#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fae s THR 2 N 0.00 2.42 0.30 0.44 -4.23 -1.26 -4.88 115.64 108.43 2fae s THR 2 Ca 0.00 0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 60.58 2fae s THR 2 Cb 0.00 -3.12 0.22 0.00 1.34 0.00 0.00 72.50 70.94 2fae s THR 2 CO 0.00 -0.16 1.93 0.40 -0.54 0.00 0.00 174.62 176.25 2fae h ILE 3 N -0.89 1.20 -0.27 2.99 1.08 -2.01 -1.34 117.51 118.28 2fae h ILE 3 Ca -0.46 -0.52 -0.01 0.00 -0.39 0.00 0.00 64.86 63.49 2fae h ILE 3 Cb 1.31 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 2fae h ILE 3 CO 0.65 0.23 0.15 -0.08 -0.69 0.00 0.00 178.15 178.40 2fae h GLU 4 N 0.94 0.38 -0.63 2.37 4.81 -1.94 -0.55 114.58 119.95 2fae h GLU 4 Ca 0.24 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 2fae h GLU 4 Cb 0.03 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 2fae h GLU 4 CO -0.04 0.34 0.15 0.93 -0.73 0.00 0.00 179.01 179.67 2fae h GLU 5 N 0.33 0.99 -0.25 1.92 5.08 -1.88 -2.25 114.58 118.52 2fae h GLU 5 Ca 0.10 -0.22 -0.18 0.00 -1.00 0.00 0.00 59.36 58.05 2fae h GLU 5 Cb 0.07 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 2fae h GLU 5 CO -0.01 0.88 -0.57 0.00 -1.00 0.00 0.00 179.01 178.31 2fae h ARG 6 N 0.95 0.79 -0.35 2.33 3.08 -0.97 -2.14 114.38 118.07 2fae h ARG 6 Ca 0.20 -0.51 -0.05 0.00 0.07 0.00 0.00 59.98 59.69 2fae h ARG 6 Cb 0.34 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2fae h ARG 6 CO 0.00 1.14 0.03 0.28 -1.07 0.00 0.00 179.97 180.35 2fae h VAL 7 N 0.60 1.25 -1.00 2.04 2.07 -1.08 -2.07 116.25 118.05 2fae h VAL 7 Ca 0.01 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.66 2fae h VAL 7 Cb 1.16 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 2fae h VAL 7 CO 0.12 0.30 0.66 0.11 0.02 0.00 0.00 177.57 178.78 2fae h LYS 8 N 0.42 1.24 -0.29 1.57 1.57 -1.36 -1.49 116.57 118.22 2fae h LYS 8 Ca 0.10 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2fae h LYS 8 Cb 0.40 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2fae h LYS 8 CO 0.01 0.82 0.13 -0.22 -0.57 0.00 0.00 179.45 179.62 2fae h LYS 9 N 1.28 0.43 -0.39 3.15 1.63 -1.15 -1.80 116.57 119.72 2fae h LYS 9 Ca 0.40 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.13 2fae h LYS 9 Cb -0.01 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 2fae h LYS 9 CO -0.12 0.42 0.25 0.82 -3.45 0.00 0.00 179.45 177.37 2fae h ILE 10 N 0.33 1.11 -0.13 2.00 1.08 -0.96 -1.02 117.51 119.91 2fae h ILE 10 Ca 0.10 -0.21 0.03 0.00 -0.39 0.00 0.00 64.86 64.39 2fae h ILE 10 Cb 0.14 0.55 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 2fae h ILE 10 CO -0.01 0.10 -0.03 0.40 -0.69 0.00 0.00 178.15 177.92 2fae h ILE 11 N 0.52 0.87 -0.54 -0.67 2.04 -1.17 0.15 117.51 118.70 2fae h ILE 11 Ca 0.14 -0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.93 2fae h ILE 11 Cb -0.05 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2fae h ILE 11 CO -0.03 0.00 0.07 1.23 0.00 0.00 0.00 178.15 179.42 2fae h GLY 12 N 0.01 0.94 1.11 5.37 0.00 -1.14 -0.11 103.07 109.25 2fae h GLY 12 Ca 0.06 -0.59 -0.16 0.00 0.00 0.00 0.00 47.33 46.64 2fae h GLY 12 CO -0.13 0.55 -0.42 1.05 0.00 0.00 0.00 176.54 177.59 2fae h GLU 13 N 0.82 0.88 -0.47 4.80 4.11 -0.86 -1.57 114.58 122.29 2fae h GLU 13 Ca 0.17 -0.50 -0.08 0.00 0.07 0.00 0.00 59.36 59.02 2fae h GLU 13 Cb 0.39 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2fae h GLU 13 CO 0.01 1.14 -0.05 1.96 0.07 0.00 0.00 179.01 182.14 2fae h GLN 14 N 0.68 0.82 -0.01 1.06 1.08 -0.33 -3.26 115.11 115.13 2fae h GLN 14 Ca 0.04 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 2fae h GLN 14 Cb 1.02 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.37 2fae h GLN 14 CO 0.10 0.85 -0.31 1.28 -0.95 0.00 0.00 178.83 179.80 2fae n LEU 15 N -4.19 1.76 -2.68 1.46 4.77 -0.09 -4.98 117.00 113.05 2fae n LEU 15 Ca 0.02 -0.60 -0.16 0.00 -0.03 0.00 0.00 56.01 55.24 2fae n LEU 15 Cb 0.33 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.44 2fae n LEU 15 CO 0.42 0.32 0.17 0.61 -1.33 0.00 0.00 177.39 177.58 2fae n GLY 16 N 1.36 -0.10 3.30 -0.72 0.00 -0.62 -5.00 105.19 103.42 2fae n GLY 16 Ca 0.12 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2fae n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fae s VAL 17 N -3.23 1.98 0.35 1.61 1.01 -1.04 -5.08 120.40 116.01 2fae s VAL 17 Ca 0.37 -1.19 -0.28 0.00 0.00 0.00 0.00 61.98 60.89 2fae s VAL 17 Cb -0.16 -1.67 -0.10 0.00 0.00 0.00 0.00 36.38 34.45 2fae s VAL 17 CO 0.51 0.45 1.27 -1.59 0.00 0.00 0.00 175.10 175.74 2fae s LYS 18 N -0.88 4.25 0.26 2.72 -2.85 -1.26 -4.63 119.74 117.36 2fae s LYS 18 Ca 0.10 2.12 -0.05 0.00 -1.00 0.00 0.00 55.97 57.14 2fae s LYS 18 Cb -0.10 -2.96 0.52 0.00 -2.06 0.00 0.00 37.83 33.23 2fae s LYS 18 CO 0.00 -0.24 1.61 1.96 0.10 0.00 0.00 175.35 178.79 2fae h GLN 19 N 3.16 0.07 0.00 1.78 1.08 -1.95 0.64 115.11 119.90 2fae h GLN 19 Ca -0.49 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 2fae h GLN 19 Cb 1.23 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 2fae h GLN 19 CO 0.64 0.05 0.00 -0.85 -0.95 0.00 0.00 178.83 177.72 2fae n GLU 20 N -5.40 0.13 0.07 1.46 0.00 -1.26 -1.08 120.64 114.55 2fae n GLU 20 Ca 0.16 0.62 0.06 0.00 0.00 0.00 0.00 57.16 58.00 2fae n GLU 20 Cb 0.55 -1.91 -0.04 0.00 0.00 0.00 0.00 31.44 30.04 2fae n GLU 20 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2fae h GLU 21 N 0.00 0.00 -3.84 3.44 4.81 -1.23 -3.41 114.58 114.35 2fae h GLU 21 Ca 0.00 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.50 2fae h GLU 21 Cb 0.00 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.30 2fae h GLU 21 CO 0.00 0.15 2.67 0.28 -0.73 0.00 0.00 179.01 181.38 2fae n VAL 22 N -2.79 3.82 -2.38 0.32 0.31 -0.24 -4.88 118.33 112.48 2fae n VAL 22 Ca -0.05 -3.59 -0.29 0.00 -0.01 0.00 0.00 64.34 60.40 2fae n VAL 22 Cb 0.70 -2.50 -0.00 0.00 -0.91 0.00 0.00 33.84 31.12 2fae n VAL 22 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2fae s THR 23 N 2.10 4.80 0.54 2.52 -4.23 -1.26 -4.96 115.64 115.14 2fae s THR 23 Ca 0.44 0.57 0.22 0.00 -1.18 0.00 0.00 61.69 61.74 2fae s THR 23 Cb 0.12 -3.84 0.34 0.00 1.34 0.00 0.00 72.50 70.46 2fae s THR 23 CO -0.05 -0.90 2.08 0.78 -0.54 0.00 0.00 174.62 175.99 2fae h ASN 24 N 0.22 0.00 -0.16 3.99 4.21 -1.95 -1.80 115.58 120.09 2fae h ASN 24 Ca -0.46 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.05 2fae h ASN 24 Cb 1.20 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 2fae h ASN 24 CO 0.62 0.00 0.00 -0.46 -1.29 0.00 0.00 177.43 176.30 2fae n ASN 25 N -4.35 1.80 -4.73 5.81 0.23 -1.26 -1.93 115.26 110.83 2fae n ASN 25 Ca 0.03 -1.71 -0.41 0.00 -0.53 0.00 0.00 54.58 51.96 2fae n ASN 25 Cb 0.35 -0.10 -0.04 0.00 -2.08 0.00 0.00 39.78 37.92 2fae n ASN 25 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2fae s ALA 26 N -1.80 3.36 0.14 -2.53 0.00 -0.68 -4.89 121.76 115.37 2fae s ALA 26 Ca 0.33 0.81 -0.14 0.00 0.00 0.00 0.00 51.96 52.96 2fae s ALA 26 Cb 0.18 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.86 2fae s ALA 26 CO 0.28 -0.26 0.54 -1.54 0.00 0.00 0.00 175.76 174.78 2fae s SER 27 N 0.19 6.82 0.09 0.00 1.04 -1.26 -1.56 113.70 119.02 2fae s SER 27 Ca 0.51 1.06 -0.20 0.00 0.48 0.00 0.00 55.95 57.81 2fae s SER 27 Cb -0.29 -2.28 -0.08 0.00 0.10 0.00 0.00 66.02 63.47 2fae s SER 27 CO 0.33 0.11 1.62 -0.26 0.98 0.00 0.00 173.24 176.02 2fae h PHE 28 N 3.60 0.34 0.00 5.02 -1.00 -1.52 -1.88 116.94 121.49 2fae h PHE 28 Ca -0.49 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.25 2fae h PHE 28 Cb 1.19 -0.10 -0.00 0.00 3.61 0.00 0.00 35.95 40.65 2fae h PHE 28 CO 0.65 0.39 -0.05 0.28 -1.61 0.00 0.00 178.31 177.98 2fae h VAL 29 N 0.19 1.53 -0.25 -0.55 2.07 -1.82 -1.59 116.25 115.81 2fae h VAL 29 Ca 0.07 -2.16 -0.03 0.00 0.82 0.00 0.00 66.70 65.40 2fae h VAL 29 Cb 0.21 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 2fae h VAL 29 CO -0.00 0.52 0.03 -0.33 0.02 0.00 0.00 177.57 177.80 2fae h GLU 30 N -1.00 0.43 0.04 1.57 3.07 -1.92 -3.05 114.58 113.71 2fae h GLU 30 Ca -0.01 -0.12 -0.38 0.00 -0.50 0.00 0.00 59.36 58.34 2fae h GLU 30 Cb 0.88 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.69 2fae h GLU 30 CO -0.01 0.57 -2.33 -0.25 -1.40 0.00 0.00 179.01 175.59 2fae n ASP 31 N -4.67 2.03 -1.11 1.42 8.00 -0.78 -4.53 116.55 116.91 2fae n ASP 31 Ca -0.03 -0.03 0.09 0.00 0.71 0.00 0.00 54.79 55.53 2fae n ASP 31 Cb 0.21 -0.56 0.26 0.00 -0.02 0.00 0.00 41.12 41.02 2fae n ASP 31 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2fae n LEU 32 N -3.34 3.21 -2.10 0.64 4.77 -0.80 -4.96 117.00 114.43 2fae n LEU 32 Ca -0.42 -1.61 -0.18 0.00 -0.03 0.00 0.00 56.01 53.78 2fae n LEU 32 Cb 1.01 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 2fae n LEU 32 CO 0.31 0.77 -0.21 0.61 -1.33 0.00 0.00 177.39 177.54 2fae n GLY 33 N 1.39 0.29 3.70 -0.72 0.00 -1.00 -4.92 105.19 103.94 2fae n GLY 33 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2fae n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fae n ALA 34 N -0.97 2.47 -2.65 4.61 0.00 -0.63 -4.98 120.51 118.36 2fae n ALA 34 Ca -0.20 0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 2fae n ALA 34 Cb 0.64 -2.56 0.05 0.00 0.00 0.00 0.00 19.45 17.58 2fae n ALA 34 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2fae n ASP 35 N 4.91 0.86 -0.19 0.00 5.68 -1.26 -4.65 116.55 121.90 2fae n ASP 35 Ca 0.17 -1.68 -0.06 0.00 -0.50 0.00 0.00 54.79 52.73 2fae n ASP 35 Cb 0.36 -0.30 0.04 0.00 -1.14 0.00 0.00 41.12 40.08 2fae n ASP 35 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2fae h SER 36 N -0.18 0.58 -0.33 -1.12 0.02 -2.01 -2.54 113.55 107.96 2fae h SER 36 Ca -0.16 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.68 2fae h SER 36 Cb 0.65 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 2fae h SER 36 CO 0.19 0.41 -0.17 0.25 -1.14 0.00 0.00 176.83 176.38 2fae h LEU 37 N 0.69 0.79 -0.98 5.07 5.85 -2.01 -3.06 115.31 121.67 2fae h LEU 37 Ca 0.22 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.73 2fae h LEU 37 Cb -0.01 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.74 2fae h LEU 37 CO -0.08 0.95 0.63 0.44 -0.34 0.00 0.00 178.44 180.05 2fae h ASP 38 N 0.70 1.03 -0.23 1.25 3.32 -1.84 0.10 116.42 120.75 2fae h ASP 38 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2fae h ASP 38 Cb 0.67 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2fae h ASP 38 CO 0.05 0.67 0.15 0.71 -1.72 0.00 0.00 179.24 179.10 2fae h THR 39 N 1.17 1.06 -0.49 0.35 1.35 -1.36 0.16 112.91 115.16 2fae h THR 39 Ca 0.41 -0.11 -0.04 0.00 -0.55 0.00 0.00 66.41 66.12 2fae h THR 39 Cb 0.11 0.72 -0.02 0.00 -1.73 0.00 0.00 68.15 67.23 2fae h THR 39 CO -0.16 0.06 0.14 0.58 -0.25 0.00 0.00 175.52 175.89 2fae h VAL 40 N 0.31 1.23 -0.14 6.82 2.07 -1.47 -2.32 116.25 122.75 2fae h VAL 40 Ca 0.08 -0.79 -0.10 0.00 0.82 0.00 0.00 66.70 66.72 2fae h VAL 40 Cb -0.03 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2fae h VAL 40 CO -0.02 0.29 -0.35 -0.33 0.02 0.00 0.00 177.57 177.18 2fae h GLU 41 N 0.66 0.29 -0.28 1.57 5.08 -0.72 -2.79 114.58 118.39 2fae h GLU 41 Ca 0.16 -0.12 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 2fae h GLU 41 Cb 0.29 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2fae h GLU 41 CO -0.00 0.61 -0.43 1.25 -1.00 0.00 0.00 179.01 179.43 2fae h LEU 42 N 0.25 0.76 -0.27 1.33 5.85 -0.50 -1.48 115.31 121.25 2fae h LEU 42 Ca 0.03 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 2fae h LEU 42 Cb 0.74 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2fae h LEU 42 CO 0.06 1.09 0.13 0.58 -0.34 0.00 0.00 178.44 179.96 2fae h VAL 43 N 0.57 1.15 -0.25 1.05 2.07 -1.26 -2.10 116.25 117.48 2fae h VAL 43 Ca 0.04 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 2fae h VAL 43 Cb 0.98 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2fae h VAL 43 CO 0.09 0.15 -0.19 0.24 0.02 0.00 0.00 177.57 177.88 2fae h MET 44 N 0.30 0.44 -0.55 1.57 2.86 -1.44 -1.74 114.93 116.37 2fae h MET 44 Ca 0.09 -0.14 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 2fae h MET 44 Cb 0.12 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 2fae h MET 44 CO -0.01 0.62 -0.05 0.00 1.06 0.00 0.00 176.91 178.53 2fae h ALA 45 N 1.40 0.88 -0.08 6.32 0.00 -1.03 -0.69 119.26 126.06 2fae h ALA 45 Ca 0.07 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 2fae h ALA 45 Cb 0.57 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2fae h ALA 45 CO 0.04 0.65 -0.68 -0.07 0.00 0.00 0.00 179.25 179.18 2fae h LEU 46 N 0.89 0.44 -0.82 0.00 -0.00 -1.21 -2.02 115.31 112.59 2fae h LEU 46 Ca 0.15 -0.27 -0.05 0.00 -0.00 0.00 0.00 57.88 57.71 2fae h LEU 46 Cb 0.58 -0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 41.08 2fae h LEU 46 CO 0.04 0.99 0.28 -0.33 -0.00 0.00 0.00 178.44 179.41 2fae h GLU 47 N 0.26 1.15 -0.33 1.13 5.08 -1.09 0.17 114.58 120.95 2fae h GLU 47 Ca -0.02 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.04 2fae h GLU 47 Cb 1.24 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2fae h GLU 47 CO 0.12 0.95 -0.10 1.49 -1.00 0.00 0.00 179.01 180.47 2fae h GLU 48 N 1.12 0.65 -0.17 2.33 4.57 -1.02 -1.57 114.58 120.49 2fae h GLU 48 Ca 0.25 -0.26 -0.21 0.00 -1.18 0.00 0.00 59.36 57.96 2fae h GLU 48 Cb 0.25 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 28.82 2fae h GLU 48 CO -0.02 0.83 -0.73 1.49 -1.18 0.00 0.00 179.01 179.40 2fae h GLU 49 N 0.43 0.77 -0.61 1.92 4.57 -1.19 -3.33 114.58 117.16 2fae h GLU 49 Ca 0.08 -0.60 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 2fae h GLU 49 Cb 0.60 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 2fae h GLU 49 CO 0.04 1.22 0.00 1.19 -1.18 0.00 0.00 179.01 180.27 2fae n PHE 50 N -3.94 1.02 -4.08 0.92 3.01 0.03 -4.99 117.46 109.43 2fae n PHE 50 Ca -0.07 -0.55 -0.32 0.00 1.01 0.00 0.00 57.45 57.53 2fae n PHE 50 Cb 0.72 -0.09 -0.01 0.00 -0.01 0.00 0.00 39.48 40.09 2fae n PHE 50 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2fae n ASP 51 N 1.15 -2.74 -3.94 4.37 10.43 -0.59 -3.62 116.55 121.61 2fae n ASP 51 Ca 0.22 -0.96 -0.11 0.00 2.57 0.00 0.00 54.79 56.51 2fae n ASP 51 Cb 0.67 -3.10 -0.12 0.00 1.84 0.00 0.00 41.12 40.41 2fae n ASP 51 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 2fae s THR 52 N -3.49 0.11 -0.27 -3.53 -1.32 -1.22 -4.30 115.64 101.64 2fae s THR 52 Ca 0.50 -0.56 -0.12 0.00 -1.21 0.00 0.00 61.69 60.31 2fae s THR 52 Cb -0.27 -0.20 -0.05 0.00 -1.51 0.00 0.00 72.50 70.47 2fae s THR 52 CO 0.89 -0.28 0.21 -1.61 -2.21 0.00 0.00 174.62 171.63 2fae s GLU 53 N -0.88 3.99 -0.32 7.08 0.41 -1.26 -4.43 118.70 123.29 2fae s GLU 53 Ca -0.09 -0.25 -0.09 0.00 -0.41 0.00 0.00 54.97 54.14 2fae s GLU 53 Cb -0.06 -3.63 0.01 0.00 -1.78 0.00 0.00 34.13 28.67 2fae s GLU 53 CO -0.01 -0.13 0.14 -1.50 -0.49 0.00 0.00 175.26 173.27 2fae s ILE 54 N 1.63 4.31 0.51 -1.63 2.07 -1.26 -5.08 121.20 121.75 2fae s ILE 54 Ca 0.09 -0.69 -0.22 0.00 -1.41 0.00 0.00 60.65 58.41 2fae s ILE 54 Cb -0.15 -3.28 -0.07 0.00 0.13 0.00 0.00 42.46 39.08 2fae s ILE 54 CO 0.09 -0.03 1.12 -2.65 -1.91 0.00 0.00 174.94 171.57 2fae n PRO 55 N 4.93 1.39 0.21 3.50 -0.02 -1.26 -4.69 135.00 139.06 2fae n PRO 55 Ca -0.13 0.51 0.14 0.00 -2.02 0.00 0.00 63.50 62.00 2fae n PRO 55 Cb 0.47 -2.27 0.77 0.00 -0.02 0.00 0.00 33.50 32.45 2fae n PRO 55 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2fae h ASP 56 N 1.26 0.00 0.15 2.55 1.82 -1.99 -0.27 116.42 119.95 2fae h ASP 56 Ca -0.48 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.08 2fae h ASP 56 Cb 1.33 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.33 2fae h ASP 56 CO 0.55 0.00 -0.30 1.05 -1.61 0.00 0.00 179.24 178.94 2fae h GLU 57 N 0.00 0.23 0.16 0.28 4.11 -2.01 -2.34 114.58 115.01 2fae h GLU 57 Ca 0.07 -0.08 -0.33 0.00 0.07 0.00 0.00 59.36 59.09 2fae h GLU 57 Cb 0.32 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2fae h GLU 57 CO -0.00 0.51 -1.60 0.93 0.07 0.00 0.00 179.01 178.92 2fae h GLU 58 N 0.20 0.33 -0.73 1.06 5.08 -1.44 -3.36 114.58 115.73 2fae h GLU 58 Ca 0.03 -0.57 -0.03 0.00 -1.00 0.00 0.00 59.36 57.78 2fae h GLU 58 Cb 0.63 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 2fae h GLU 58 CO 0.05 1.23 0.32 0.00 -1.00 0.00 0.00 179.01 179.61 2fae h ALA 59 N 0.32 1.20 0.00 3.43 0.00 -1.16 -2.62 119.26 120.44 2fae h ALA 59 Ca -0.28 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2fae h ALA 59 Cb 2.06 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2fae h ALA 59 CO 0.18 0.60 0.00 0.93 0.00 0.00 0.00 179.25 180.96 2fae h GLU 60 N 1.04 0.00 0.00 0.00 4.39 -1.57 -1.84 114.58 116.61 2fae h GLU 60 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 2fae h GLU 60 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2fae h GLU 60 CO -0.03 0.00 -0.47 0.87 -1.16 0.00 0.00 179.01 178.22 2fae h LYS 61 N 0.00 0.00 -5.28 2.33 1.57 -1.64 -3.44 116.57 110.11 2fae h LYS 61 Ca 0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 2fae h LYS 61 Cb 0.13 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.28 2fae h LYS 61 CO 0.00 0.00 0.35 0.42 -0.57 0.00 0.00 179.45 179.65 2fae s ILE 62 N -3.21 4.56 -0.54 1.86 1.01 -0.69 -4.87 121.20 119.33 2fae s ILE 62 Ca 0.06 -0.37 0.07 0.00 0.00 0.00 0.00 60.65 60.40 2fae s ILE 62 Cb 0.11 -4.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.03 2fae s ILE 62 CO 0.70 -1.17 0.45 0.35 0.00 0.00 0.00 174.94 175.28 2fae n THR 63 N 5.84 0.00 -4.32 2.92 -2.24 -1.26 -4.98 114.28 110.25 2fae n THR 63 Ca -0.04 -0.41 -0.17 0.00 -2.27 0.00 0.00 64.05 61.16 2fae n THR 63 Cb 0.45 1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 69.64 2fae n THR 63 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2fae s THR 64 N -1.22 1.40 0.15 4.28 -4.23 -1.26 -1.21 115.64 113.56 2fae s THR 64 Ca 0.05 -2.12 -0.16 0.00 -1.18 0.00 0.00 61.69 58.28 2fae s THR 64 Cb 0.05 -2.07 0.03 0.00 1.34 0.00 0.00 72.50 71.86 2fae s THR 64 CO 0.20 -0.57 1.73 0.58 -0.54 0.00 0.00 174.62 176.01 2fae h VAL 65 N 2.59 0.83 -0.86 2.29 2.07 -1.43 -1.92 116.25 119.82 2fae h VAL 65 Ca -0.38 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.10 2fae h VAL 65 Cb 1.21 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 2fae h VAL 65 CO 0.64 0.03 0.56 -0.61 0.02 0.00 0.00 177.57 178.21 2fae h GLN 66 N 0.19 1.08 -0.72 1.57 5.75 -1.67 -1.96 115.11 119.35 2fae h GLN 66 Ca 0.16 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.59 2fae h GLN 66 Cb 0.18 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 2fae h GLN 66 CO -0.22 0.71 0.40 0.00 -2.65 0.00 0.00 178.83 177.08 2fae h ALA 67 N 1.34 1.35 -0.33 3.38 0.00 -1.68 -0.67 119.26 122.65 2fae h ALA 67 Ca 0.33 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 2fae h ALA 67 Cb -0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 2fae h ALA 67 CO -0.10 0.54 -0.46 0.00 0.00 0.00 0.00 179.25 179.23 2fae h ALA 68 N 1.44 0.51 -0.21 0.00 0.00 -0.88 -1.98 119.26 118.14 2fae h ALA 68 Ca 0.25 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2fae h ALA 68 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2fae h ALA 68 CO -0.04 0.67 0.14 0.82 0.00 0.00 0.00 179.25 180.83 2fae h ILE 69 N 0.71 1.06 -0.38 0.00 2.04 -1.01 -0.40 117.51 119.53 2fae h ILE 69 Ca 0.04 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 65.84 2fae h ILE 69 Cb 1.07 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 2fae h ILE 69 CO 0.11 0.06 0.05 0.44 0.00 0.00 0.00 178.15 178.80 2fae h ASP 70 N 0.28 -0.05 -0.09 1.72 3.32 -1.04 -0.08 116.42 120.48 2fae h ASP 70 Ca 0.08 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 2fae h ASP 70 Cb -0.02 0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 2fae h ASP 70 CO -0.02 0.01 0.05 0.22 -1.72 0.00 0.00 179.24 177.79 2fae h TYR 71 N 0.16 0.12 -0.46 4.55 3.20 -0.90 -1.91 116.97 121.74 2fae h TYR 71 Ca 0.18 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.07 2fae h TYR 71 Cb 0.23 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 2fae h TYR 71 CO -0.22 0.13 0.27 0.82 -1.64 0.00 0.00 178.16 177.52 2fae h ILE 72 N 0.08 1.04 -0.36 1.81 2.04 -0.75 0.12 117.51 121.49 2fae h ILE 72 Ca 0.03 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 2fae h ILE 72 Cb 0.04 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2fae h ILE 72 CO -0.01 0.10 0.04 0.78 0.00 0.00 0.00 178.15 179.06 2fae h ASN 73 N 0.54 0.51 1.22 1.72 2.35 -0.83 0.38 115.58 121.48 2fae h ASN 73 Ca 0.19 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.74 2fae h ASN 73 Cb 0.02 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2fae h ASN 73 CO -0.09 0.55 -0.53 1.23 -1.65 0.00 0.00 177.43 176.94 2fae h GLY 74 N 0.81 0.00 -0.04 2.83 0.00 -0.73 -3.38 103.07 102.56 2fae h GLY 74 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2fae h GLY 74 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.96 2fae n HIS 75 N -3.34 0.00 -1.82 5.60 8.25 0.35 -5.04 115.22 119.22 2fae n HIS 75 Ca 0.01 -0.02 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 2fae n HIS 75 Cb 0.69 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.77 2fae n HIS 75 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2fae s GLN 76 N -0.07 4.17 0.00 -0.41 0.74 0.13 -4.79 119.66 119.42 2fae s GLN 76 Ca 0.01 2.49 0.14 0.00 0.05 0.00 0.00 55.36 58.04 2fae s GLN 76 Cb 0.00 -3.25 0.11 0.00 1.10 0.00 0.00 33.01 30.97 2fae s GLN 76 CO 0.01 -0.71 0.94 0.00 -0.55 0.00 0.00 175.29 174.97