#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rpr n THR 2 N 0.00 0.00 -0.01 1.12 -1.04 -1.26 -4.77 114.28 108.32 1rpr n THR 2 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1rpr n THR 2 Cb 0.00 -0.19 -0.14 0.00 -1.82 0.00 0.00 70.33 68.18 1rpr n THR 2 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1rpr h LYS 3 N 0.00 0.06 0.30 -2.82 3.11 -1.99 -3.31 116.57 111.91 1rpr h LYS 3 Ca 0.00 -0.10 0.00 0.00 -2.81 0.00 0.00 60.65 57.75 1rpr h LYS 3 Cb 0.00 0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.23 1rpr h LYS 3 CO 0.00 0.65 -0.42 1.96 -2.81 0.00 0.00 179.45 178.83 1rpr h GLN 4 N 0.02 -0.75 -0.95 1.90 7.50 -1.99 0.14 115.11 120.98 1rpr h GLN 4 Ca -0.31 0.05 0.10 0.00 0.50 0.00 0.00 58.65 59.00 1rpr h GLN 4 Cb 2.02 0.17 -0.08 0.00 0.05 0.00 0.00 27.48 29.64 1rpr h GLN 4 CO 0.08 -0.50 0.58 0.93 -1.50 0.00 0.00 178.83 178.43 1rpr h GLU 5 N -0.77 0.93 -0.32 1.46 3.07 -1.94 0.48 114.58 117.49 1rpr h GLU 5 Ca -0.02 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1rpr h GLU 5 Cb 0.73 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 1rpr h GLU 5 CO -0.14 0.61 0.19 0.87 -1.40 0.00 0.00 179.01 179.15 1rpr h LYS 6 N 0.96 0.42 -0.37 2.33 1.57 -1.27 0.34 116.57 120.55 1rpr h LYS 6 Ca 0.46 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 59.13 1rpr h LYS 6 Cb 0.40 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1rpr h LYS 6 CO -0.25 0.29 -0.07 1.15 -0.57 0.00 0.00 179.45 180.00 1rpr h THR 7 N 0.43 1.23 -0.11 -0.16 2.02 0.26 0.23 112.91 116.81 1rpr h THR 7 Ca 0.12 -1.01 -0.05 0.00 0.77 0.00 0.00 66.41 66.23 1rpr h THR 7 Cb -0.02 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1rpr h THR 7 CO -0.02 0.34 -0.16 0.00 0.37 0.00 0.00 175.52 176.05 1rpr h ALA 8 N 1.34 1.52 0.00 6.16 0.00 0.76 0.18 119.26 129.22 1rpr h ALA 8 Ca 0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1rpr h ALA 8 Cb 0.48 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1rpr h ALA 8 CO 0.03 0.34 -0.12 1.25 0.00 0.00 0.00 179.25 180.75 1rpr h LEU 9 N 0.17 0.00 -1.66 0.00 5.85 0.36 -0.32 115.31 119.70 1rpr h LEU 9 Ca 0.03 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1rpr h LEU 9 Cb 0.40 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1rpr h LEU 9 CO 0.03 0.12 -0.15 0.78 -0.34 0.00 0.00 178.44 178.88 1rpr h ASN 10 N 0.00 0.02 -0.31 1.25 -0.26 0.06 0.12 115.58 116.46 1rpr h ASN 10 Ca -0.00 -0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.71 1rpr h ASN 10 Cb 0.43 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.67 1rpr h ASN 10 CO 0.02 0.18 0.10 -0.03 -1.06 0.00 0.00 177.43 176.63 1rpr h MET 11 N 0.02 0.49 -0.34 0.81 4.05 -1.03 -1.03 114.93 117.90 1rpr h MET 11 Ca 0.00 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.31 1rpr h MET 11 Cb 0.28 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.99 1rpr h MET 11 CO 0.02 0.53 0.18 0.00 0.23 0.00 0.00 176.91 177.87 1rpr h ALA 12 N 0.94 1.68 -0.74 0.39 0.00 -1.06 0.06 119.26 120.53 1rpr h ALA 12 Ca 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1rpr h ALA 12 Cb 0.24 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1rpr h ALA 12 CO -0.00 0.27 0.39 -0.09 0.00 0.00 0.00 179.25 179.82 1rpr h ARG 13 N 0.47 1.03 -0.47 0.00 2.43 0.39 -1.20 114.38 117.04 1rpr h ARG 13 Ca 0.12 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1rpr h ARG 13 Cb 0.02 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1rpr h ARG 13 CO -0.02 0.77 0.02 0.74 -1.51 0.00 0.00 179.97 179.97 1rpr h PHE 14 N 1.04 0.80 -0.14 2.20 0.04 0.04 0.12 116.94 121.04 1rpr h PHE 14 Ca 0.26 -0.10 0.01 0.00 2.80 0.00 0.00 57.97 60.94 1rpr h PHE 14 Cb 0.05 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 37.96 1rpr h PHE 14 CO 0.01 0.74 0.07 0.82 -0.60 0.00 0.00 178.31 179.34 1rpr h ILE 15 N 0.72 1.00 -0.63 -0.55 2.04 -0.87 0.17 117.51 119.38 1rpr h ILE 15 Ca 0.14 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 1rpr h ILE 15 Cb 0.41 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1rpr h ILE 15 CO 0.02 0.03 0.24 -0.09 0.00 0.00 0.00 178.15 178.35 1rpr h ARG 16 N 0.15 0.92 -0.25 2.37 1.12 -0.77 -0.40 114.38 117.51 1rpr h ARG 16 Ca 0.06 -0.15 -0.06 0.00 -1.11 0.00 0.00 59.98 58.72 1rpr h ARG 16 Cb 0.01 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 29.80 1rpr h ARG 16 CO -0.04 0.76 -0.09 0.77 -3.11 0.00 0.00 179.97 178.26 1rpr h SER 17 N 0.91 0.39 -0.29 -3.80 0.02 0.25 0.80 113.55 111.83 1rpr h SER 17 Ca 0.21 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1rpr h SER 17 Cb 0.19 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1rpr h SER 17 CO -0.02 0.52 0.02 -0.61 -1.14 0.00 0.00 176.83 175.61 1rpr h GLN 18 N 0.39 0.60 -0.06 3.45 4.15 0.92 0.27 115.11 124.83 1rpr h GLN 18 Ca 0.08 -0.13 0.02 0.00 0.77 0.00 0.00 58.65 59.38 1rpr h GLN 18 Cb 0.41 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 1rpr h GLN 18 CO 0.02 0.61 0.05 1.15 -1.93 0.00 0.00 178.83 178.73 1rpr h THR 19 N 0.58 0.68 -0.41 2.39 2.02 0.19 0.25 112.91 118.60 1rpr h THR 19 Ca 0.12 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 1rpr h THR 19 Cb 0.34 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1rpr h THR 19 CO 0.01 0.00 0.18 0.25 0.37 0.00 0.00 175.52 176.33 1rpr h LEU 20 N 0.00 0.56 -1.96 2.58 5.85 -0.65 -0.57 115.31 121.11 1rpr h LEU 20 Ca 0.03 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.63 1rpr h LEU 20 Cb 0.13 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1rpr h LEU 20 CO -0.00 0.55 0.10 0.74 -0.34 0.00 0.00 178.44 179.49 1rpr h THR 21 N 0.53 0.95 -0.17 1.05 2.02 -0.47 0.23 112.91 117.05 1rpr h THR 21 Ca 0.14 -0.02 -0.12 0.00 0.77 0.00 0.00 66.41 67.18 1rpr h THR 21 Cb 0.15 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1rpr h THR 21 CO -0.02 0.01 -0.43 -0.07 0.37 0.00 0.00 175.52 175.39 1rpr h LEU 22 N 0.05 0.43 -0.55 2.58 -0.00 -0.45 -2.13 115.31 115.24 1rpr h LEU 22 Ca 0.07 -0.19 -0.01 0.00 -0.00 0.00 0.00 57.88 57.75 1rpr h LEU 22 Cb 0.20 -0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 40.72 1rpr h LEU 22 CO -0.01 0.81 0.31 0.25 -0.00 0.00 0.00 178.44 179.80 1rpr h LEU 23 N 0.33 0.68 0.04 1.67 5.85 0.33 0.06 115.31 124.27 1rpr h LEU 23 Ca 0.03 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1rpr h LEU 23 Cb 0.89 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1rpr h LEU 23 CO 0.07 0.56 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.30 1rpr h GLU 24 N 0.74 -0.15 -0.34 1.25 5.08 -0.83 0.76 114.58 121.08 1rpr h GLU 24 Ca 0.19 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.63 1rpr h GLU 24 Cb 0.03 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 1rpr h GLU 24 CO -0.03 -0.10 -0.01 0.87 -1.00 0.00 0.00 179.01 178.74 1rpr h LYS 25 N -0.16 0.08 -0.50 2.33 1.79 -1.31 0.25 116.57 119.06 1rpr h LYS 25 Ca -0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1rpr h LYS 25 Cb 0.15 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 1rpr h LYS 25 CO -0.04 0.05 0.33 -0.07 -1.08 0.00 0.00 179.45 178.64 1rpr h LEU 26 N 0.08 0.57 -0.61 2.94 3.38 -0.90 0.17 115.31 120.94 1rpr h LEU 26 Ca 0.16 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 1rpr h LEU 26 Cb 0.23 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1rpr h LEU 26 CO -0.29 0.41 -0.50 -1.13 0.09 0.00 0.00 178.44 177.03 1rpr h ASN 27 N 0.68 0.53 0.83 -0.43 -1.24 0.91 0.45 115.58 117.32 1rpr h ASN 27 Ca 0.18 -0.27 -0.06 0.00 0.71 0.00 0.00 56.30 56.86 1rpr h ASN 27 Cb -0.08 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 38.81 1rpr h ASN 27 CO -0.04 0.95 -0.28 -0.33 -1.29 0.00 0.00 177.43 176.44 1rpr h GLU 28 N 0.39 0.00 -0.59 6.67 5.08 0.11 -1.56 114.58 124.68 1rpr h GLU 28 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1rpr h GLU 28 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1rpr h GLU 28 CO 0.09 0.28 0.00 1.28 -1.00 0.00 0.00 179.01 179.66 1rpr n LEU 29 N -3.49 2.71 -2.94 1.33 4.32 0.43 -4.85 117.00 114.52 1rpr n LEU 29 Ca -0.00 -1.37 -0.16 0.00 -0.02 0.00 0.00 56.01 54.46 1rpr n LEU 29 Cb 0.44 -0.43 -0.01 0.00 -1.62 0.00 0.00 43.42 41.81 1rpr n LEU 29 CO 0.34 0.47 -0.08 -0.67 -1.22 0.00 0.00 177.39 176.24 1rpr n ASP 30 N 0.45 -3.25 -3.65 -1.43 2.03 -0.59 -4.78 116.55 105.34 1rpr n ASP 30 Ca 0.13 -0.07 -0.41 0.00 0.52 0.00 0.00 54.79 54.97 1rpr n ASP 30 Cb 0.53 -2.75 0.00 0.00 -0.72 0.00 0.00 41.12 38.18 1rpr n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rpr n ALA 31 N -2.91 6.17 -0.24 -1.67 0.00 0.10 -4.77 120.51 117.20 1rpr n ALA 31 Ca -0.05 -4.31 -0.10 0.00 0.00 0.00 0.00 53.44 48.98 1rpr n ALA 31 Cb 0.56 -2.68 -0.06 0.00 0.00 0.00 0.00 19.45 17.27 1rpr n ALA 31 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1rpr h ASP 32 N 4.89 -1.73 -0.08 0.00 3.58 -1.86 0.43 116.42 121.65 1rpr h ASP 32 Ca 0.55 0.26 0.04 0.00 0.42 0.00 0.00 57.03 58.30 1rpr h ASP 32 Cb 0.42 0.76 -0.05 0.00 1.72 0.00 0.00 39.33 42.17 1rpr h ASP 32 CO 1.45 -0.33 -0.27 1.05 -2.88 0.00 0.00 179.24 178.26 1rpr h GLU 33 N -0.22 -0.35 0.00 0.28 4.11 -1.96 0.29 114.58 116.72 1rpr h GLU 33 Ca 0.15 0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.61 1rpr h GLU 33 Cb 0.55 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1rpr h GLU 33 CO -0.73 -0.24 0.00 1.96 0.07 0.00 0.00 179.01 180.08 1rpr h GLN 34 N -0.37 0.00 -0.16 1.06 7.50 -1.67 -1.59 115.11 119.87 1rpr h GLN 34 Ca 0.09 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.15 1rpr h GLN 34 Cb 0.49 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.02 1rpr h GLN 34 CO -0.29 0.00 -0.24 0.00 -1.50 0.00 0.00 178.83 176.80 1rpr h ALA 35 N 2.03 0.25 -0.01 3.87 0.00 0.33 0.14 119.26 125.87 1rpr h ALA 35 Ca 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.55 1rpr h ALA 35 Cb 0.29 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1rpr h ALA 35 CO 0.00 0.22 -0.12 0.22 0.00 0.00 0.00 179.25 179.56 1rpr h ASP 36 N 0.08 -0.36 -0.56 0.00 3.58 -0.05 0.34 116.42 119.45 1rpr h ASP 36 Ca 0.02 0.06 0.08 0.00 0.42 0.00 0.00 57.03 57.60 1rpr h ASP 36 Cb 0.81 0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.98 1rpr h ASP 36 CO 0.06 -0.17 0.38 0.40 -2.88 0.00 0.00 179.24 177.02 1rpr h ILE 37 N -0.21 0.94 -0.07 2.25 1.08 -1.31 0.29 117.51 120.48 1rpr h ILE 37 Ca 0.05 -0.15 -0.13 0.00 -0.39 0.00 0.00 64.86 64.24 1rpr h ILE 37 Cb 0.27 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 1rpr h ILE 37 CO -0.13 0.08 -0.52 0.00 -0.69 0.00 0.00 178.15 176.89 1rpr h GLU 39 N 0.15 -0.83 -0.76 0.00 4.39 0.31 0.31 114.58 118.14 1rpr h GLU 39 Ca 0.00 0.06 0.18 0.00 0.34 0.00 0.00 59.36 59.94 1rpr h GLU 39 Cb 0.97 0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 29.77 1rpr h GLU 39 CO 0.08 -0.52 0.52 0.77 -1.16 0.00 0.00 179.01 178.70 1rpr h SER 40 N -1.14 0.26 0.18 1.42 0.02 -1.03 0.28 113.55 113.54 1rpr h SER 40 Ca -0.09 0.02 -0.22 0.00 -0.84 0.00 0.00 61.79 60.66 1rpr h SER 40 Cb 0.70 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1rpr h SER 40 CO 0.14 0.12 -0.86 0.25 -1.14 0.00 0.00 176.83 175.35 1rpr h LEU 41 N 0.27 0.64 -0.22 5.07 5.85 -0.35 -1.53 115.31 125.04 1rpr h LEU 41 Ca 0.38 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1rpr h LEU 41 Cb 1.08 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1rpr h LEU 41 CO -0.09 1.24 0.12 -0.74 -0.34 0.00 0.00 178.44 178.63 1rpr h HIS 42 N 0.32 0.30 0.45 1.25 2.76 0.30 0.16 115.15 120.69 1rpr h HIS 42 Ca -0.06 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.08 1rpr h HIS 42 Cb 1.47 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 30.34 1rpr h HIS 42 CO 0.06 0.26 -0.22 0.22 -1.30 0.00 0.00 177.93 176.96 1rpr h ASP 43 N 0.25 -0.52 -0.91 3.26 3.58 -0.88 -1.98 116.42 119.22 1rpr h ASP 43 Ca 0.08 -0.05 0.14 0.00 0.42 0.00 0.00 57.03 57.62 1rpr h ASP 43 Cb 0.06 0.13 -0.09 0.00 1.72 0.00 0.00 39.33 41.15 1rpr h ASP 43 CO -0.01 -0.27 0.52 -0.74 -2.88 0.00 0.00 179.24 175.86 1rpr h HIS 44 N -0.75 0.93 -0.31 0.28 2.76 -1.16 0.55 115.15 117.45 1rpr h HIS 44 Ca -0.06 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.11 1rpr h HIS 44 Cb 0.53 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.20 1rpr h HIS 44 CO -0.01 0.28 0.04 0.00 -1.30 0.00 0.00 177.93 176.94 1rpr h ALA 45 N 1.55 1.49 0.00 5.26 0.00 -0.49 0.92 119.26 127.99 1rpr h ALA 45 Ca 0.48 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 1rpr h ALA 45 Cb 0.61 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1rpr h ALA 45 CO -0.32 0.37 -0.28 0.22 0.00 0.00 0.00 179.25 179.24 1rpr h ASP 46 N 0.45 0.00 0.36 0.00 3.58 0.43 -3.00 116.42 118.24 1rpr h ASP 46 Ca 0.10 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.45 1rpr h ASP 46 Cb 0.24 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 1rpr h ASP 46 CO 0.00 0.28 -0.45 -0.08 -2.88 0.00 0.00 179.24 176.11 1rpr h GLU 47 N 0.00 0.11 -0.31 0.28 4.57 0.24 0.46 114.58 119.93 1rpr h GLU 47 Ca -0.00 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1rpr h GLU 47 Cb 1.20 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.78 1rpr h GLU 47 CO 0.04 0.54 0.21 1.25 -1.18 0.00 0.00 179.01 179.86 1rpr h LEU 48 N 0.09 0.20 0.00 1.64 5.85 -1.20 -3.30 115.31 118.60 1rpr h LEU 48 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1rpr h LEU 48 Cb 0.83 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1rpr h LEU 48 CO 0.06 0.14 0.00 0.00 -0.34 0.00 0.00 178.44 178.30 1rpr n TYR 49 N -4.49 0.00 0.00 1.25 9.36 -0.10 -4.56 117.16 118.62 1rpr n TYR 49 Ca 0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.25 1rpr n TYR 49 Cb 0.21 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.92 1rpr n TYR 49 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1rpr n ARG 50 N 0.00 0.00 -0.16 2.98 0.63 0.14 0.58 116.66 120.83 1rpr n ARG 50 Ca 0.00 0.00 0.19 0.00 -0.92 0.00 0.00 57.85 57.12 1rpr n ARG 50 Cb 0.00 0.00 0.56 0.00 0.45 0.00 0.00 32.46 33.47 1rpr n ARG 50 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1rpr h SER 51 N 0.00 0.29 0.49 6.15 0.02 -1.81 0.67 113.55 119.35 1rpr h SER 51 Ca 0.00 0.02 -0.19 0.00 -0.84 0.00 0.00 61.79 60.78 1rpr h SER 51 Cb 0.00 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1rpr h SER 51 CO 0.00 0.14 -0.81 0.00 -1.14 0.00 0.00 176.83 175.02 1rpr h LEU 53 N 0.14 0.27 0.00 0.00 5.85 0.59 0.73 115.31 122.89 1rpr h LEU 53 Ca -0.04 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1rpr h LEU 53 Cb 1.40 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.40 1rpr h LEU 53 CO 0.13 0.14 0.00 0.00 -0.34 0.00 0.00 178.44 178.37 1rpr n ALA 54 N -2.56 0.00 -0.07 1.25 0.00 -0.83 -3.10 120.51 115.20 1rpr n ALA 54 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.48 1rpr n ALA 54 Cb 0.57 0.49 -0.07 0.00 0.00 0.00 0.00 19.45 20.43 1rpr n ALA 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1rpr h ARG 55 N 0.00 0.00 0.00 0.00 2.43 -1.58 -3.49 114.38 111.74 1rpr h ARG 55 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1rpr h ARG 55 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1rpr h ARG 55 CO 0.00 0.57 0.00 0.34 -1.51 0.00 0.00 179.97 179.37 1rpr n PHE 56 N -4.64 0.00 0.00 2.20 7.35 0.18 -4.70 117.46 117.85 1rpr n PHE 56 Ca -0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.59 1rpr n PHE 56 Cb 0.34 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.17 1rpr n PHE 56 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1rpr n GLY 57 N 0.00 0.83 7.00 7.13 0.00 0.20 -4.60 105.19 115.74 1rpr n GLY 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1rpr n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rpr n ASP 58 N 0.00 0.00 -0.27 1.61 2.03 -0.91 -4.85 116.55 114.15 1rpr n ASP 58 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1rpr n ASP 58 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1rpr n ASP 58 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1rpr n ASP 59 N -1.66 -2.42 0.00 1.67 5.75 -1.26 -4.66 116.55 113.98 1rpr n ASP 59 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1rpr n ASP 59 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1rpr n ASP 59 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rpr n GLY 60 N 0.00 0.00 1.03 6.12 0.00 -1.26 -4.85 105.19 106.23 1rpr n GLY 60 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1rpr n GLY 60 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rpr n GLU 61 N -2.81 2.32 -0.76 1.61 -0.58 -1.26 -4.93 120.64 114.23 1rpr n GLU 61 Ca 0.00 -2.00 -0.13 0.00 -0.42 0.00 0.00 57.16 54.61 1rpr n GLU 61 Cb 0.37 -1.45 0.10 0.00 -0.57 0.00 0.00 31.44 29.89 1rpr n GLU 61 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1rpr n ASN 62 N 1.10 -0.30 -0.34 1.62 5.15 -1.26 -5.22 115.26 116.01 1rpr n ASN 62 Ca 0.19 -1.12 0.15 0.00 -0.60 0.00 0.00 54.58 53.19 1rpr n ASN 62 Cb 0.48 -0.45 0.65 0.00 -0.53 0.00 0.00 39.78 39.92 1rpr n ASN 62 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84