.16 0.00 0.82 0.00 0.00 66.70 66.12 2fad h VAL 29 Cb 0.02 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2fad h VAL 29 CO -0.02 0.24 -0.54 -0.33 0.02 0.00 0.00 177.57 176.95 2fad h GLU 30 N -0.93 0.57 0.00 1.57 5.08 -1.90 -3.10 114.58 115.87 2fad h GLU 30 Ca -0.01 -0.36 -0.30 0.00 -1.00 0.00 0.00 59.36 57.69 2fad h GLU 30 Cb 0.51 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 2fad h GLU 30 CO 0.02 0.96 -2.12 -0.25 -1.00 0.00 0.00 179.01 176.63 2fad n ASP 31 N -3.96 2.11 -1.25 1.42 8.00 -0.62 -4.64 116.55 117.61 2fad n ASP 31 Ca -0.03 -0.08 0.11 0.00 0.71 0.00 0.00 54.79 55.50 2fad n ASP 31 Cb 0.60 -0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.99 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 -2.95 3.63 -1.89 0.64 4.77 -0.59 -4.97 117.00 115.64 2fad n LEU 32 Ca -0.33 -1.78 -0.19 0.00 -0.03 0.00 0.00 56.01 53.68 2fad n LEU 32 Cb 0.91 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 2fad n LEU 32 CO 0.23 0.89 -0.22 0.61 -1.33 0.00 0.00 177.39 177.58 2fad n GLY 33 N 1.58 0.56 3.69 -0.72 0.00 -1.06 -4.93 105.19 104.31 2fad n GLY 33 Ca 0.22 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.85 3.60 0.84 4.61 0.00 -0.59 -4.98 121.76 122.38 2fad s ALA 34 Ca 0.00 1.00 -0.07 0.00 0.00 0.00 0.00 51.96 52.89 2fad s ALA 34 Cb 0.00 -3.60 0.17 0.00 0.00 0.00 0.00 23.12 19.69 2fad s ALA 34 CO 0.00 -0.88 1.08 -0.40 0.00 0.00 0.00 175.76 175.56 2fad n ASP 35 N 5.08 0.80 -0.25 0.00 5.68 -1.26 -4.53 116.55 122.07 2fad n ASP 35 Ca 0.13 -1.83 -0.01 0.00 -0.50 0.00 0.00 54.79 52.59 2fad n ASP 35 Cb 0.43 -0.76 0.11 0.00 -1.14 0.00 0.00 41.12 39.76 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 -1.01 0.59 0.02 -1.12 0.02 -2.01 -1.97 113.55 108.07 2fad h SER 36 Ca -0.35 0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 60.49 2fad h SER 36 Cb 1.15 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 2fad h SER 36 CO 0.32 0.38 -0.46 0.25 -1.14 0.00 0.00 176.83 176.18 2fad h LEU 37 N 0.73 0.56 -0.92 5.07 5.85 -2.01 -3.12 115.31 121.46 2fad h LEU 37 Ca 0.32 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.83 2fad h LEU 37 Cb 0.20 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 2fad h LEU 37 CO -0.19 0.93 0.58 0.44 -0.34 0.00 0.00 178.44 179.87 2fad h ASP 38 N 0.42 0.93 -0.23 1.25 3.32 -1.73 -1.64 116.42 118.75 2fad h ASP 38 Ca 0.03 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 2fad h ASP 38 Cb 0.96 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 2fad h ASP 38 CO 0.09 0.60 -0.03 0.71 -1.72 0.00 0.00 179.24 178.89 2fad h THR 39 N 1.07 1.27 -0.59 0.35 1.35 -1.43 0.14 112.91 115.08 2fad h THR 39 Ca 0.39 -0.97 0.08 0.00 -0.55 0.00 0.00 66.41 65.36 2fad h THR 39 Cb 0.14 1.45 -0.06 0.00 -1.73 0.00 0.00 68.15 67.95 2fad h THR 39 CO -0.16 0.30 0.25 0.58 -0.25 0.00 0.00 175.52 176.23 2fad h VAL 40 N 0.17 0.83 -0.15 6.82 2.07 -1.44 -0.51 116.25 124.04 2fad h VAL 40 Ca 0.06 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.30 2fad h VAL 40 Cb 0.46 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2fad h VAL 40 CO 0.02 0.08 -0.47 -0.33 0.02 0.00 0.00 177.57 176.89 2fad h GLU 41 N 0.45 0.37 -0.41 1.57 5.08 -1.11 -2.20 114.58 118.33 2fad h GLU 41 Ca 0.29 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 2fad h GLU 41 Cb 0.31 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2fad h GLU 41 CO -0.26 0.77 -0.18 1.25 -1.00 0.00 0.00 179.01 179.59 2fad h LEU 42 N 0.30 0.79 -0.15 1.33 5.85 -0.02 -1.44 115.31 121.97 2fad h LEU 42 Ca 0.02 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 2fad h LEU 42 Cb 0.94 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2fad h LEU 42 CO 0.08 0.97 0.04 0.58 -0.34 0.00 0.00 178.44 179.77 2fad h VAL 43 N 0.70 1.19 -0.22 1.05 2.07 -0.99 -2.14 116.25 117.91 2fad h VAL 43 Ca 0.10 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 2fad h VAL 43 Cb 0.68 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2fad h VAL 43 CO 0.05 0.18 -0.12 0.24 0.02 0.00 0.00 177.57 177.94 2fad h MET 44 N 0.05 0.35 -0.61 1.57 2.86 -1.31 -1.76 114.93 116.10 2fad h MET 44 Ca 0.05 -0.09 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 2fad h MET 44 Cb 0.24 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2fad h MET 44 CO -0.00 0.48 0.06 0.00 1.06 0.00 0.00 176.91 178.51 2fad h ALA 45 N 1.55 0.95 0.00 6.32 0.00 -1.02 -2.45 119.26 124.62 2fad h ALA 45 Ca 0.07 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 2fad h ALA 45 Cb 0.42 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2fad h ALA 45 CO 0.02 0.64 -0.74 -0.07 0.00 0.00 0.00 179.25 179.11 2fad h LEU 46 N 0.94 0.00 -1.04 0.00 3.38 -1.02 -2.02 115.31 115.55 2fad h LEU 46 Ca 0.18 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 2fad h LEU 46 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2fad h LEU 46 CO 0.02 0.74 -0.41 -0.33 0.09 0.00 0.00 178.44 178.55 2fad h GLU 47 N 0.00 0.14 0.02 1.13 5.08 -1.16 -1.85 114.58 117.93 2fad h GLU 47 Ca -0.01 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2fad h GLU 47 Cb 1.37 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2fad h GLU 47 CO 0.10 0.53 -0.01 1.49 -1.00 0.00 0.00 179.01 180.12 2fad h GLU 48 N 0.12 -0.02 -0.98 2.33 4.57 -1.33 -1.90 114.58 117.37 2fad h GLU 48 Ca 0.01 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.27 2fad h GLU 48 Cb 0.78 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.30 2fad h GLU 48 CO 0.06 0.74 0.63 1.49 -1.18 0.00 0.00 179.01 180.75 2fad h GLU 49 N -0.85 1.05 -0.40 1.92 4.57 -1.33 -3.12 114.58 116.42 2fad h GLU 49 Ca -0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2fad h GLU 49 Cb 0.77 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 2fad h GLU 49 CO 0.00 0.69 0.00 1.19 -1.18 0.00 0.00 179.01 179.72 2fad n PHE 50 N -4.53 0.83 -3.76 0.92 3.01 -0.70 -5.02 117.46 108.21 2fad n PHE 50 Ca 0.16 -0.63 -0.32 0.00 1.01 0.00 0.00 57.45 57.67 2fad n PHE 50 Cb 0.24 -0.15 0.03 0.00 -0.01 0.00 0.00 39.48 39.59 2fad n PHE 50 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2fad n ASP 51 N 0.41 -4.35 -3.65 4.37 10.43 -0.73 -4.24 116.55 118.78 2fad n ASP 51 Ca 0.18 -1.04 -0.07 0.00 2.57 0.00 0.00 54.79 56.43 2fad n ASP 51 Cb 0.66 -3.17 -0.07 0.00 1.84 0.00 0.00 41.12 40.38 2fad n ASP 51 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 2fad s THR 52 N -3.55 -0.20 -0.15 -3.53 -1.32 -1.10 -4.39 115.64 101.41 2fad s THR 52 Ca 0.40 0.02 -0.12 0.00 -1.21 0.00 0.00 61.69 60.78 2fad s THR 52 Cb -0.15 -0.92 -0.05 0.00 -1.51 0.00 0.00 72.50 69.88 2fad s THR 52 CO 0.88 0.01 0.26 -1.61 -2.21 0.00 0.00 174.62 171.94 2fad s GLU 53 N 1.85 4.11 -0.20 7.08 0.41 -1.26 -4.38 118.70 126.31 2fad s GLU 53 Ca -0.09 0.04 -0.04 0.00 -0.41 0.00 0.00 54.97 54.47 2fad s GLU 53 Cb -0.07 -3.38 -0.02 0.00 -1.78 0.00 0.00 34.13 28.88 2fad s GLU 53 CO -0.18 0.36 -0.02 0.42 -0.49 0.00 0.00 175.26 175.34 2fad s ILE 54 N 0.12 3.72 0.24 -1.63 1.01 -1.26 -5.09 121.20 118.31 2fad s ILE 54 Ca 0.16 -0.39 -0.31 0.00 0.00 0.00 0.00 60.65 60.10 2fad s ILE 54 Cb -0.13 -2.68 -0.12 0.00 0.01 0.00 0.00 42.46 39.55 2fad s ILE 54 CO 0.04 0.44 1.68 -2.84 0.00 0.00 0.00 174.94 174.25 2fad s PRO 55 N 1.06 4.12 0.36 2.79 0.02 -1.26 -4.73 135.00 137.36 2fad s PRO 55 Ca 0.02 2.61 0.15 0.00 0.02 0.00 0.00 61.00 63.79 2fad s PRO 55 Cb -0.14 -3.05 1.03 0.00 0.02 0.00 0.00 34.50 32.35 2fad s PRO 55 CO 0.01 -0.71 1.74 -0.44 -0.33 0.00 0.00 177.00 177.26 2fad h ASP 56 N 6.02 0.54 -0.29 2.53 3.32 -1.98 0.26 116.42 126.81 2fad h ASP 56 Ca -0.45 0.12 0.04 0.00 0.02 0.00 0.00 57.03 56.76 2fad h ASP 56 Cb 1.21 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 2fad h ASP 56 CO 0.89 0.06 0.05 -0.33 -1.72 0.00 0.00 179.24 178.19 2fad h GLU 57 N 0.45 0.14 -0.17 3.56 5.08 -2.00 -0.86 114.58 120.79 2fad h GLU 57 Ca 0.64 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.95 2fad h GLU 57 Cb 1.47 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 2fad h GLU 57 CO -0.40 0.10 -0.05 0.93 -1.00 0.00 0.00 179.01 178.58 2fad h GLU 58 N 0.15 0.33 -0.75 2.33 5.08 -0.95 -3.17 114.58 117.60 2fad h GLU 58 Ca 0.14 -0.13 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 2fad h GLU 58 Cb 0.16 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 2fad h GLU 58 CO -0.19 0.61 0.49 0.00 -1.00 0.00 0.00 179.01 178.92 2fad h ALA 59 N 0.71 1.93 0.00 3.43 0.00 -0.71 0.85 119.26 125.47 2fad h ALA 59 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2fad h ALA 59 Cb 0.49 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2fad h ALA 59 CO 0.02 -0.10 0.00 1.49 0.00 0.00 0.00 179.25 180.65 2fad h GLU 60 N 0.56 0.00 0.00 0.00 4.81 -1.13 -2.14 114.58 116.68 2fad h GLU 60 Ca 0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 2fad h GLU 60 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2fad h GLU 60 CO -0.13 0.00 -1.18 1.63 -0.73 0.00 0.00 179.01 178.60 2fad n LYS 61 N -2.59 0.32 -2.72 1.92 5.02 0.29 -4.70 118.16 115.70 2fad n LYS 61 Ca -0.01 -0.03 -0.43 0.00 -2.02 0.00 0.00 58.31 55.82 2fad n LYS 61 Cb 0.10 -1.58 -0.01 0.00 -0.02 0.00 0.00 35.03 33.52 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 -3.23 4.40 -0.46 -0.18 1.01 -0.81 -4.80 121.20 117.13 2fad s ILE 62 Ca 0.02 -1.77 0.23 0.00 0.00 0.00 0.00 60.65 59.14 2fad s ILE 62 Cb 0.14 -5.03 0.03 0.00 0.01 0.00 0.00 42.46 37.61 2fad s ILE 62 CO 0.83 -1.82 1.19 0.71 0.00 0.00 0.00 174.94 175.85 2fad h THR 63 N 5.68 0.00 -2.42 2.92 1.35 -1.84 -3.46 112.91 115.14 2fad h THR 63 Ca 0.31 -0.72 -0.54 0.00 -0.55 0.00 0.00 66.41 64.91 2fad h THR 63 Cb 0.93 1.26 -0.14 0.00 -1.73 0.00 0.00 68.15 68.47 2fad h THR 63 CO 1.34 0.00 -0.69 0.42 -0.25 0.00 0.00 175.52 176.34 2fad s THR 64 N -3.25 1.91 0.19 6.82 -4.23 -1.26 -1.78 115.64 114.03 2fad s THR 64 Ca 0.03 -2.19 -0.12 0.00 -1.18 0.00 0.00 61.69 58.24 2fad s THR 64 Cb 0.12 -2.45 0.10 0.00 1.34 0.00 0.00 72.50 71.61 2fad s THR 64 CO 0.75 -0.31 1.76 0.58 -0.54 0.00 0.00 174.62 176.87 2fad h VAL 65 N 2.23 0.87 -0.82 2.29 2.07 -1.35 -2.20 116.25 119.34 2fad h VAL 65 Ca -0.40 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2fad h VAL 65 Cb 1.24 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 2fad h VAL 65 CO 0.67 0.08 0.52 -0.61 0.02 0.00 0.00 177.57 178.25 2fad h GLN 66 N 0.44 1.10 -0.62 1.57 5.75 -1.42 -1.03 115.11 120.90 2fad h GLN 66 Ca 0.25 -0.09 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 2fad h GLN 66 Cb 0.24 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 2fad h GLN 66 CO -0.23 0.76 0.34 0.00 -2.65 0.00 0.00 178.83 177.05 2fad h ALA 67 N 1.28 1.44 -0.03 3.38 0.00 -1.70 -0.56 119.26 123.07 2fad h ALA 67 Ca 0.30 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2fad h ALA 67 Cb -0.08 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 2fad h ALA 67 CO -0.06 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.66 2fad h ALA 68 N 1.52 0.04 -0.60 0.00 0.00 -0.82 -1.73 119.26 117.66 2fad h ALA 68 Ca 0.22 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2fad h ALA 68 Cb 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2fad h ALA 68 CO -0.04 -0.31 0.37 0.82 0.00 0.00 0.00 179.25 180.09 2fad h ILE 69 N -0.22 1.07 -0.64 0.00 2.04 -0.83 -2.22 117.51 116.70 2fad h ILE 69 Ca 0.01 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2fad h ILE 69 Cb 0.29 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2fad h ILE 69 CO 0.00 0.13 0.40 0.44 0.00 0.00 0.00 178.15 179.12 2fad h ASP 70 N 0.72 0.75 -0.28 1.72 3.32 -1.04 -2.16 116.42 119.45 2fad h ASP 70 Ca 0.24 -0.03 -0.18 0.00 0.02 0.00 0.00 57.03 57.08 2fad h ASP 70 Cb 0.03 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 2fad h ASP 70 CO -0.10 0.57 -0.53 0.22 -1.72 0.00 0.00 179.24 177.68 2fad h TYR 71 N 0.88 1.08 -0.43 4.55 3.20 -0.75 -1.68 116.97 123.82 2fad h TYR 71 Ca 0.23 -0.38 -0.07 0.00 3.14 0.00 0.00 58.73 61.66 2fad h TYR 71 Cb -0.06 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 2fad h TYR 71 CO 0.00 1.20 0.01 0.82 -1.64 0.00 0.00 178.16 178.56 2fad h ILE 72 N 0.67 1.26 -0.63 1.81 1.08 -1.16 0.56 117.51 121.11 2fad h ILE 72 Ca 0.02 -1.01 -0.09 0.00 -0.39 0.00 0.00 64.86 63.40 2fad h ILE 72 Cb 1.13 1.07 -0.02 0.00 -3.07 0.00 0.00 36.82 35.93 2fad h ILE 72 CO 0.12 0.34 0.06 0.78 -0.69 0.00 0.00 178.15 178.76 2fad h ASN 73 N 0.58 1.03 0.49 1.72 2.35 -1.39 0.51 115.58 120.87 2fad h ASN 73 Ca 0.12 -0.26 -0.15 0.00 -0.55 0.00 0.00 56.30 55.46 2fad h ASN 73 Cb 0.47 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2fad h ASN 73 CO 0.02 1.04 -0.65 1.23 -1.65 0.00 0.00 177.43 177.43 2fad h GLY 74 N 1.02 0.16 0.00 2.83 0.00 -1.15 -3.37 103.07 102.56 2fad h GLY 74 Ca 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2fad h GLY 74 CO 0.02 0.19 -0.39 1.42 0.00 0.00 0.00 176.54 177.79 2fad n HIS 75 N -3.81 0.00 -1.72 5.60 8.25 0.18 -5.03 115.22 118.68 2fad n HIS 75 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 2fad n HIS 75 Cb 0.64 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.73 2fad n HIS 75 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2fad n GLN 76 N -1.19 2.52 0.00 -0.41 7.27 0.18 -4.94 117.38 120.80 2fad n GLN 76 Ca 0.01 0.90 0.00 0.00 0.07 0.00 0.00 57.00 57.98 2fad n GLN 76 Cb 0.12 -2.66 0.00 0.00 2.41 0.00 0.00 30.24 30.12 2fad n GLN 76 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13