#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 0.00 2.03 -1.04 -1.26 -4.80 114.28 109.21 1rpr n THR 2 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1rpr n THR 2 Cb 0.00 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 67.65 1rpr n THR 2 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1rpr n LYS 3 N -0.68 0.00 0.27 -2.82 4.81 -1.26 -4.21 118.16 114.27 1rpr n LYS 3 Ca -0.03 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.51 1rpr n LYS 3 Cb 0.37 0.00 0.71 0.00 0.02 0.00 0.00 35.03 36.14 1rpr n LYS 3 CO 0.00 0.00 0.00 -0.56 1.17 0.00 0.00 177.40 178.01 1rpr h GLN 4 N 0.00 0.00 -0.97 1.64 -0.00 -1.99 0.12 115.11 113.91 1rpr h GLN 4 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.71 1rpr h GLN 4 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.42 1rpr h GLN 4 CO 0.00 0.01 0.62 1.05 -0.00 0.00 0.00 178.83 180.51 1rpr h GLU 5 N 0.00 1.11 0.00 0.06 9.09 -1.95 0.16 114.58 123.04 1rpr h GLU 5 Ca -0.00 -0.07 -0.13 0.00 0.05 0.00 0.00 59.36 59.22 1rpr h GLU 5 Cb 0.01 -0.25 -0.02 0.00 -1.65 0.00 0.00 28.75 26.85 1rpr h GLU 5 CO 0.00 0.73 -0.61 0.87 0.05 0.00 0.00 179.01 180.05 1rpr h LYS 6 N 1.14 0.00 -0.16 1.06 6.56 -1.16 -2.26 116.57 121.74 1rpr h LYS 6 Ca 0.41 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 60.00 1rpr h LYS 6 Cb 0.15 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.80 1rpr h LYS 6 CO -0.17 0.61 0.09 1.15 -2.06 0.00 0.00 179.45 179.07 1rpr h THR 7 N 0.00 1.11 -0.67 -0.16 2.02 -0.19 0.67 112.91 115.68 1rpr h THR 7 Ca -0.01 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 1rpr h THR 7 Cb 1.30 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.68 1rpr h THR 7 CO 0.08 0.10 0.30 0.00 0.37 0.00 0.00 175.52 176.37 1rpr h ALA 8 N 0.97 0.87 0.00 6.16 0.00 -1.17 0.29 119.26 126.38 1rpr h ALA 8 Ca 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1rpr h ALA 8 Cb 0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1rpr h ALA 8 CO -0.01 0.45 -0.04 1.25 0.00 0.00 0.00 179.25 180.91 1rpr h LEU 9 N 0.94 0.00 -0.09 0.00 5.85 -0.77 -0.09 115.31 121.15 1rpr h LEU 9 Ca 0.23 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.72 1rpr h LEU 9 Cb 0.15 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1rpr h LEU 9 CO -0.03 0.04 -1.02 0.78 -0.34 0.00 0.00 178.44 177.87 1rpr h ASN 10 N 0.00 0.27 -0.03 1.25 2.35 0.23 -2.19 115.58 117.47 1rpr h ASN 10 Ca -0.00 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1rpr h ASN 10 Cb 0.08 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1rpr h ASN 10 CO 0.00 1.13 0.00 0.24 -1.65 0.00 0.00 177.43 177.15 1rpr h MET 11 N 0.08 0.04 -0.75 0.81 2.86 0.52 0.45 114.93 118.95 1rpr h MET 11 Ca -0.07 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1rpr h MET 11 Cb 1.71 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.33 1rpr h MET 11 CO 0.16 0.30 0.44 0.00 1.06 0.00 0.00 176.91 178.86 1rpr h ALA 12 N 0.74 0.95 -0.19 6.32 0.00 -1.42 0.46 119.26 126.12 1rpr h ALA 12 Ca 0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1rpr h ALA 12 Cb 0.28 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1rpr h ALA 12 CO 0.00 0.44 -0.12 -0.09 0.00 0.00 0.00 179.25 179.48 1rpr h ARG 13 N 1.03 0.31 -0.23 0.00 2.43 -1.16 -2.22 114.38 114.54 1rpr h ARG 13 Ca 0.27 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.25 1rpr h ARG 13 Cb -0.01 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1rpr h ARG 13 CO -0.05 0.44 -0.30 0.35 -1.51 0.00 0.00 179.97 178.90 1rpr h PHE 14 N 0.29 0.74 -0.65 2.20 3.57 0.15 -2.34 116.94 120.89 1rpr h PHE 14 Ca 0.06 -0.24 -0.00 0.00 3.53 0.00 0.00 57.97 61.32 1rpr h PHE 14 Cb 0.39 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1rpr h PHE 14 CO 0.01 0.96 0.39 0.82 -2.23 0.00 0.00 178.31 178.26 1rpr h ILE 15 N 0.31 1.18 -0.52 1.41 2.04 -0.62 0.97 117.51 122.29 1rpr h ILE 15 Ca 0.03 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.50 1rpr h ILE 15 Cb 0.87 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1rpr h ILE 15 CO 0.07 0.19 0.31 -0.09 0.00 0.00 0.00 178.15 178.64 1rpr h ARG 16 N 0.90 0.61 -0.69 2.37 2.43 -1.16 0.49 114.38 119.32 1rpr h ARG 16 Ca 0.23 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.39 1rpr h ARG 16 Cb -0.03 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.34 1rpr h ARG 16 CO -0.04 0.40 0.44 0.77 -1.51 0.00 0.00 179.97 180.03 1rpr h SER 17 N 0.62 0.74 -0.89 -3.80 0.02 -0.38 0.49 113.55 110.35 1rpr h SER 17 Ca 0.20 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1rpr h SER 17 Cb 0.01 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 1rpr h SER 17 CO -0.09 0.52 0.52 1.56 -1.14 0.00 0.00 176.83 178.20 1rpr h GLN 18 N 0.88 1.22 -0.05 3.45 4.20 0.16 0.39 115.11 125.36 1rpr h GLN 18 Ca 0.27 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 1rpr h GLN 18 Cb -0.03 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.49 1rpr h GLN 18 CO -0.09 0.87 -0.24 1.15 -0.67 0.00 0.00 178.83 179.85 1rpr h THR 19 N 1.24 1.20 0.49 -0.54 2.02 0.31 0.56 112.91 118.18 1rpr h THR 19 Ca 0.32 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.55 1rpr h THR 19 Cb -0.02 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1rpr h THR 19 CO -0.06 0.27 -0.23 0.25 0.37 0.00 0.00 175.52 176.12 1rpr h LEU 20 N 0.07 -0.56 -2.83 2.58 7.12 0.10 0.19 115.31 121.99 1rpr h LEU 20 Ca 0.01 -0.06 0.00 0.00 0.13 0.00 0.00 57.88 57.96 1rpr h LEU 20 Cb 0.47 0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 40.75 1rpr h LEU 20 CO 0.03 -0.16 0.03 0.74 -0.13 0.00 0.00 178.44 178.96 1rpr h THR 21 N -1.06 0.09 -0.08 1.05 2.02 -0.82 0.14 112.91 114.25 1rpr h THR 21 Ca -0.07 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.99 1rpr h THR 21 Cb 0.58 0.97 0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1rpr h THR 21 CO 0.11 0.00 -0.42 0.25 0.37 0.00 0.00 175.52 175.83 1rpr h LEU 22 N 0.00 0.51 -0.52 2.58 5.85 0.62 -2.35 115.31 122.00 1rpr h LEU 22 Ca 0.00 -0.66 0.11 0.00 0.84 0.00 0.00 57.88 58.17 1rpr h LEU 22 Cb 0.07 -0.15 -0.10 0.00 0.37 0.00 0.00 40.66 40.85 1rpr h LEU 22 CO -0.00 1.08 -0.11 0.25 -0.34 0.00 0.00 178.44 179.32 1rpr h LEU 23 N -0.03 -0.46 0.07 2.25 7.12 0.13 0.73 115.31 125.12 1rpr h LEU 23 Ca -0.03 0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.14 1rpr h LEU 23 Cb 1.08 0.31 -0.02 0.00 -0.53 0.00 0.00 40.66 41.50 1rpr h LEU 23 CO 0.09 -0.16 -0.24 -0.33 -0.13 0.00 0.00 178.44 177.67 1rpr h GLU 24 N 0.01 -0.34 -0.82 1.25 5.08 -1.25 -0.01 114.58 118.50 1rpr h GLU 24 Ca 0.25 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.80 1rpr h GLU 24 Cb 0.39 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 1rpr h GLU 24 CO -0.53 -0.22 0.54 0.87 -1.00 0.00 0.00 179.01 178.67 1rpr h LYS 25 N -0.35 0.46 -0.52 2.33 1.79 -0.85 0.32 116.57 119.74 1rpr h LYS 25 Ca -0.00 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.32 1rpr h LYS 25 Cb 0.35 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 1rpr h LYS 25 CO -0.12 0.30 -0.14 -0.07 -1.08 0.00 0.00 179.45 178.33 1rpr h LEU 26 N 0.47 1.02 -1.59 2.94 4.07 -0.33 -1.67 115.31 120.22 1rpr h LEU 26 Ca 0.41 -0.35 -0.05 0.00 0.08 0.00 0.00 57.88 57.97 1rpr h LEU 26 Cb 0.90 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.36 1rpr h LEU 26 CO -0.15 1.15 -0.22 0.78 -1.08 0.00 0.00 178.44 178.92 1rpr h ASN 27 N 0.89 0.00 -0.74 -0.43 -0.26 0.15 0.12 115.58 115.31 1rpr h ASN 27 Ca 0.13 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.82 1rpr h ASN 27 Cb 0.71 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.94 1rpr h ASN 27 CO 0.05 0.22 0.27 -0.33 -1.06 0.00 0.00 177.43 176.59 1rpr h GLU 28 N 0.00 1.13 -1.15 0.81 5.08 -0.28 -1.98 114.58 118.18 1rpr h GLU 28 Ca -0.00 -0.22 -0.28 0.00 -1.00 0.00 0.00 59.36 57.85 1rpr h GLU 28 Cb 0.43 -0.17 -0.15 0.00 0.50 0.00 0.00 28.75 29.35 1rpr h GLU 28 CO 0.03 0.94 0.36 1.28 -1.00 0.00 0.00 179.01 180.62 1rpr n LEU 29 N -4.30 5.37 -3.97 1.33 4.77 -0.38 -4.83 117.00 114.99 1rpr n LEU 29 Ca 0.06 -2.79 -0.32 0.00 -0.03 0.00 0.00 56.01 52.93 1rpr n LEU 29 Cb 0.20 -0.78 -0.06 0.00 -2.33 0.00 0.00 43.42 40.45 1rpr n LEU 29 CO 0.41 0.91 -0.12 0.47 -1.33 0.00 0.00 177.39 177.73 1rpr n ASP 30 N -0.14 -1.57 -3.64 -1.43 8.00 -0.75 -4.75 116.55 112.28 1rpr n ASP 30 Ca 0.30 -0.84 -0.41 0.00 0.71 0.00 0.00 54.79 54.55 1rpr n ASP 30 Cb 0.94 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 1rpr n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rpr n ALA 31 N -3.55 6.21 -0.25 2.24 0.00 0.26 -4.65 120.51 120.77 1rpr n ALA 31 Ca 0.09 -4.24 0.06 0.00 0.00 0.00 0.00 53.44 49.35 1rpr n ALA 31 Cb 0.43 -2.77 0.19 0.00 0.00 0.00 0.00 19.45 17.30 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 4.98 0.17 0.04 0.00 2.03 -1.85 0.37 116.42 122.16 1rpr h ASP 32 Ca 0.57 0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.99 1rpr h ASP 32 Cb 0.42 0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 39.05 1rpr h ASP 32 CO 1.50 0.04 -0.08 -0.08 -1.03 0.00 0.00 179.24 179.59 1rpr h GLU 33 N 0.37 -0.13 -0.06 4.15 4.81 -1.97 -0.56 114.58 121.19 1rpr h GLU 33 Ca 0.42 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.67 1rpr h GLU 33 Cb 0.67 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 1rpr h GLU 33 CO -0.45 -0.09 0.11 1.96 -0.73 0.00 0.00 179.01 179.81 1rpr h GLN 34 N -0.13 0.00 -0.23 1.92 4.20 -1.81 -0.29 115.11 118.78 1rpr h GLN 34 Ca -0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 1rpr h GLN 34 Cb 0.13 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 1rpr h GLN 34 CO -0.03 0.00 -0.22 0.00 -0.67 0.00 0.00 178.83 177.91 1rpr h ALA 35 N 1.84 0.33 0.47 3.87 0.00 0.83 0.36 119.26 126.96 1rpr h ALA 35 Ca 0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1rpr h ALA 35 Cb 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1rpr h ALA 35 CO -0.00 0.28 -0.22 0.22 0.00 0.00 0.00 179.25 179.53 1rpr h ASP 36 N 0.24 -0.53 -0.73 0.00 3.58 0.44 -0.05 116.42 119.37 1rpr h ASP 36 Ca 0.04 0.01 0.15 0.00 0.42 0.00 0.00 57.03 57.65 1rpr h ASP 36 Cb 0.77 0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.91 1rpr h ASP 36 CO 0.06 -0.37 0.49 0.40 -2.88 0.00 0.00 179.24 176.94 1rpr h ILE 37 N -0.64 0.78 -0.34 2.25 1.08 -1.41 0.13 117.51 119.36 1rpr h ILE 37 Ca -0.06 -0.12 -0.14 0.00 -0.39 0.00 0.00 64.86 64.14 1rpr h ILE 37 Cb 0.49 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 1rpr h ILE 37 CO 0.11 0.06 -0.37 0.00 -0.69 0.00 0.00 178.15 177.26 1rpr h GLU 39 N 0.65 0.52 -0.19 0.00 4.39 0.98 0.51 114.58 121.44 1rpr h GLU 39 Ca 0.06 -0.25 -0.05 0.00 0.34 0.00 0.00 59.36 59.45 1rpr h GLU 39 Cb 0.92 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 1rpr h GLU 39 CO 0.08 0.82 -0.13 0.77 -1.16 0.00 0.00 179.01 179.40 1rpr h SER 40 N 0.43 0.29 0.43 1.42 0.02 -0.78 0.22 113.55 115.59 1rpr h SER 40 Ca 0.04 -0.06 -0.17 0.00 -0.84 0.00 0.00 61.79 60.76 1rpr h SER 40 Cb 0.86 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 1rpr h SER 40 CO 0.07 0.45 -0.71 0.25 -1.14 0.00 0.00 176.83 175.76 1rpr h LEU 41 N 0.29 0.28 -0.04 5.07 5.85 0.28 -1.36 115.31 125.69 1rpr h LEU 41 Ca 0.06 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1rpr h LEU 41 Cb 0.40 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1rpr h LEU 41 CO 0.02 0.89 0.02 -0.74 -0.34 0.00 0.00 178.44 178.30 1rpr h HIS 42 N 0.16 0.05 0.09 1.25 2.76 0.16 0.64 115.15 120.25 1rpr h HIS 42 Ca -0.02 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1rpr h HIS 42 Cb 1.26 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.20 1rpr h HIS 42 CO 0.03 0.07 -0.05 0.22 -1.30 0.00 0.00 177.93 176.90 1rpr h ASP 43 N 0.01 -0.11 0.23 3.26 3.58 -0.90 -1.11 116.42 121.39 1rpr h ASP 43 Ca 0.01 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 1rpr h ASP 43 Cb 0.03 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 1rpr h ASP 43 CO -0.00 0.01 -0.04 0.45 -2.88 0.00 0.00 179.24 176.78 1rpr h HIS 44 N -0.22 0.00 -0.10 0.28 3.86 -0.98 0.66 115.15 118.65 1rpr h HIS 44 Ca -0.01 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.06 1rpr h HIS 44 Cb 0.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1rpr h HIS 44 CO -0.04 0.04 -0.55 0.00 0.86 0.00 0.00 177.93 178.23 1rpr h ALA 45 N 1.96 0.86 0.00 2.45 0.00 0.13 -1.61 119.26 123.06 1rpr h ALA 45 Ca -0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 54.91 54.20 1rpr h ALA 45 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1rpr h ALA 45 CO 0.00 0.69 -0.88 0.22 0.00 0.00 0.00 179.25 179.29 1rpr h ASP 46 N 0.24 0.29 -0.94 0.00 3.58 0.12 -1.70 116.42 118.02 1rpr h ASP 46 Ca 0.00 -0.23 0.12 0.00 0.42 0.00 0.00 57.03 57.34 1rpr h ASP 46 Cb 1.05 -0.09 -0.07 0.00 1.72 0.00 0.00 39.33 41.94 1rpr h ASP 46 CO 0.09 1.03 0.60 -0.33 -2.88 0.00 0.00 179.24 177.75 1rpr h GLU 47 N 0.13 0.84 -0.08 0.28 4.39 0.76 0.49 114.58 121.40 1rpr h GLU 47 Ca -0.05 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1rpr h GLU 47 Cb 1.50 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1rpr h GLU 47 CO 0.14 0.56 -0.03 1.25 -1.16 0.00 0.00 179.01 179.76 1rpr h LEU 48 N 0.87 0.17 0.70 1.33 5.85 -1.12 -2.71 115.31 120.40 1rpr h LEU 48 Ca 0.46 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1rpr h LEU 48 Cb 0.54 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1rpr h LEU 48 CO -0.22 0.53 -0.43 0.22 -0.34 0.00 0.00 178.44 178.20 1rpr h TYR 49 N -0.19 -1.14 -1.00 1.25 3.20 0.30 0.24 116.97 119.62 1rpr h TYR 49 Ca 0.02 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.07 1rpr h TYR 49 Cb 0.46 0.41 -0.11 0.00 1.54 0.00 0.00 36.73 39.03 1rpr h TYR 49 CO 0.06 -0.64 0.61 0.07 -1.64 0.00 0.00 178.16 176.62 1rpr h ARG 50 N -1.06 0.75 -0.07 1.82 0.11 -0.30 0.74 114.38 116.37 1rpr h ARG 50 Ca -0.09 -0.05 -0.12 0.00 0.10 0.00 0.00 59.98 59.82 1rpr h ARG 50 Cb 0.85 -0.17 -0.01 0.00 1.11 0.00 0.00 29.97 31.74 1rpr h ARG 50 CO 0.10 0.50 -0.48 0.77 0.10 0.00 0.00 179.97 180.95 1rpr h SER 51 N 0.77 0.19 0.75 0.08 0.02 -1.16 0.24 113.55 114.46 1rpr h SER 51 Ca 0.58 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.41 1rpr h SER 51 Cb 0.89 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.37 1rpr h SER 51 CO -0.38 0.65 -0.12 0.00 -1.14 0.00 0.00 176.83 175.84 1rpr h LEU 53 N 0.00 0.00 -0.79 0.00 5.85 0.11 0.36 115.31 120.84 1rpr h LEU 53 Ca -0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1rpr h LEU 53 Cb 0.53 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1rpr h LEU 53 CO 0.02 0.36 0.00 0.00 -0.34 0.00 0.00 178.44 178.47 1rpr h ALA 54 N 1.64 0.99 0.00 1.25 0.00 0.18 0.19 119.26 123.51 1rpr h ALA 54 Ca -0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1rpr h ALA 54 Cb 1.32 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1rpr h ALA 54 CO 0.04 0.62 -0.54 -0.09 0.00 0.00 0.00 179.25 179.27 1rpr h ARG 55 N 0.85 0.00 -1.00 0.00 2.43 -1.34 -3.37 114.38 111.94 1rpr h ARG 55 Ca 0.16 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 1rpr h ARG 55 Cb 0.50 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 1rpr h ARG 55 CO 0.02 0.08 0.08 1.19 -1.51 0.00 0.00 179.97 179.84 1rpr n PHE 56 N -4.61 0.41 0.79 2.20 3.72 0.13 -4.40 117.46 115.71 1rpr n PHE 56 Ca -0.09 -0.64 0.00 0.00 -0.05 0.00 0.00 57.45 56.67 1rpr n PHE 56 Cb 0.29 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 1rpr n PHE 56 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rpr n GLY 57 N 0.26 1.43 0.99 1.37 0.00 0.66 -3.79 105.19 106.10 1rpr n GLY 57 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.11 1rpr n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rpr n ASP 58 N 0.40 2.57 -4.56 1.61 5.75 -1.26 -4.79 116.55 116.27 1rpr n ASP 58 Ca 0.00 -2.31 -0.20 0.00 -0.01 0.00 0.00 54.79 52.27 1rpr n ASP 58 Cb 0.32 -0.56 -0.06 0.00 -1.03 0.00 0.00 41.12 39.78 1rpr n ASP 58 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1rpr s ASP 59 N -0.18 4.32 0.00 -1.12 1.11 -1.25 -3.21 116.67 116.34 1rpr s ASP 59 Ca 0.17 -0.06 0.00 0.00 0.18 0.00 0.00 52.55 52.84 1rpr s ASP 59 Cb 0.13 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.57 1rpr s ASP 59 CO 0.05 -3.44 0.00 0.61 1.18 0.00 0.00 175.17 173.56 1rpr n GLY 60 N 6.73 0.00 0.24 0.21 0.00 -1.26 -4.91 105.19 106.20 1rpr n GLY 60 Ca 0.43 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.55 1rpr n GLY 60 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1rpr h GLU 61 N 0.00 0.00 -5.95 1.61 5.08 -1.89 -3.37 114.58 110.06 1rpr h GLU 61 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 1rpr h GLU 61 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 1rpr h GLU 61 CO 0.00 0.17 0.51 1.21 -1.00 0.00 0.00 179.01 179.91 1rpr s ASN 62 N -6.38 6.97 0.00 1.42 3.04 -1.26 -5.07 114.94 113.66 1rpr s ASN 62 Ca -0.03 1.20 0.00 0.00 0.04 0.00 0.00 52.86 54.07 1rpr s ASN 62 Cb 0.13 -2.47 0.00 0.00 -1.54 0.00 0.00 41.25 37.37 1rpr s ASN 62 CO 0.62 -0.50 0.27 0.18 -3.04 0.00 0.00 177.10 174.64