#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f55 n SER 2 N 0.00 0.67 -3.22 4.04 2.88 -1.26 -4.99 113.62 111.75 1f55 n SER 2 Ca 0.00 -0.56 0.00 0.00 -1.33 0.00 0.00 58.87 56.98 1f55 n SER 2 Cb 0.00 1.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.49 1f55 n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1f55 n ASN 3 N -1.20 0.00 0.00 -3.46 0.23 -1.26 -5.06 115.26 104.51 1f55 n ASN 3 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.06 1f55 n ASN 3 Cb 0.09 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 1f55 n ASN 3 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1f55 n LEU 4 N 0.00 0.00 0.00 -4.53 4.32 -1.26 -4.44 117.00 111.09 1f55 n LEU 4 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1f55 n LEU 4 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1f55 n LEU 4 CO 0.00 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 176.52 1f55 n THR 5 N 0.00 0.00 -0.45 -5.08 -2.24 -1.26 -0.86 114.28 104.39 1f55 n THR 5 Ca 0.00 0.00 0.37 0.00 -2.27 0.00 0.00 64.05 62.15 1f55 n THR 5 Cb 0.00 0.00 0.65 0.00 -2.10 0.00 0.00 70.33 68.88 1f55 n THR 5 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1f55 h GLU 6 N 0.00 0.08 -0.09 -0.78 4.11 -1.97 0.78 114.58 116.70 1f55 h GLU 6 Ca 0.00 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1f55 h GLU 6 Cb 0.00 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1f55 h GLU 6 CO 0.00 0.05 0.05 0.93 0.07 0.00 0.00 179.01 180.11 1f55 h GLU 7 N 0.08 0.14 -0.17 1.06 5.08 -1.27 0.23 114.58 119.74 1f55 h GLU 7 Ca 0.82 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 59.08 1f55 h GLU 7 Cb 2.60 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 31.82 1f55 h GLU 7 CO -0.41 0.21 -0.22 -0.56 -1.00 0.00 0.00 179.01 177.04 1f55 h GLN 8 N 0.03 0.45 0.35 2.33 3.07 0.79 -2.73 115.11 119.40 1f55 h GLN 8 Ca 0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 58.65 58.51 1f55 h GLN 8 Cb 0.12 0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.68 1f55 h GLN 8 CO -0.00 0.84 -0.36 0.82 0.09 0.00 0.00 178.83 180.22 1f55 h ILE 9 N 0.10 0.00 -0.89 1.86 2.04 -0.46 0.29 117.51 120.45 1f55 h ILE 9 Ca 0.02 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.10 1f55 h ILE 9 Cb 0.78 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.70 1f55 h ILE 9 CO 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 178.15 178.18 1f55 h ALA 10 N -1.15 0.93 -0.39 1.87 0.00 -0.60 0.70 119.26 120.61 1f55 h ALA 10 Ca -0.04 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1f55 h ALA 10 Cb 0.61 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1f55 h ALA 10 CO -0.05 -0.48 0.21 1.49 0.00 0.00 0.00 179.25 180.43 1f55 h GLU 11 N 0.05 0.55 -0.06 0.00 4.81 -1.06 -2.80 114.58 116.08 1f55 h GLU 11 Ca 0.50 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 1f55 h GLU 11 Cb 0.94 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 1f55 h GLU 11 CO -0.83 0.45 0.04 0.74 -0.73 0.00 0.00 179.01 178.68 1f55 h PHE 12 N 0.51 0.07 -0.82 0.92 0.04 0.39 -2.67 116.94 115.38 1f55 h PHE 12 Ca 0.14 0.00 0.13 0.00 2.80 0.00 0.00 57.97 61.04 1f55 h PHE 12 Cb 0.06 -0.02 -0.14 0.00 2.20 0.00 0.00 35.95 38.04 1f55 h PHE 12 CO -0.02 0.07 -0.36 0.87 -0.60 0.00 0.00 178.31 178.26 1f55 h LYS 13 N 0.06 -0.07 -0.59 1.51 1.57 -0.03 1.24 116.57 120.26 1f55 h LYS 13 Ca 0.02 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.91 1f55 h LYS 13 Cb 0.02 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.26 1f55 h LYS 13 CO -0.00 -0.04 0.18 0.93 -0.57 0.00 0.00 179.45 179.94 1f55 h GLU 14 N -0.07 0.33 -0.10 3.15 5.08 -1.25 -0.63 114.58 121.09 1f55 h GLU 14 Ca 0.30 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1f55 h GLU 14 Cb 0.58 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1f55 h GLU 14 CO -0.86 0.22 0.02 0.00 -1.00 0.00 0.00 179.01 177.39 1f55 h ALA 15 N 1.44 0.13 -0.16 3.43 0.00 0.94 -2.80 119.26 122.24 1f55 h ALA 15 Ca 0.31 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1f55 h ALA 15 Cb 0.41 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1f55 h ALA 15 CO -0.34 -0.23 -0.54 0.35 0.00 0.00 0.00 179.25 178.49 1f55 h PHE 16 N -0.07 -1.61 -0.81 0.00 3.57 0.21 0.02 116.94 118.26 1f55 h PHE 16 Ca 0.03 0.06 0.17 0.00 3.53 0.00 0.00 57.97 61.76 1f55 h PHE 16 Cb 0.28 0.72 -0.15 0.00 2.79 0.00 0.00 35.95 39.59 1f55 h PHE 16 CO 0.01 -0.54 -0.15 0.00 -2.23 0.00 0.00 178.31 175.41 1f55 h ALA 17 N -0.25 0.62 -0.88 2.41 0.00 -1.12 0.81 119.26 120.86 1f55 h ALA 17 Ca 0.04 0.30 0.24 0.00 0.00 0.00 0.00 54.91 55.49 1f55 h ALA 17 Cb 0.67 0.58 -0.14 0.00 0.00 0.00 0.00 17.79 18.90 1f55 h ALA 17 CO -0.45 -0.42 0.25 1.25 0.00 0.00 0.00 179.25 179.88 1f55 h LEU 18 N 0.02 0.03 0.11 0.00 7.12 -0.72 0.11 115.31 121.97 1f55 h LEU 18 Ca 0.41 0.20 -0.01 0.00 0.13 0.00 0.00 57.88 58.61 1f55 h LEU 18 Cb 0.66 0.26 0.00 0.00 -0.53 0.00 0.00 40.66 41.05 1f55 h LEU 18 CO -0.81 -0.15 -0.05 -0.26 -0.13 0.00 0.00 178.44 177.04 1f55 h PHE 19 N 0.22 -0.14 -0.02 1.25 0.04 0.96 -3.33 116.94 115.93 1f55 h PHE 19 Ca 0.56 -0.00 -0.64 0.00 2.80 0.00 0.00 57.97 60.69 1f55 h PHE 19 Cb 1.14 0.04 0.05 0.00 2.20 0.00 0.00 35.95 39.38 1f55 h PHE 19 CO -0.25 0.29 2.25 -3.47 -0.60 0.00 0.00 178.31 176.52 1f55 n ASP 20 N -4.95 2.52 -0.02 2.17 2.03 0.02 -3.75 116.55 114.58 1f55 n ASP 20 Ca -0.09 -2.68 0.22 0.00 0.52 0.00 0.00 54.79 52.76 1f55 n ASP 20 Cb 0.25 -1.13 0.51 0.00 -0.72 0.00 0.00 41.12 40.03 1f55 n ASP 20 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1f55 h LYS 21 N 7.98 0.00 0.00 -0.67 2.10 -1.67 2.06 116.57 126.37 1f55 h LYS 21 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 1f55 h LYS 21 Cb 0.68 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 1f55 h LYS 21 CO 1.94 0.00 -0.33 -0.44 -2.00 0.00 0.00 179.45 178.62 1f55 h ASP 22 N 0.00 0.00 -0.53 7.07 3.32 -1.87 -3.47 116.42 120.94 1f55 h ASP 22 Ca 0.31 -0.04 -0.23 0.00 0.02 0.00 0.00 57.03 57.09 1f55 h ASP 22 Cb 2.10 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 41.56 1f55 h ASP 22 CO -0.00 0.02 -0.21 0.59 -1.72 0.00 0.00 179.24 177.92 1f55 n ASN 23 N -2.66 -5.17 0.00 6.45 3.02 0.70 -4.81 115.26 112.79 1f55 n ASN 23 Ca 0.03 0.28 0.04 0.00 -0.03 0.00 0.00 54.58 54.90 1f55 n ASN 23 Cb 0.50 -3.66 0.22 0.00 -0.61 0.00 0.00 39.78 36.23 1f55 n ASN 23 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1f55 n ASN 24 N -0.76 0.00 -0.01 6.41 5.03 -1.26 -4.80 115.26 119.86 1f55 n ASN 24 Ca -0.11 -1.59 -0.00 0.00 0.87 0.00 0.00 54.58 53.75 1f55 n ASN 24 Cb 0.51 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 39.26 1f55 n ASN 24 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1f55 n GLY 25 N 0.52 0.47 3.05 7.41 0.00 -1.26 -5.01 105.19 110.36 1f55 n GLY 25 Ca 0.06 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 1f55 n GLY 25 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f55 s SER 26 N -2.31 0.17 0.42 1.61 1.04 -1.26 -3.58 113.70 109.80 1f55 s SER 26 Ca 0.00 -0.43 0.06 0.00 0.48 0.00 0.00 55.95 56.07 1f55 s SER 26 Cb 0.00 0.16 -0.07 0.00 0.10 0.00 0.00 66.02 66.21 1f55 s SER 26 CO 0.00 -0.37 0.04 -0.63 0.98 0.00 0.00 173.24 173.27 1f55 s ILE 27 N -1.69 1.96 0.00 -1.02 1.01 0.85 -4.59 121.20 117.72 1f55 s ILE 27 Ca -0.13 -1.94 0.00 0.00 0.00 0.00 0.00 60.65 58.58 1f55 s ILE 27 Cb -0.07 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.50 1f55 s ILE 27 CO -0.01 0.00 0.00 -1.54 0.00 0.00 0.00 174.94 173.39 1f55 n SER 28 N -1.06 1.28 0.00 3.58 3.41 -1.26 -2.61 113.62 116.96 1f55 n SER 28 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1f55 n SER 28 Cb 0.67 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 1f55 n SER 28 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1f55 n SER 29 N 0.00 0.00 -0.32 4.04 3.41 -1.26 -2.25 113.62 117.24 1f55 n SER 29 Ca 0.00 0.00 0.36 0.00 -0.26 0.00 0.00 58.87 58.97 1f55 n SER 29 Cb 0.00 0.00 0.70 0.00 -0.26 0.00 0.00 64.21 64.65 1f55 n SER 29 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1f55 h SER 30 N 0.00 0.00 0.00 4.04 0.02 -1.96 0.17 113.55 115.83 1f55 h SER 30 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1f55 h SER 30 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1f55 h SER 30 CO 0.00 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.07 1f55 n GLU 31 N -3.83 0.00 0.30 3.45 1.02 -1.25 -1.34 120.64 118.98 1f55 n GLU 31 Ca 0.27 0.36 0.20 0.00 -0.02 0.00 0.00 57.16 57.97 1f55 n GLU 31 Cb 1.40 -1.26 1.01 0.00 -0.02 0.00 0.00 31.44 32.56 1f55 n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1f55 h LEU 32 N 0.00 0.00 -0.42 -4.62 6.46 -0.96 -1.22 115.31 114.56 1f55 h LEU 32 Ca 0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 1f55 h LEU 32 Cb 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 1f55 h LEU 32 CO 0.00 0.00 -0.23 0.00 -0.62 0.00 0.00 178.44 177.59 1f55 h ALA 33 N 2.01 0.89 0.00 1.25 0.00 -0.62 -3.34 119.26 119.45 1f55 h ALA 33 Ca 0.00 -0.21 -0.28 0.00 0.00 0.00 0.00 54.91 54.43 1f55 h ALA 33 Cb 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1f55 h ALA 33 CO 0.00 0.28 1.21 2.41 0.00 0.00 0.00 179.25 183.15 1f55 n THR 34 N -3.21 2.52 -0.73 0.00 -1.04 -0.45 -3.49 114.28 107.87 1f55 n THR 34 Ca 0.02 -1.38 0.00 0.00 -2.04 0.00 0.00 64.05 60.65 1f55 n THR 34 Cb 0.55 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 67.02 1f55 n THR 34 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1f55 n VAL 35 N 3.22 0.08 1.04 12.58 0.31 -1.26 -4.74 118.33 129.55 1f55 n VAL 35 Ca 0.41 -0.17 0.11 0.00 -0.01 0.00 0.00 64.34 64.68 1f55 n VAL 35 Cb 0.44 1.49 0.08 0.00 -0.91 0.00 0.00 33.84 34.95 1f55 n VAL 35 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1f55 n MET 36 N -0.04 0.33 -0.29 5.55 2.81 -1.23 -4.44 117.12 119.82 1f55 n MET 36 Ca 0.00 -0.25 -0.06 0.00 -1.81 0.00 0.00 57.70 55.58 1f55 n MET 36 Cb 0.25 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.25 1f55 n MET 36 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1f55 h ARG 37 N 0.60 -0.11 0.00 0.03 1.12 -1.85 2.37 114.38 116.53 1f55 h ARG 37 Ca 0.00 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.88 1f55 h ARG 37 Cb 0.55 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.53 1f55 h ARG 37 CO 0.00 -0.08 0.00 0.77 -3.11 0.00 0.00 179.97 177.55 1f55 h SER 38 N -0.12 0.00 -0.21 -3.80 0.02 -1.97 -3.01 113.55 104.46 1f55 h SER 38 Ca 0.23 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.08 1f55 h SER 38 Cb 0.55 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.03 1f55 h SER 38 CO -0.82 0.00 -0.20 0.18 -1.14 0.00 0.00 176.83 174.85 1f55 n LEU 39 N -2.69 3.55 -1.14 5.07 4.32 0.40 -4.98 117.00 121.54 1f55 n LEU 39 Ca 0.02 -3.72 0.00 0.00 -0.02 0.00 0.00 56.01 52.29 1f55 n LEU 39 Cb 0.33 -0.58 0.00 0.00 -1.62 0.00 0.00 43.42 41.54 1f55 n LEU 39 CO 0.26 1.23 0.00 0.61 -1.22 0.00 0.00 177.39 178.27 1f55 n GLY 40 N -1.10 -0.64 3.54 -0.72 0.00 0.70 -4.83 105.19 102.14 1f55 n GLY 40 Ca 0.27 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1f55 n GLY 40 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1f55 n LEU 41 N -0.32 0.95 -2.70 0.99 0.00 0.48 -4.54 117.00 111.85 1f55 n LEU 41 Ca 0.00 -0.81 -0.07 0.00 0.00 0.00 0.00 56.01 55.14 1f55 n LEU 41 Cb 0.00 -1.28 0.10 0.00 0.00 0.00 0.00 43.42 42.25 1f55 n LEU 41 CO 0.00 -1.84 0.52 -0.24 0.00 0.00 0.00 177.39 175.83 1f55 n SER 42 N 13.85 -1.84 0.03 1.96 2.88 -1.26 -4.92 113.62 124.31 1f55 n SER 42 Ca 0.52 -2.43 -0.19 0.00 -1.33 0.00 0.00 58.87 55.44 1f55 n SER 42 Cb 0.33 1.07 -0.11 0.00 -0.75 0.00 0.00 64.21 64.75 1f55 n SER 42 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1f55 h PRO 43 N 1.96 0.60 -2.03 -1.46 0.13 -1.88 -3.50 132.00 125.83 1f55 h PRO 43 Ca -0.31 -0.65 0.00 0.00 -0.87 0.00 0.00 66.00 64.17 1f55 h PRO 43 Cb 1.28 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.60 1f55 h PRO 43 CO -0.08 1.26 -0.51 0.43 -0.23 0.00 0.00 178.00 178.87 1f55 n SER 44 N -3.98 -4.84 -0.26 1.44 7.64 -1.26 -2.53 113.62 109.83 1f55 n SER 44 Ca -0.11 0.87 0.11 0.00 1.01 0.00 0.00 58.87 60.75 1f55 n SER 44 Cb 0.81 -2.25 0.22 0.00 -1.01 0.00 0.00 64.21 61.98 1f55 n SER 44 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1f55 n GLU 45 N -1.59 -0.06 -0.16 1.43 4.07 -1.26 0.94 120.64 124.01 1f55 n GLU 45 Ca 0.00 1.11 -0.06 0.00 -0.06 0.00 0.00 57.16 58.15 1f55 n GLU 45 Cb 0.14 -1.76 0.00 0.00 -0.06 0.00 0.00 31.44 29.77 1f55 n GLU 45 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1f55 h ALA 46 N 1.47 -0.06 0.05 4.31 0.00 -1.99 0.77 119.26 123.82 1f55 h ALA 46 Ca 0.45 0.14 -0.25 0.00 0.00 0.00 0.00 54.91 55.25 1f55 h ALA 46 Cb 0.92 0.71 0.02 0.00 0.00 0.00 0.00 17.79 19.44 1f55 h ALA 46 CO -0.69 -0.67 -1.02 0.93 0.00 0.00 0.00 179.25 177.80 1f55 h GLU 47 N -0.19 0.60 0.23 0.00 4.39 0.86 -1.49 114.58 118.97 1f55 h GLU 47 Ca 0.21 -0.71 -0.01 0.00 0.34 0.00 0.00 59.36 59.19 1f55 h GLU 47 Cb 0.53 0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1f55 h GLU 47 CO -0.61 1.30 -0.17 0.28 -1.16 0.00 0.00 179.01 178.65 1f55 h VAL 48 N 0.21 0.00 -0.70 3.13 2.07 0.35 0.29 116.25 121.60 1f55 h VAL 48 Ca -0.14 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.43 1f55 h VAL 48 Cb 1.70 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 1f55 h VAL 48 CO 0.20 0.00 0.40 -1.13 0.02 0.00 0.00 177.57 177.06 1f55 h ASN 49 N -0.39 0.61 -0.62 0.57 -0.73 0.38 -2.07 115.58 113.33 1f55 h ASN 49 Ca -0.03 0.02 0.05 0.00 1.87 0.00 0.00 56.30 58.21 1f55 h ASN 49 Cb 0.32 -0.10 -0.05 0.00 0.27 0.00 0.00 38.32 38.76 1f55 h ASN 49 CO 0.01 0.40 0.35 -0.78 -0.37 0.00 0.00 177.43 177.04 1f55 h ASP 50 N 0.75 0.53 0.29 1.15 3.58 -1.09 0.94 116.42 122.57 1f55 h ASP 50 Ca 0.31 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.78 1f55 h ASP 50 Cb 0.16 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 1f55 h ASP 50 CO -0.17 0.35 -0.27 -0.07 -2.88 0.00 0.00 179.24 176.20 1f55 h LEU 51 N 0.66 -0.71 0.28 2.28 -0.00 0.28 2.03 115.31 120.13 1f55 h LEU 51 Ca 0.27 0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 58.20 1f55 h LEU 51 Cb 0.14 0.24 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 1f55 h LEU 51 CO -0.16 -0.39 -0.13 -0.03 -0.00 0.00 0.00 178.44 177.73 1f55 h MET 52 N -0.58 -0.36 -0.40 1.13 4.05 -1.17 -2.51 114.93 115.10 1f55 h MET 52 Ca -0.01 0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.36 1f55 h MET 52 Cb 0.52 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.39 1f55 h MET 52 CO -0.04 -0.23 -0.04 -0.97 0.23 0.00 0.00 176.91 175.86 1f55 h ASN 53 N -0.39 0.62 -0.90 1.39 -0.73 -0.68 0.47 115.58 115.37 1f55 h ASN 53 Ca -0.04 -0.15 0.08 0.00 1.87 0.00 0.00 56.30 58.06 1f55 h ASN 53 Cb 0.30 -0.17 -0.06 0.00 0.27 0.00 0.00 38.32 38.66 1f55 h ASN 53 CO 0.06 0.72 0.58 -0.08 -0.37 0.00 0.00 177.43 178.34 1f55 h GLU 54 N 0.61 0.93 0.00 6.67 4.81 0.36 -2.58 114.58 125.38 1f55 h GLU 54 Ca 0.12 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1f55 h GLU 54 Cb 0.44 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1f55 h GLU 54 CO 0.02 0.62 -1.87 -0.89 -0.73 0.00 0.00 179.01 176.16 1f55 n ILE 55 N -4.51 0.32 -1.64 2.32 5.41 -0.97 -4.94 119.36 115.35 1f55 n ILE 55 Ca 0.14 -0.56 -0.49 0.00 1.00 0.00 0.00 62.75 62.84 1f55 n ILE 55 Cb 0.25 -0.15 -0.05 0.00 -0.71 0.00 0.00 39.64 38.98 1f55 n ILE 55 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1f55 n ASP 56 N -2.41 2.50 -0.08 4.38 2.03 0.16 -4.70 116.55 118.44 1f55 n ASP 56 Ca -0.07 1.09 -0.05 0.00 0.52 0.00 0.00 54.79 56.28 1f55 n ASP 56 Cb 0.65 -1.31 -0.15 0.00 -0.72 0.00 0.00 41.12 39.59 1f55 n ASP 56 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1f55 n VAL 57 N 3.26 1.02 -0.07 5.18 0.24 -1.26 -4.53 118.33 122.18 1f55 n VAL 57 Ca 0.19 -0.74 -0.14 0.00 -2.04 0.00 0.00 64.34 61.61 1f55 n VAL 57 Cb 0.24 -0.37 -0.14 0.00 -1.47 0.00 0.00 33.84 32.10 1f55 n VAL 57 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1f55 n ASP 58 N -2.60 1.16 -0.27 -1.34 8.00 -1.26 -5.03 116.55 115.22 1f55 n ASP 58 Ca -0.25 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1f55 n ASP 58 Cb 0.99 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 42.08 1f55 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f55 n GLY 59 N 1.89 0.75 0.58 0.44 0.00 -1.26 -5.03 105.19 102.56 1f55 n GLY 59 Ca -0.32 -0.48 0.05 0.00 0.00 0.00 0.00 46.02 45.27 1f55 n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f55 n ASN 60 N -0.27 2.06 0.00 1.61 5.03 -1.26 -4.92 115.26 117.52 1f55 n ASN 60 Ca 0.00 -3.67 0.00 0.00 0.87 0.00 0.00 54.58 51.78 1f55 n ASN 60 Cb 0.10 -0.53 0.00 0.00 -1.02 0.00 0.00 39.78 38.34 1f55 n ASN 60 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1f55 n HIS 61 N -1.17 0.00 -3.55 3.10 8.25 -1.26 -4.90 115.22 115.70 1f55 n HIS 61 Ca 0.21 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.56 1f55 n HIS 61 Cb 0.74 -1.58 -0.03 0.00 1.12 0.00 0.00 29.99 30.25 1f55 n HIS 61 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1f55 s GLN 62 N -1.57 1.33 0.06 -0.41 -0.21 -1.26 -4.42 119.66 113.19 1f55 s GLN 62 Ca 0.00 -0.63 0.03 0.00 0.02 0.00 0.00 55.36 54.78 1f55 s GLN 62 Cb 0.00 0.57 -0.03 0.00 1.00 0.00 0.00 33.01 34.55 1f55 s GLN 62 CO 0.00 -0.58 -0.08 0.96 -2.12 0.00 0.00 175.29 173.47 1f55 s ILE 63 N -3.80 0.68 0.45 1.08 -5.25 -1.07 -4.75 121.20 108.54 1f55 s ILE 63 Ca 0.04 -1.37 0.08 0.00 -0.99 0.00 0.00 60.65 58.41 1f55 s ILE 63 Cb -0.01 -0.99 0.02 0.00 2.95 0.00 0.00 42.46 44.42 1f55 s ILE 63 CO -0.09 -0.50 0.58 -1.61 -1.79 0.00 0.00 174.94 171.54 1f55 s GLU 64 N -2.26 2.71 0.00 0.37 2.02 -1.26 -0.10 118.70 120.18 1f55 s GLU 64 Ca -0.02 -1.34 0.00 0.00 0.02 0.00 0.00 54.97 53.62 1f55 s GLU 64 Cb -0.06 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.48 1f55 s GLU 64 CO -0.01 -0.36 0.90 0.34 0.02 0.00 0.00 175.26 176.16 1f55 n PHE 65 N -1.88 0.00 -0.25 1.61 7.35 -1.23 -0.96 117.46 122.09 1f55 n PHE 65 Ca 0.09 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.91 1f55 n PHE 65 Cb 0.60 -0.40 0.26 0.00 0.35 0.00 0.00 39.48 40.28 1f55 n PHE 65 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1f55 n SER 66 N -2.39 -0.02 -0.23 -2.13 7.64 -1.26 0.25 113.62 115.48 1f55 n SER 66 Ca 0.00 1.25 -0.03 0.00 1.01 0.00 0.00 58.87 61.10 1f55 n SER 66 Cb 0.00 -0.48 0.08 0.00 -1.01 0.00 0.00 64.21 62.79 1f55 n SER 66 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1f55 h GLU 67 N 0.00 0.73 -0.07 1.43 5.08 -1.39 0.88 114.58 121.25 1f55 h GLU 67 Ca 0.48 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1f55 h GLU 67 Cb 1.06 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 1f55 h GLU 67 CO -0.67 0.49 0.04 0.35 -1.00 0.00 0.00 179.01 178.22 1f55 h PHE 68 N 0.76 0.09 -0.06 4.33 3.57 0.41 -1.24 116.94 124.80 1f55 h PHE 68 Ca 0.27 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.57 1f55 h PHE 68 Cb 0.07 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1f55 h PHE 68 CO -0.06 0.06 -0.81 -0.07 -2.23 0.00 0.00 178.31 175.20 1f55 h LEU 69 N 0.10 0.59 -0.13 0.59 -0.00 -0.18 0.20 115.31 116.47 1f55 h LEU 69 Ca 0.03 -0.41 0.01 0.00 -0.00 0.00 0.00 57.88 57.51 1f55 h LEU 69 Cb -0.00 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.47 1f55 h LEU 69 CO -0.01 1.18 0.03 0.00 -0.00 0.00 0.00 178.44 179.65 1f55 h ALA 70 N 0.80 0.14 0.13 1.53 0.00 0.11 -1.24 119.26 120.72 1f55 h ALA 70 Ca -0.05 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1f55 h ALA 70 Cb 1.42 0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.25 1f55 h ALA 70 CO 0.15 -0.42 -0.88 1.25 0.00 0.00 0.00 179.25 179.35 1f55 h LEU 71 N 0.09 0.43 0.00 0.00 6.46 -1.53 -3.39 115.31 117.37 1f55 h LEU 71 Ca 0.06 -0.94 0.00 0.00 -0.12 0.00 0.00 57.88 56.88 1f55 h LEU 71 Cb 0.04 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 39.83 1f55 h LEU 71 CO -0.07 1.41 0.00 0.80 -0.62 0.00 0.00 178.44 179.96 1f55 n MET 72 N -4.12 0.00 -2.08 1.25 1.56 0.69 -4.53 117.12 109.89 1f55 n MET 72 Ca -0.16 0.59 -0.41 0.00 -0.27 0.00 0.00 57.70 57.46 1f55 n MET 72 Cb 0.82 -1.44 -0.02 0.00 2.15 0.00 0.00 33.22 34.73 1f55 n MET 72 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1f55 s SER 73 N -2.31 6.73 0.50 6.12 0.15 -0.47 -4.98 113.70 119.44 1f55 s SER 73 Ca 0.00 2.65 -0.19 0.00 0.70 0.00 0.00 55.95 59.11 1f55 s SER 73 Cb 0.00 -2.63 -0.08 0.00 -1.71 0.00 0.00 66.02 61.60 1f55 s SER 73 CO 0.00 -0.61 1.03 -0.13 1.20 0.00 0.00 173.24 174.73 1f55 s ARG 74 N -1.01 3.76 0.00 5.44 1.81 -1.26 -4.73 118.95 122.96 1f55 s ARG 74 Ca 0.54 1.29 0.00 0.00 -1.72 0.00 0.00 55.73 55.84 1f55 s ARG 74 Cb -0.40 -2.09 0.00 0.00 -0.45 0.00 0.00 34.95 32.00 1f55 s ARG 74 CO 0.47 -0.46 0.00 0.00 -0.68 0.00 0.00 175.30 174.64 1f55 n GLN 75 N -1.17 2.62 -0.05 3.54 10.64 -1.26 -5.03 117.38 126.67 1f55 n GLN 75 Ca 0.09 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 55.24 1f55 n GLN 75 Cb 0.53 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.90 1f55 n GLN 75 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 1f55 h LEU 76 N 0.00 0.00 -1.77 2.61 7.12 -2.02 -3.56 115.31 117.69 1f55 h LEU 76 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1f55 h LEU 76 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1f55 h LEU 76 CO 0.00 0.50 0.00 1.17 -0.13 0.00 0.00 178.44 179.98