#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rpr s THR 2 N 0.00 4.71 -0.50 3.17 2.01 -1.26 -4.94 115.64 118.83 1rpr s THR 2 Ca 0.00 0.80 0.23 0.00 0.31 0.00 0.00 61.69 63.04 1rpr s THR 2 Cb 0.00 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.78 1rpr s THR 2 CO 0.00 -0.60 1.17 0.11 -0.69 0.00 0.00 174.62 174.62 1rpr h LYS 3 N 1.09 0.00 0.00 4.92 6.56 -2.03 -3.22 116.57 123.89 1rpr h LYS 3 Ca -0.47 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.08 1rpr h LYS 3 Cb 1.19 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.84 1rpr h LYS 3 CO 0.63 0.00 -0.21 1.96 -2.06 0.00 0.00 179.45 179.77 1rpr h GLN 4 N 0.00 0.00 -0.63 3.15 7.50 -1.98 0.34 115.11 123.48 1rpr h GLN 4 Ca 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.13 1rpr h GLN 4 Cb 0.83 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.33 1rpr h GLN 4 CO 0.00 0.21 0.33 0.93 -1.50 0.00 0.00 178.83 178.79 1rpr h GLU 5 N 0.00 0.90 -0.07 1.46 5.08 -1.96 0.30 114.58 120.28 1rpr h GLU 5 Ca -0.00 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 1rpr h GLU 5 Cb 0.45 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1rpr h GLU 5 CO 0.03 0.70 -0.45 0.87 -1.00 0.00 0.00 179.01 179.15 1rpr h LYS 6 N 0.87 0.18 0.00 2.33 1.79 -1.12 0.53 116.57 121.14 1rpr h LYS 6 Ca 0.22 -0.09 -0.06 0.00 -2.18 0.00 0.00 60.65 58.54 1rpr h LYS 6 Cb 0.08 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1rpr h LYS 6 CO -0.03 0.60 -0.31 1.15 -1.08 0.00 0.00 179.45 179.78 1rpr h THR 7 N 0.14 0.67 0.37 -0.16 2.02 -0.08 -2.17 112.91 113.71 1rpr h THR 7 Ca 0.01 -1.43 -0.02 0.00 0.77 0.00 0.00 66.41 65.75 1rpr h THR 7 Cb 0.86 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1rpr h THR 7 CO 0.07 0.30 -0.18 0.00 0.37 0.00 0.00 175.52 176.08 1rpr h ALA 8 N 1.69 -0.49 0.00 6.16 0.00 0.18 0.15 119.26 126.95 1rpr h ALA 8 Ca -0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1rpr h ALA 8 Cb 0.92 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1rpr h ALA 8 CO 0.04 -0.52 -0.34 1.37 0.00 0.00 0.00 179.25 179.81 1rpr h LEU 9 N -1.01 0.00 -0.81 0.00 -0.00 -1.40 0.13 115.31 112.22 1rpr h LEU 9 Ca -0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.73 1rpr h LEU 9 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.15 1rpr h LEU 9 CO 0.08 0.34 -0.14 0.78 -0.00 0.00 0.00 178.44 179.50 1rpr h ASN 10 N 0.00 0.74 -0.36 0.17 2.35 -1.37 0.12 115.58 117.23 1rpr h ASN 10 Ca -0.00 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.50 1rpr h ASN 10 Cb 0.68 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 1rpr h ASN 10 CO 0.04 0.89 0.14 -0.03 -1.65 0.00 0.00 177.43 176.83 1rpr h MET 11 N 0.67 0.54 -0.29 0.81 4.05 0.57 -0.91 114.93 120.36 1rpr h MET 11 Ca 0.11 -0.10 0.03 0.00 -0.28 0.00 0.00 59.70 59.46 1rpr h MET 11 Cb 0.62 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 1rpr h MET 11 CO 0.04 0.53 0.20 0.00 0.23 0.00 0.00 176.91 177.91 1rpr h ALA 12 N 0.99 1.94 -0.61 0.39 0.00 -0.26 0.43 119.26 122.14 1rpr h ALA 12 Ca 0.12 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1rpr h ALA 12 Cb 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1rpr h ALA 12 CO -0.01 0.02 0.01 -0.09 0.00 0.00 0.00 179.25 179.18 1rpr h ARG 13 N 0.27 1.06 0.00 0.00 2.43 0.44 -1.45 114.38 117.14 1rpr h ARG 13 Ca 0.12 -0.33 -0.06 0.00 -0.81 0.00 0.00 59.98 58.90 1rpr h ARG 13 Cb 0.15 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1rpr h ARG 13 CO -0.02 1.03 -0.28 0.74 -1.51 0.00 0.00 179.97 179.93 1rpr h PHE 14 N 0.97 0.00 -0.45 2.20 0.04 0.94 -1.65 116.94 118.99 1rpr h PHE 14 Ca 0.17 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.86 1rpr h PHE 14 Cb 0.55 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.68 1rpr h PHE 14 CO 0.04 0.28 -0.07 0.82 -0.60 0.00 0.00 178.31 178.78 1rpr h ILE 15 N 0.00 1.25 -0.56 -0.55 2.04 0.44 0.73 117.51 120.86 1rpr h ILE 15 Ca -0.00 -1.10 -0.07 0.00 1.00 0.00 0.00 64.86 64.69 1rpr h ILE 15 Cb 0.83 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1rpr h ILE 15 CO 0.04 0.38 0.08 -0.09 0.00 0.00 0.00 178.15 178.56 1rpr h ARG 16 N 0.71 0.89 -0.84 2.37 2.43 -0.60 -0.69 114.38 118.64 1rpr h ARG 16 Ca 0.13 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1rpr h ARG 16 Cb 0.53 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 1rpr h ARG 16 CO 0.03 0.83 0.53 0.77 -1.51 0.00 0.00 179.97 180.63 1rpr h SER 17 N 0.84 0.99 -0.94 -3.80 0.02 -0.33 0.86 113.55 111.20 1rpr h SER 17 Ca 0.17 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1rpr h SER 17 Cb 0.38 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 1rpr h SER 17 CO 0.01 0.74 0.56 -0.61 -1.14 0.00 0.00 176.83 176.39 1rpr h GLN 18 N 1.16 1.28 -0.09 3.45 4.15 0.47 0.13 115.11 125.66 1rpr h GLN 18 Ca 0.31 -0.12 0.01 0.00 0.77 0.00 0.00 58.65 59.61 1rpr h GLN 18 Cb -0.09 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 27.33 1rpr h GLN 18 CO -0.06 0.90 0.06 1.15 -1.93 0.00 0.00 178.83 178.95 1rpr h THR 19 N 1.30 1.01 0.67 2.39 2.02 0.32 0.87 112.91 121.49 1rpr h THR 19 Ca 0.34 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.45 1rpr h THR 19 Cb -0.04 0.91 0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1rpr h THR 19 CO -0.06 0.02 -0.32 0.25 0.37 0.00 0.00 175.52 175.77 1rpr h LEU 20 N 0.09 -0.76 -1.94 2.58 7.12 0.67 -0.53 115.31 122.54 1rpr h LEU 20 Ca 0.03 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.04 1rpr h LEU 20 Cb 0.02 0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.35 1rpr h LEU 20 CO -0.01 -0.41 0.32 0.74 -0.13 0.00 0.00 178.44 178.95 1rpr h THR 21 N -1.13 0.00 0.13 1.05 2.02 -0.33 0.32 112.91 114.97 1rpr h THR 21 Ca -0.09 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 66.78 1rpr h THR 21 Cb 0.72 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1rpr h THR 21 CO 0.15 0.00 -1.52 -0.07 0.37 0.00 0.00 175.52 174.45 1rpr h LEU 22 N 0.00 0.44 0.04 2.58 3.38 -0.01 -3.33 115.31 118.41 1rpr h LEU 22 Ca 0.00 -0.58 0.02 0.00 0.09 0.00 0.00 57.88 57.40 1rpr h LEU 22 Cb 0.64 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1rpr h LEU 22 CO 0.00 1.48 -0.52 0.25 0.09 0.00 0.00 178.44 179.74 1rpr h LEU 23 N 0.08 -1.60 -0.66 1.67 5.85 0.12 0.30 115.31 121.07 1rpr h LEU 23 Ca -0.24 0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.74 1rpr h LEU 23 Cb 2.03 0.60 -0.11 0.00 0.37 0.00 0.00 40.66 43.55 1rpr h LEU 23 CO 0.17 -0.53 -0.46 -0.33 -0.34 0.00 0.00 178.44 176.95 1rpr h GLU 24 N -0.69 -0.19 -0.58 1.25 3.07 -1.71 0.19 114.58 115.92 1rpr h GLU 24 Ca 0.01 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 59.00 1rpr h GLU 24 Cb 0.73 0.04 -0.09 0.00 -0.84 0.00 0.00 28.75 28.59 1rpr h GLU 24 CO -0.33 -0.12 0.07 0.87 -1.40 0.00 0.00 179.01 178.10 1rpr h LYS 25 N -0.19 0.19 -0.54 2.33 1.57 -1.45 0.10 116.57 118.58 1rpr h LYS 25 Ca 0.18 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.02 1rpr h LYS 25 Cb 0.55 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 1rpr h LYS 25 CO -0.74 0.12 0.36 -0.07 -0.57 0.00 0.00 179.45 178.55 1rpr h LEU 26 N 0.19 0.41 0.19 2.94 3.38 0.14 0.22 115.31 122.78 1rpr h LEU 26 Ca 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1rpr h LEU 26 Cb 0.47 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1rpr h LEU 26 CO -0.44 0.26 -0.09 0.78 0.09 0.00 0.00 178.44 179.05 1rpr h ASN 27 N 0.46 -0.21 0.24 -0.43 2.35 0.21 0.27 115.58 118.47 1rpr h ASN 27 Ca 0.24 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 1rpr h ASN 27 Cb 0.34 0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 1rpr h ASN 27 CO -0.06 0.25 -0.11 -0.33 -1.65 0.00 0.00 177.43 175.52 1rpr h GLU 28 N -0.74 0.00 -0.55 0.81 4.39 -0.87 -0.52 114.58 117.11 1rpr h GLU 28 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1rpr h GLU 28 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1rpr h GLU 28 CO 0.04 0.11 0.00 1.28 -1.16 0.00 0.00 179.01 179.29 1rpr n LEU 29 N -3.89 2.57 -3.44 1.33 4.77 0.73 -4.92 117.00 114.16 1rpr n LEU 29 Ca -0.02 -1.29 -0.16 0.00 -0.03 0.00 0.00 56.01 54.50 1rpr n LEU 29 Cb 0.21 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1rpr n LEU 29 CO 0.31 0.47 -0.02 -0.67 -1.33 0.00 0.00 177.39 176.16 1rpr n ASP 30 N 0.48 -6.18 -2.92 -1.43 2.03 -0.20 -4.92 116.55 103.41 1rpr n ASP 30 Ca 0.13 -0.47 -0.14 0.00 0.52 0.00 0.00 54.79 54.83 1rpr n ASP 30 Cb 0.49 -3.23 -0.00 0.00 -0.72 0.00 0.00 41.12 37.66 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 -1.93 2.81 -0.34 -1.67 0.00 0.93 -4.91 120.51 115.40 1rpr n ALA 31 Ca -0.15 -3.33 0.10 0.00 0.00 0.00 0.00 53.44 50.05 1rpr n ALA 31 Cb 0.61 -0.92 0.29 0.00 0.00 0.00 0.00 19.45 19.43 1rpr n ALA 31 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1rpr h ASP 32 N 2.99 0.84 -0.84 0.00 2.03 -1.89 0.39 116.42 119.93 1rpr h ASP 32 Ca 0.01 0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.38 1rpr h ASP 32 Cb 1.06 -0.10 -0.04 0.00 -0.83 0.00 0.00 39.33 39.41 1rpr h ASP 32 CO 0.52 0.41 0.54 1.05 -1.03 0.00 0.00 179.24 180.72 1rpr h GLU 33 N 0.88 1.12 0.00 4.15 4.11 -1.94 0.19 114.58 123.09 1rpr h GLU 33 Ca 0.51 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.86 1rpr h GLU 33 Cb 0.65 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1rpr h GLU 33 CO -0.29 0.76 0.00 1.04 0.07 0.00 0.00 179.01 180.60 1rpr n GLN 34 N -4.47 0.21 0.20 1.06 1.13 0.11 -2.17 117.38 113.45 1rpr n GLN 34 Ca 0.09 0.31 -0.12 0.00 -1.94 0.00 0.00 57.00 55.34 1rpr n GLN 34 Cb 0.03 -1.82 -0.07 0.00 0.11 0.00 0.00 30.24 28.49 1rpr n GLN 34 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1rpr h ALA 35 N 2.41 -0.56 -0.17 -1.58 0.00 0.21 0.52 119.26 120.09 1rpr h ALA 35 Ca 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1rpr h ALA 35 Cb 0.53 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 1rpr h ALA 35 CO 0.00 -0.61 -0.35 0.22 0.00 0.00 0.00 179.25 178.51 1rpr h ASP 36 N -0.97 -1.10 -0.54 0.00 3.58 -1.21 0.47 116.42 116.65 1rpr h ASP 36 Ca -0.06 0.16 0.13 0.00 0.42 0.00 0.00 57.03 57.68 1rpr h ASP 36 Cb 0.55 0.47 -0.03 0.00 1.72 0.00 0.00 39.33 42.04 1rpr h ASP 36 CO 0.09 -0.37 0.38 0.40 -2.88 0.00 0.00 179.24 176.86 1rpr h ILE 37 N -0.40 0.80 -0.20 2.25 1.08 -1.42 0.03 117.51 119.64 1rpr h ILE 37 Ca 0.10 -0.06 -0.12 0.00 -0.39 0.00 0.00 64.86 64.39 1rpr h ILE 37 Cb 0.57 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1rpr h ILE 37 CO -0.39 0.03 -0.36 0.00 -0.69 0.00 0.00 178.15 176.74 1rpr h GLU 39 N 0.27 0.18 -0.19 0.00 3.07 0.34 0.46 114.58 118.70 1rpr h GLU 39 Ca 0.01 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1rpr h GLU 39 Cb 0.96 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 1rpr h GLU 39 CO 0.08 0.32 0.13 0.77 -1.40 0.00 0.00 179.01 178.91 1rpr h SER 40 N -0.00 0.21 0.28 1.42 0.02 -1.02 0.35 113.55 114.81 1rpr h SER 40 Ca 0.04 -0.01 -0.20 0.00 -0.84 0.00 0.00 61.79 60.78 1rpr h SER 40 Cb 0.22 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1rpr h SER 40 CO -0.00 0.16 -0.81 0.25 -1.14 0.00 0.00 176.83 175.28 1rpr h LEU 41 N 0.25 0.51 0.74 5.07 5.85 0.30 -1.66 115.31 126.37 1rpr h LEU 41 Ca 0.07 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1rpr h LEU 41 Cb -0.02 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1rpr h LEU 41 CO -0.02 1.13 -0.49 -0.74 -0.34 0.00 0.00 178.44 177.98 1rpr h HIS 42 N 0.27 -1.33 -0.69 1.25 2.76 0.20 0.44 115.15 118.05 1rpr h HIS 42 Ca -0.05 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.05 1rpr h HIS 42 Cb 1.42 0.48 -0.03 0.00 1.55 0.00 0.00 27.41 30.83 1rpr h HIS 42 CO 0.05 -0.72 0.18 0.22 -1.30 0.00 0.00 177.93 176.36 1rpr h ASP 43 N -1.17 1.03 0.07 3.26 3.58 -1.30 -0.78 116.42 121.10 1rpr h ASP 43 Ca -0.10 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.11 1rpr h ASP 43 Cb 0.95 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.73 1rpr h ASP 43 CO 0.08 0.99 -0.05 -0.74 -2.88 0.00 0.00 179.24 176.63 1rpr h HIS 44 N 1.02 0.00 -0.09 0.28 2.76 -1.01 0.92 115.15 119.04 1rpr h HIS 44 Ca 0.22 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.20 1rpr h HIS 44 Cb 0.35 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.31 1rpr h HIS 44 CO 0.03 0.05 -0.74 0.00 -1.30 0.00 0.00 177.93 175.97 1rpr h ALA 45 N 1.95 0.56 0.00 5.26 0.00 0.93 -0.85 119.26 127.10 1rpr h ALA 45 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1rpr h ALA 45 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1rpr h ALA 45 CO 0.01 0.75 0.00 0.22 0.00 0.00 0.00 179.25 180.23 1rpr h ASP 46 N 0.31 0.00 0.31 0.00 3.58 0.12 -0.95 116.42 119.78 1rpr h ASP 46 Ca -0.03 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.17 1rpr h ASP 46 Cb 1.32 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.38 1rpr h ASP 46 CO 0.13 0.00 -1.05 -0.08 -2.88 0.00 0.00 179.24 175.36 1rpr h GLU 47 N 0.00 0.46 -0.13 0.28 4.57 0.19 0.26 114.58 120.21 1rpr h GLU 47 Ca 0.00 -0.55 -0.06 0.00 -1.18 0.00 0.00 59.36 57.58 1rpr h GLU 47 Cb 0.53 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 1rpr h GLU 47 CO 0.00 1.19 -0.18 1.25 -1.18 0.00 0.00 179.01 180.10 1rpr h LEU 48 N 0.23 0.20 -0.27 1.64 5.85 -0.14 0.11 115.31 122.94 1rpr h LEU 48 Ca -0.11 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.46 1rpr h LEU 48 Cb 1.71 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.68 1rpr h LEU 48 CO 0.19 0.40 -0.25 0.22 -0.34 0.00 0.00 178.44 178.65 1rpr h TYR 49 N 0.20 0.77 0.52 1.25 3.20 -0.56 -0.36 116.97 121.99 1rpr h TYR 49 Ca 0.04 -0.23 -0.03 0.00 3.14 0.00 0.00 58.73 61.65 1rpr h TYR 49 Cb 0.43 -0.16 0.01 0.00 1.54 0.00 0.00 36.73 38.55 1rpr h TYR 49 CO 0.01 0.95 -0.25 0.00 -1.64 0.00 0.00 178.16 177.22 1rpr h ARG 50 N 0.37 -0.68 -0.84 1.82 3.08 0.27 0.13 114.38 118.54 1rpr h ARG 50 Ca 0.04 0.05 0.18 0.00 0.07 0.00 0.00 59.98 60.32 1rpr h ARG 50 Cb 0.81 0.15 -0.11 0.00 0.08 0.00 0.00 29.97 30.91 1rpr h ARG 50 CO 0.06 -0.45 0.36 0.77 -1.07 0.00 0.00 179.97 179.64 1rpr h SER 51 N -0.84 0.34 0.65 7.04 0.02 -0.89 0.27 113.55 120.13 1rpr h SER 51 Ca -0.07 0.13 -0.13 0.00 -0.84 0.00 0.00 61.79 60.87 1rpr h SER 51 Cb 0.54 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 1rpr h SER 51 CO 0.12 0.08 -0.64 0.00 -1.14 0.00 0.00 176.83 175.24 1rpr h LEU 53 N 0.00 0.00 -1.14 0.00 5.85 0.23 0.29 115.31 120.54 1rpr h LEU 53 Ca -0.01 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 1rpr h LEU 53 Cb 1.14 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1rpr h LEU 53 CO 0.08 0.19 -0.42 0.00 -0.34 0.00 0.00 178.44 177.95 1rpr h ALA 54 N 1.81 1.26 0.00 1.25 0.00 0.06 0.54 119.26 124.19 1rpr h ALA 54 Ca -0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1rpr h ALA 54 Cb 0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1rpr h ALA 54 CO 0.02 0.53 -0.69 -0.09 0.00 0.00 0.00 179.25 179.03 1rpr h ARG 55 N 0.00 0.00 -0.00 0.00 9.65 -0.43 -3.37 114.38 120.23 1rpr h ARG 55 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1rpr h ARG 55 Cb 0.77 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 1rpr h ARG 55 CO 0.06 0.14 -0.20 1.19 2.80 0.00 0.00 179.97 183.95 1rpr n PHE 56 N -2.94 0.00 -1.80 2.20 3.72 0.70 -4.93 117.46 114.41 1rpr n PHE 56 Ca -0.00 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.10 1rpr n PHE 56 Cb 0.63 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.13 1rpr n PHE 56 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1rpr s GLY 57 N -1.29 -0.21 0.00 1.37 0.00 0.19 -4.02 107.32 103.36 1rpr s GLY 57 Ca 0.06 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.11 1rpr s GLY 57 CO 0.22 3.81 0.00 2.09 0.00 0.00 0.00 173.10 179.23 1rpr n ASP 58 N 15.17 0.00 0.00 1.64 5.75 -1.18 -4.84 116.55 133.08 1rpr n ASP 58 Ca 0.35 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 55.24 1rpr n ASP 58 Cb 0.50 0.22 0.51 0.00 -1.03 0.00 0.00 41.12 41.32 1rpr n ASP 58 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1rpr n ASP 59 N -1.94 0.00 -1.29 -1.12 8.00 -1.22 -4.83 116.55 114.15 1rpr n ASP 59 Ca 0.00 0.36 -0.01 0.00 0.71 0.00 0.00 54.79 55.85 1rpr n ASP 59 Cb 0.00 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 1rpr n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rpr n GLY 60 N 0.80 1.35 0.10 0.44 0.00 -0.45 -4.99 105.19 102.44 1rpr n GLY 60 Ca 0.07 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 1rpr n GLY 60 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1rpr n GLU 61 N -0.09 0.68 -0.40 1.61 -0.00 -1.26 -4.22 120.64 116.96 1rpr n GLU 61 Ca -0.00 0.08 0.08 0.00 -0.00 0.00 0.00 57.16 57.31 1rpr n GLU 61 Cb 0.08 -1.58 0.24 0.00 -0.00 0.00 0.00 31.44 30.18 1rpr n GLU 61 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1rpr n ASN 62 N -2.91 3.74 0.00 -1.84 5.15 -1.26 -4.86 115.26 113.28 1rpr n ASN 62 Ca -0.32 -2.75 0.00 0.00 -0.60 0.00 0.00 54.58 50.91 1rpr n ASN 62 Cb 1.11 -0.47 0.00 0.00 -0.53 0.00 0.00 39.78 39.89 1rpr n ASN 62 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66