#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 0.00 -3.93 6.43 7.64 -1.26 -4.36 113.62 118.14 1f55 n SER 2 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.71 1f55 n SER 2 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 1f55 n SER 2 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1f55 s ASN 3 N -4.00 0.69 0.00 6.43 2.47 -1.26 -5.13 114.94 114.14 1f55 s ASN 3 Ca 0.00 -0.10 0.00 0.00 0.42 0.00 0.00 52.86 53.18 1f55 s ASN 3 Cb 0.00 -0.19 0.00 0.00 -1.45 0.00 0.00 41.25 39.61 1f55 s ASN 3 CO 0.00 0.02 0.00 0.18 -3.72 0.00 0.00 177.10 173.58 1f55 n LEU 4 N 3.38 0.00 0.00 3.21 4.32 -1.26 -4.38 117.00 122.27 1f55 n LEU 4 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.81 1f55 n LEU 4 Cb 0.55 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.35 1f55 n LEU 4 CO 0.25 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 176.77 1f55 n THR 5 N 0.00 0.00 -0.47 -5.08 -2.24 -1.26 -0.86 114.28 104.37 1f55 n THR 5 Ca 0.00 0.00 0.39 0.00 -2.27 0.00 0.00 64.05 62.17 1f55 n THR 5 Cb 0.00 0.00 0.67 0.00 -2.10 0.00 0.00 70.33 68.90 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 -0.11 -0.78 4.11 -1.97 0.80 114.58 116.70 1f55 h GLU 6 Ca 0.00 -0.00 -0.01 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 1.49 0.07 0.00 0.00 179.01 180.67 1f55 h GLU 7 N 0.08 0.16 -0.16 1.06 4.81 -1.25 0.18 114.58 119.47 1f55 h GLU 7 Ca 0.82 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.93 1f55 h GLU 7 Cb 2.69 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 32.04 1f55 h GLU 7 CO -0.34 0.25 -0.24 -0.56 -0.73 0.00 0.00 179.01 177.39 1f55 h GLN 8 N 0.03 0.44 0.30 1.92 3.07 0.84 -2.73 115.11 118.98 1f55 h GLN 8 Ca 0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 58.65 58.50 1f55 h GLN 8 Cb 0.15 0.03 -0.02 0.00 0.08 0.00 0.00 27.48 27.72 1f55 h GLN 8 CO -0.00 0.86 -0.34 0.82 0.09 0.00 0.00 178.83 180.26 1f55 h ILE 9 N 0.07 0.00 -0.87 1.86 2.04 -0.47 0.30 117.51 120.45 1f55 h ILE 9 Ca 0.01 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.08 1f55 h ILE 9 Cb 0.82 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.74 1f55 h ILE 9 CO 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 178.15 178.14 1f55 h ALA 10 N -1.15 0.83 -0.45 1.87 0.00 -0.71 0.67 119.26 120.31 1f55 h ALA 10 Ca -0.04 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1f55 h ALA 10 Cb 0.57 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1f55 h ALA 10 CO -0.06 -0.45 0.28 1.49 0.00 0.00 0.00 179.25 180.51 1f55 h GLU 11 N 0.04 0.61 -0.06 0.00 4.22 -1.06 -2.73 114.58 115.60 1f55 h GLU 11 Ca 0.47 -0.05 -0.00 0.00 0.08 0.00 0.00 59.36 59.86 1f55 h GLU 11 Cb 0.84 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1f55 h GLU 11 CO -0.82 0.43 0.03 0.74 -2.18 0.00 0.00 179.01 177.21 1f55 h PHE 12 N 0.61 0.08 -0.90 0.92 0.04 0.39 -2.68 116.94 115.39 1f55 h PHE 12 Ca 0.16 -0.00 0.13 0.00 2.80 0.00 0.00 57.97 61.06 1f55 h PHE 12 Cb -0.03 -0.03 -0.14 0.00 2.20 0.00 0.00 35.95 37.95 1f55 h PHE 12 CO -0.04 0.14 -0.42 0.87 -0.60 0.00 0.00 178.31 178.26 1f55 h LYS 13 N -0.00 -0.05 -0.62 1.51 1.57 0.08 1.35 116.57 120.42 1f55 h LYS 13 Ca 0.02 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.89 1f55 h LYS 13 Cb 0.09 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.34 1f55 h LYS 13 CO -0.00 -0.03 0.26 1.49 -0.57 0.00 0.00 179.45 180.59 1f55 h GLU 14 N -0.05 0.44 -0.21 3.15 4.81 -1.32 -1.56 114.58 119.85 1f55 h GLU 14 Ca 0.28 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1f55 h GLU 14 Cb 0.56 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1f55 h GLU 14 CO -0.91 0.29 0.07 0.00 -0.73 0.00 0.00 179.01 177.74 1f55 h ALA 15 N 1.40 0.27 -0.31 2.92 0.00 0.12 -2.81 119.26 120.85 1f55 h ALA 15 Ca 0.31 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1f55 h ALA 15 Cb 0.35 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1f55 h ALA 15 CO -0.28 -0.12 -0.53 0.35 0.00 0.00 0.00 179.25 178.67 1f55 h PHE 16 N 0.17 -1.62 -0.77 0.00 3.57 0.22 0.10 116.94 118.63 1f55 h PHE 16 Ca 0.07 0.07 0.17 0.00 3.53 0.00 0.00 57.97 61.81 1f55 h PHE 16 Cb 0.20 0.75 -0.14 0.00 2.79 0.00 0.00 35.95 39.55 1f55 h PHE 16 CO -0.00 -0.49 -0.03 0.00 -2.23 0.00 0.00 178.31 175.56 1f55 h ALA 17 N -0.18 0.75 -0.99 2.41 0.00 -1.32 0.73 119.26 120.66 1f55 h ALA 17 Ca 0.06 0.26 0.25 0.00 0.00 0.00 0.00 54.91 55.47 1f55 h ALA 17 Cb 0.60 0.46 -0.13 0.00 0.00 0.00 0.00 17.79 18.72 1f55 h ALA 17 CO -0.53 -0.43 0.57 1.25 0.00 0.00 0.00 179.25 180.12 1f55 h LEU 18 N 0.08 0.64 -0.07 0.00 6.46 -0.55 0.54 115.31 122.40 1f55 h LEU 18 Ca 0.41 0.14 -0.25 0.00 -0.12 0.00 0.00 57.88 58.06 1f55 h LEU 18 Cb 0.72 0.05 0.01 0.00 -0.73 0.00 0.00 40.66 40.71 1f55 h LEU 18 CO -0.70 0.08 -1.01 -0.26 -0.62 0.00 0.00 178.44 175.94 1f55 h PHE 19 N 0.55 0.85 0.00 1.25 0.04 0.97 -3.07 116.94 117.53 1f55 h PHE 19 Ca 0.64 -0.47 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1f55 h PHE 19 Cb 1.22 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 39.28 1f55 h PHE 19 CO -0.02 1.30 0.00 0.22 -0.60 0.00 0.00 178.31 179.21 1f55 h ASP 20 N 0.32 0.00 0.00 2.17 3.58 0.12 -1.75 116.42 120.86 1f55 h ASP 20 Ca -0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1f55 h ASP 20 Cb 1.66 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.71 1f55 h ASP 20 CO 0.19 0.00 0.00 0.29 -2.88 0.00 0.00 179.24 176.84 1f55 n LYS 21 N -2.59 0.00 -0.37 0.28 4.76 0.16 -3.83 118.16 116.57 1f55 n LYS 21 Ca 0.02 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.50 1f55 n LYS 21 Cb 0.28 0.00 0.20 0.00 -1.84 0.00 0.00 35.03 33.67 1f55 n LYS 21 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1f55 n ASP 22 N 0.82 2.96 -2.29 4.39 5.68 -1.26 -4.87 116.55 121.98 1f55 n ASP 22 Ca 0.00 -2.31 -0.00 0.00 -0.50 0.00 0.00 54.79 51.98 1f55 n ASP 22 Cb 0.00 -0.48 -0.00 0.00 -1.14 0.00 0.00 41.12 39.50 1f55 n ASP 22 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1f55 n ASN 23 N 0.43 -0.87 0.00 -1.12 5.03 -1.25 -4.67 115.26 112.81 1f55 n ASN 23 Ca 0.14 0.43 0.09 0.00 0.87 0.00 0.00 54.58 56.11 1f55 n ASN 23 Cb 0.59 -0.94 0.51 0.00 -1.02 0.00 0.00 39.78 38.93 1f55 n ASN 23 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1f55 n ASN 24 N -1.15 0.00 0.00 6.41 4.05 -1.26 -4.79 115.26 118.52 1f55 n ASN 24 Ca -0.00 -0.44 0.00 0.00 0.45 0.00 0.00 54.58 54.59 1f55 n ASN 24 Cb 0.43 -0.06 0.00 0.00 1.23 0.00 0.00 39.78 41.38 1f55 n ASN 24 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1f55 n GLY 25 N 0.13 0.61 3.44 8.20 0.00 -1.26 -5.04 105.19 111.27 1f55 n GLY 25 Ca 0.12 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.48 -0.62 -0.15 1.61 1.04 -1.26 -4.33 113.70 107.51 1f55 s SER 26 Ca 0.00 1.12 -0.02 0.00 0.48 0.00 0.00 55.95 57.53 1f55 s SER 26 Cb 0.00 1.08 -0.02 0.00 0.10 0.00 0.00 66.02 67.18 1f55 s SER 26 CO 0.00 -0.20 -0.07 -0.63 0.98 0.00 0.00 173.24 173.32 1f55 s ILE 27 N 0.73 3.55 0.00 -1.02 1.01 0.24 -4.61 121.20 121.10 1f55 s ILE 27 Ca -0.04 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1f55 s ILE 27 Cb -0.05 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.88 1f55 s ILE 27 CO -0.05 0.50 0.00 -1.54 0.00 0.00 0.00 174.94 173.85 1f55 n SER 28 N 3.60 1.17 -0.07 3.58 3.41 -1.26 0.22 113.62 124.27 1f55 n SER 28 Ca -0.18 -0.55 -0.11 0.00 -0.26 0.00 0.00 58.87 57.77 1f55 n SER 28 Cb 0.52 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.49 1f55 n SER 28 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1f55 h SER 29 N 0.00 0.86 0.32 4.04 4.64 -1.88 -2.63 113.55 118.90 1f55 h SER 29 Ca 0.00 -0.40 -0.22 0.00 -0.47 0.00 0.00 61.79 60.70 1f55 h SER 29 Cb 0.00 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 1f55 h SER 29 CO 0.00 1.16 -0.90 -1.28 -0.87 0.00 0.00 176.83 174.94 1f55 h SER 30 N 0.65 0.52 0.40 4.97 0.87 -1.94 -2.40 113.55 116.62 1f55 h SER 30 Ca 0.05 -0.40 -0.02 0.00 -1.23 0.00 0.00 61.79 60.19 1f55 h SER 30 Cb 0.99 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1f55 h SER 30 CO 0.09 1.19 -0.19 -0.33 -0.53 0.00 0.00 176.83 177.06 1f55 h GLU 31 N 0.24 -0.52 -0.75 2.24 5.08 -1.77 -1.88 114.58 117.22 1f55 h GLU 31 Ca -0.07 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 1f55 h GLU 31 Cb 1.52 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 30.82 1f55 h GLU 31 CO 0.15 -0.35 0.39 -0.07 -1.00 0.00 0.00 179.01 178.14 1f55 h LEU 32 N -0.66 0.54 -1.93 1.33 3.38 -0.93 0.60 115.31 117.65 1f55 h LEU 32 Ca -0.06 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1f55 h LEU 32 Cb 0.41 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1f55 h LEU 32 CO 0.09 0.31 0.28 0.00 0.09 0.00 0.00 178.44 179.20 1f55 h ALA 33 N 1.43 2.26 -0.01 1.53 0.00 -1.43 0.78 119.26 123.82 1f55 h ALA 33 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1f55 h ALA 33 Cb 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1f55 h ALA 33 CO -0.26 -0.36 0.02 1.15 0.00 0.00 0.00 179.25 179.80 1f55 h THR 34 N 0.08 0.32 -0.14 0.00 2.02 -0.01 -1.34 112.91 113.84 1f55 h THR 34 Ca 0.18 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.41 1f55 h THR 34 Cb 0.63 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1f55 h THR 34 CO -0.02 0.00 0.20 0.58 0.37 0.00 0.00 175.52 176.65 1f55 h VAL 35 N 0.00 0.35 0.00 3.16 2.07 -0.90 0.33 116.25 121.27 1f55 h VAL 35 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1f55 h VAL 35 Cb 0.05 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1f55 h VAL 35 CO -0.00 0.00 0.00 0.23 0.02 0.00 0.00 177.57 177.82 1f55 n MET 36 N -3.60 0.53 -0.50 1.57 2.81 -0.51 -3.74 117.12 113.68 1f55 n MET 36 Ca 0.01 0.03 0.42 0.00 -1.81 0.00 0.00 57.70 56.36 1f55 n MET 36 Cb 0.31 -1.50 0.75 0.00 -0.71 0.00 0.00 33.22 32.07 1f55 n MET 36 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 1f55 h ARG 37 N 0.00 0.04 0.00 0.03 -0.00 -0.52 2.13 114.38 116.06 1f55 h ARG 37 Ca 0.00 -0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 59.86 1f55 h ARG 37 Cb 0.12 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.97 30.06 1f55 h ARG 37 CO 0.00 0.02 -1.82 0.45 -0.00 0.00 0.00 179.97 178.62 1f55 n SER 38 N -4.19 1.53 -0.20 0.08 2.88 -1.25 -4.34 113.62 108.13 1f55 n SER 38 Ca 0.35 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 58.00 1f55 n SER 38 Cb 1.57 1.29 0.55 0.00 -0.75 0.00 0.00 64.21 66.87 1f55 n SER 38 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1f55 n LEU 39 N -2.26 0.62 0.00 2.46 -0.00 0.67 -4.82 117.00 113.67 1f55 n LEU 39 Ca -0.12 -0.25 0.00 0.00 -0.00 0.00 0.00 56.01 55.64 1f55 n LEU 39 Cb 0.66 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 44.05 1f55 n LEU 39 CO 0.31 0.12 0.00 0.61 -0.00 0.00 0.00 177.39 178.43 1f55 n GLY 40 N 0.95 2.18 1.46 -3.96 0.00 0.55 -5.03 105.19 101.34 1f55 n GLY 40 Ca 0.16 -0.30 0.19 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 -0.86 -2.96 0.99 7.94 0.69 -4.86 117.00 117.94 1f55 n LEU 41 Ca 0.00 1.97 -0.14 0.00 -1.11 0.00 0.00 56.01 56.74 1f55 n LEU 41 Cb 0.00 -4.68 0.07 0.00 0.53 0.00 0.00 43.42 39.34 1f55 n LEU 41 CO 0.00 -3.10 0.09 -0.24 -1.11 0.00 0.00 177.39 173.03 1f55 n SER 42 N -4.35 -2.16 -3.30 1.96 2.88 -1.26 -4.95 113.62 102.44 1f55 n SER 42 Ca -0.03 -0.50 0.00 0.00 -1.33 0.00 0.00 58.87 57.00 1f55 n SER 42 Cb 0.68 -4.24 0.00 0.00 -0.75 0.00 0.00 64.21 59.91 1f55 n SER 42 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1f55 n PRO 43 N -3.50 1.03 -4.46 -1.46 -0.04 -1.26 -5.08 135.00 120.22 1f55 n PRO 43 Ca -0.23 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.03 1f55 n PRO 43 Cb 0.64 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.94 1f55 n PRO 43 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1f55 s SER 44 N -1.30 1.30 0.26 3.54 0.01 -1.26 -4.98 113.70 111.26 1f55 s SER 44 Ca 0.00 -0.20 0.10 0.00 1.31 0.00 0.00 55.95 57.16 1f55 s SER 44 Cb 0.00 -0.22 0.84 0.00 0.21 0.00 0.00 66.02 66.86 1f55 s SER 44 CO 0.00 0.11 1.18 1.21 0.41 0.00 0.00 173.24 176.15 1f55 n GLU 45 N 2.98 -0.05 -0.06 12.44 4.07 -1.26 0.13 120.64 138.88 1f55 n GLU 45 Ca -0.15 1.06 -0.07 0.00 -0.06 0.00 0.00 57.16 57.93 1f55 n GLU 45 Cb 0.55 -1.82 -0.01 0.00 -0.06 0.00 0.00 31.44 30.10 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 1.49 -0.01 0.03 4.31 0.00 -1.98 0.77 119.26 123.87 1f55 h ALA 46 Ca 0.57 0.09 -0.21 0.00 0.00 0.00 0.00 54.91 55.36 1f55 h ALA 46 Cb 1.40 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 1f55 h ALA 46 CO -0.62 -0.60 -0.98 0.93 0.00 0.00 0.00 179.25 177.98 1f55 h GLU 47 N -0.17 0.14 0.25 0.00 4.39 0.60 -2.19 114.58 117.61 1f55 h GLU 47 Ca 0.14 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1f55 h GLU 47 Cb 0.39 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1f55 h GLU 47 CO -0.37 1.01 -0.12 0.28 -1.16 0.00 0.00 179.01 178.65 1f55 h VAL 48 N 0.06 0.00 -0.82 3.13 2.07 0.38 -2.24 116.25 118.83 1f55 h VAL 48 Ca -0.05 -0.11 0.12 0.00 0.82 0.00 0.00 66.70 67.48 1f55 h VAL 48 Cb 1.66 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 1f55 h VAL 48 CO 0.15 0.00 0.53 -1.13 0.02 0.00 0.00 177.57 177.14 1f55 h ASN 49 N -0.45 0.63 -0.34 0.57 -1.24 0.38 -1.66 115.58 113.47 1f55 h ASN 49 Ca -0.03 0.02 0.03 0.00 0.71 0.00 0.00 56.30 57.03 1f55 h ASN 49 Cb 0.26 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.18 1f55 h ASN 49 CO 0.06 0.35 0.14 0.44 -1.29 0.00 0.00 177.43 177.13 1f55 h ASP 50 N 0.68 0.18 0.30 1.15 5.19 -1.37 0.62 116.42 123.16 1f55 h ASP 50 Ca 0.39 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.81 1f55 h ASP 50 Cb 0.57 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 1f55 h ASP 50 CO -0.16 0.14 -0.14 -0.07 -3.12 0.00 0.00 179.24 175.89 1f55 h LEU 51 N 0.30 -0.34 -0.76 1.55 3.38 -0.67 2.08 115.31 120.84 1f55 h LEU 51 Ca 0.15 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1f55 h LEU 51 Cb 0.10 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1f55 h LEU 51 CO -0.13 -0.23 0.29 -0.03 0.09 0.00 0.00 178.44 178.42 1f55 h MET 52 N -0.42 1.15 0.01 1.13 4.05 -1.25 -1.95 114.93 117.64 1f55 h MET 52 Ca -0.04 -0.22 -0.23 0.00 -0.28 0.00 0.00 59.70 58.93 1f55 h MET 52 Cb 0.32 -0.18 0.02 0.00 -0.80 0.00 0.00 31.60 30.96 1f55 h MET 52 CO 0.07 0.94 -0.89 -0.97 0.23 0.00 0.00 176.91 176.29 1f55 h ASN 53 N 1.11 0.78 -0.67 1.39 -1.24 0.47 -0.26 115.58 117.15 1f55 h ASN 53 Ca 0.25 -0.75 0.05 0.00 0.71 0.00 0.00 56.30 56.56 1f55 h ASN 53 Cb 0.24 -0.24 -0.05 0.00 0.73 0.00 0.00 38.32 39.00 1f55 h ASN 53 CO -0.02 1.43 0.39 -0.33 -1.29 0.00 0.00 177.43 177.61 1f55 h GLU 54 N 0.21 0.72 0.00 6.67 4.39 0.35 -1.64 114.58 125.28 1f55 h GLU 54 Ca -0.11 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1f55 h GLU 54 Cb 1.57 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 1f55 h GLU 54 CO 0.18 0.48 -0.46 1.51 -1.16 0.00 0.00 179.01 179.55 1f55 n ILE 55 N -4.74 0.28 -0.68 3.13 3.06 -0.75 -4.90 119.36 114.76 1f55 n ILE 55 Ca 0.08 -0.19 -0.31 0.00 -2.50 0.00 0.00 62.75 59.83 1f55 n ILE 55 Cb 0.14 -0.15 0.18 0.00 0.54 0.00 0.00 39.64 40.35 1f55 n ILE 55 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1f55 s ASP 56 N -3.90 2.64 -0.02 9.51 -1.08 -0.11 -4.56 116.67 119.15 1f55 s ASP 56 Ca 0.08 2.08 0.01 0.00 -0.52 0.00 0.00 52.55 54.20 1f55 s ASP 56 Cb 0.15 -2.53 -0.02 0.00 -1.46 0.00 0.00 42.92 39.06 1f55 s ASP 56 CO 0.68 -3.26 -0.01 1.33 0.52 0.00 0.00 175.17 174.43 1f55 n VAL 57 N -4.33 0.11 0.01 1.11 0.24 -1.26 -4.79 118.33 109.41 1f55 n VAL 57 Ca 0.10 -0.06 0.03 0.00 -2.04 0.00 0.00 64.34 62.38 1f55 n VAL 57 Cb 0.52 -0.78 -0.04 0.00 -1.47 0.00 0.00 33.84 32.07 1f55 n VAL 57 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1f55 n ASP 58 N -2.29 3.58 -0.75 -1.34 5.68 -1.26 -5.06 116.55 115.10 1f55 n ASP 58 Ca -0.03 -0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 1f55 n ASP 58 Cb 0.54 1.25 0.00 0.00 -1.14 0.00 0.00 41.12 41.78 1f55 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1f55 n GLY 59 N 2.14 0.37 0.86 6.12 0.00 -1.26 -5.02 105.19 108.40 1f55 n GLY 59 Ca -0.01 -0.48 0.01 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.54 2.31 0.00 1.61 5.03 -1.26 -4.91 115.26 117.50 1f55 n ASN 60 Ca 0.00 -3.71 0.00 0.00 0.87 0.00 0.00 54.58 51.74 1f55 n ASN 60 Cb 0.25 -0.58 0.00 0.00 -1.02 0.00 0.00 39.78 38.43 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 -1.10 0.00 -3.55 3.10 8.25 -1.26 -4.89 115.22 115.77 1f55 n HIS 61 Ca 0.26 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.66 1f55 n HIS 61 Cb 0.88 -1.11 -0.02 0.00 1.12 0.00 0.00 29.99 30.86 1f55 n HIS 61 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1f55 s GLN 62 N -0.98 0.62 0.10 -0.41 -2.07 -1.26 -3.84 119.66 111.81 1f55 s GLN 62 Ca 0.00 -0.23 0.08 0.00 -1.82 0.00 0.00 55.36 53.38 1f55 s GLN 62 Cb 0.00 0.28 -0.03 0.00 -1.09 0.00 0.00 33.01 32.16 1f55 s GLN 62 CO 0.00 -0.27 -0.20 0.96 -1.32 0.00 0.00 175.29 174.46 1f55 s ILE 63 N -2.83 1.65 0.00 3.63 -5.25 0.13 -4.85 121.20 113.69 1f55 s ILE 63 Ca 0.07 -1.50 0.00 0.00 -0.99 0.00 0.00 60.65 58.23 1f55 s ILE 63 Cb -0.01 -1.50 0.00 0.00 2.95 0.00 0.00 42.46 43.90 1f55 s ILE 63 CO -0.07 -0.06 0.00 1.21 -1.79 0.00 0.00 174.94 174.23 1f55 n GLU 64 N 1.15 1.52 0.00 0.37 4.07 -1.26 0.79 120.64 127.27 1f55 n GLU 64 Ca -0.20 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.90 1f55 n GLU 64 Cb 0.54 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.92 1f55 n GLU 64 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1f55 n PHE 65 N -0.73 0.00 -0.39 4.31 7.35 -1.26 -2.09 117.46 124.66 1f55 n PHE 65 Ca 0.00 0.00 0.32 0.00 -0.76 0.00 0.00 57.45 57.01 1f55 n PHE 65 Cb 0.00 -0.28 0.53 0.00 0.35 0.00 0.00 39.48 40.08 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 -1.33 0.13 -0.08 -2.13 7.64 -1.26 0.27 113.62 116.86 1f55 n SER 66 Ca 0.00 1.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.75 1f55 n SER 66 Cb 0.00 -0.49 -0.05 0.00 -1.01 0.00 0.00 64.21 62.66 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 0.57 -0.33 1.43 5.08 -1.89 -2.10 114.58 117.33 1f55 h GLU 67 Ca 0.67 -0.28 0.04 0.00 -1.00 0.00 0.00 59.36 58.79 1f55 h GLU 67 Cb 2.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.49 1f55 h GLU 67 CO -0.30 0.87 0.23 0.35 -1.00 0.00 0.00 179.01 179.15 1f55 h PHE 68 N 0.28 0.29 -0.16 4.33 3.57 0.45 -1.10 116.94 124.60 1f55 h PHE 68 Ca 0.04 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.37 1f55 h PHE 68 Cb 0.74 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 1f55 h PHE 68 CO 0.07 0.17 -0.65 -0.07 -2.23 0.00 0.00 178.31 175.60 1f55 h LEU 69 N 0.30 0.69 -0.44 0.59 -0.00 -1.05 0.38 115.31 115.78 1f55 h LEU 69 Ca 0.14 -0.41 0.01 0.00 -0.00 0.00 0.00 57.88 57.62 1f55 h LEU 69 Cb 0.18 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 40.62 1f55 h LEU 69 CO -0.03 1.16 0.28 0.00 -0.00 0.00 0.00 178.44 179.85 1f55 h ALA 70 N 0.84 0.55 0.09 1.53 0.00 -0.52 0.21 119.26 121.97 1f55 h ALA 70 Ca -0.02 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.57 1f55 h ALA 70 Cb 1.23 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1f55 h ALA 70 CO 0.12 -0.01 -1.53 1.25 0.00 0.00 0.00 179.25 179.09 1f55 h LEU 71 N 0.58 0.30 0.24 0.00 5.85 -1.47 -3.21 115.31 117.60 1f55 h LEU 71 Ca 0.16 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1f55 h LEU 71 Cb -0.05 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.88 1f55 h LEU 71 CO -0.04 1.37 -0.12 -0.03 -0.34 0.00 0.00 178.44 179.28 1f55 h MET 72 N 0.05 -0.31 0.00 1.25 4.05 -0.12 -3.36 114.93 116.50 1f55 h MET 72 Ca -0.24 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 1f55 h MET 72 Cb 1.99 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 32.86 1f55 h MET 72 CO 0.14 -0.21 -0.03 1.03 0.23 0.00 0.00 176.91 178.08 1f55 h SER 73 N -0.45 -0.08 -3.72 1.39 0.87 -1.13 -3.48 113.55 106.95 1f55 h SER 73 Ca -0.03 0.01 0.24 0.00 -1.23 0.00 0.00 61.79 60.77 1f55 h SER 73 Cb 0.25 0.03 -0.13 0.00 -0.44 0.00 0.00 62.40 62.10 1f55 h SER 73 CO 0.05 -0.03 -1.14 -1.14 -0.53 0.00 0.00 176.83 174.05 1f55 n ARG 74 N -2.61 -3.40 0.00 2.24 0.63 -1.21 -5.01 116.66 107.30 1f55 n ARG 74 Ca -0.00 2.74 0.00 0.00 -0.92 0.00 0.00 57.85 59.66 1f55 n ARG 74 Cb 0.02 -3.75 0.00 0.00 0.45 0.00 0.00 32.46 29.18 1f55 n ARG 74 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1f55 n GLN 75 N -3.76 3.81 -3.52 -0.14 7.27 -1.26 -4.83 117.38 114.96 1f55 n GLN 75 Ca -0.07 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.81 1f55 n GLN 75 Cb 0.60 0.00 0.08 0.00 2.41 0.00 0.00 30.24 33.33 1f55 n GLN 75 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1f55 n LEU 76 N 0.00 -3.74 -0.76 1.69 4.77 -1.26 -5.24 117.00 112.46 1f55 n LEU 76 Ca 0.00 -0.64 0.13 0.00 -0.03 0.00 0.00 56.01 55.47 1f55 n LEU 76 Cb 0.00 -3.03 0.28 0.00 -2.33 0.00 0.00 43.42 38.34 1f55 n LEU 76 CO 0.00 0.44 0.73 1.17 -1.33 0.00 0.00 177.39 178.40