#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 0.25 2.03 -1.04 -1.26 -4.98 114.28 109.28 1rpr n THR 2 Ca 0.00 -1.19 0.12 0.00 -2.04 0.00 0.00 64.05 60.93 1rpr n THR 2 Cb 0.00 0.88 0.64 0.00 -1.82 0.00 0.00 70.33 70.03 1rpr n THR 2 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 1rpr h LYS 3 N 0.00 0.00 0.00 -2.82 2.10 -1.99 -1.05 116.57 112.80 1rpr h LYS 3 Ca -0.25 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.34 1rpr h LYS 3 Cb 1.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.33 1rpr h LYS 3 CO 0.33 0.16 -0.26 1.96 -2.00 0.00 0.00 179.45 179.64 1rpr h GLN 4 N 0.00 0.00 -0.20 0.07 7.50 -1.98 0.15 115.11 120.65 1rpr h GLN 4 Ca -0.00 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.08 1rpr h GLN 4 Cb 0.46 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.99 1rpr h GLN 4 CO 0.02 0.26 -0.13 0.93 -1.50 0.00 0.00 178.83 178.41 1rpr h GLU 5 N 0.00 0.44 -0.28 1.46 3.07 -1.59 0.19 114.58 117.87 1rpr h GLU 5 Ca -0.00 -0.21 -0.00 0.00 -0.50 0.00 0.00 59.36 58.64 1rpr h GLU 5 Cb 0.57 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1rpr h GLU 5 CO 0.03 0.76 0.16 0.87 -1.40 0.00 0.00 179.01 179.43 1rpr h LYS 6 N 0.12 0.38 -0.33 2.33 1.79 -0.91 0.12 116.57 120.07 1rpr h LYS 6 Ca 0.04 -0.03 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 1rpr h LYS 6 Cb 0.64 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1rpr h LYS 6 CO 0.04 0.28 -0.38 1.15 -1.08 0.00 0.00 179.45 179.46 1rpr h THR 7 N 0.39 1.28 0.00 -0.16 2.02 0.23 -2.24 112.91 114.44 1rpr h THR 7 Ca 0.10 -1.54 -0.05 0.00 0.77 0.00 0.00 66.41 65.69 1rpr h THR 7 Cb 0.01 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1rpr h THR 7 CO -0.02 0.50 -0.23 0.00 0.37 0.00 0.00 175.52 176.15 1rpr h ALA 8 N 0.94 1.33 -0.63 6.16 0.00 0.17 0.27 119.26 127.50 1rpr h ALA 8 Ca 0.06 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1rpr h ALA 8 Cb 0.93 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1rpr h ALA 8 CO 0.08 0.28 0.21 1.25 0.00 0.00 0.00 179.25 181.07 1rpr h LEU 9 N 0.00 0.91 -0.55 0.00 5.85 -0.31 -0.23 115.31 120.98 1rpr h LEU 9 Ca -0.00 -0.20 -0.16 0.00 0.84 0.00 0.00 57.88 58.36 1rpr h LEU 9 Cb 0.50 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1rpr h LEU 9 CO 0.03 0.87 -0.54 0.78 -0.34 0.00 0.00 178.44 179.24 1rpr h ASN 10 N 0.91 0.58 0.66 1.25 2.35 -0.81 -2.21 115.58 118.31 1rpr h ASN 10 Ca 0.21 -0.31 -0.13 0.00 -0.55 0.00 0.00 56.30 55.52 1rpr h ASN 10 Cb 0.28 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1rpr h ASN 10 CO -0.01 1.01 -0.61 0.00 -1.65 0.00 0.00 177.43 176.17 1rpr h MET 11 N 0.41 0.00 -0.59 0.81 -0.00 -0.65 0.08 114.93 114.99 1rpr h MET 11 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.68 1rpr h MET 11 Cb 1.07 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.65 1rpr h MET 11 CO 0.10 0.61 0.25 0.00 -0.00 0.00 0.00 176.91 177.87 1rpr h ALA 12 N 1.39 0.76 -0.04 -3.00 0.00 -0.84 0.91 119.26 118.44 1rpr h ALA 12 Ca -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1rpr h ALA 12 Cb 1.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1rpr h ALA 12 CO 0.08 0.35 -0.13 -0.09 0.00 0.00 0.00 179.25 179.46 1rpr h ARG 13 N 0.80 0.06 -0.19 0.00 2.43 -0.77 -1.35 114.38 115.36 1rpr h ARG 13 Ca 0.20 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1rpr h ARG 13 Cb 0.17 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1rpr h ARG 13 CO -0.02 0.19 0.11 0.35 -1.51 0.00 0.00 179.97 179.09 1rpr h PHE 14 N 0.06 0.26 -0.72 2.20 3.57 0.11 -0.40 116.94 122.02 1rpr h PHE 14 Ca 0.01 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1rpr h PHE 14 Cb 0.27 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 1rpr h PHE 14 CO 0.00 0.23 0.48 0.82 -2.23 0.00 0.00 178.31 177.61 1rpr h ILE 15 N 0.21 1.11 0.22 1.41 2.04 -0.30 0.22 117.51 122.41 1rpr h ILE 15 Ca 0.07 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1rpr h ILE 15 Cb 0.05 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1rpr h ILE 15 CO -0.01 0.16 -0.11 0.03 0.00 0.00 0.00 178.15 178.22 1rpr h ARG 16 N 0.88 -0.28 -0.38 2.37 3.08 -0.21 0.02 114.38 119.86 1rpr h ARG 16 Ca 0.29 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.34 1rpr h ARG 16 Cb 0.06 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1rpr h ARG 16 CO -0.08 -0.12 0.16 0.77 -1.07 0.00 0.00 179.97 179.63 1rpr h SER 17 N -0.39 0.47 0.33 7.04 0.02 -0.37 0.38 113.55 121.03 1rpr h SER 17 Ca -0.03 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1rpr h SER 17 Cb 0.30 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1rpr h SER 17 CO 0.05 0.42 -0.16 -0.61 -1.14 0.00 0.00 176.83 175.39 1rpr h GLN 18 N 0.53 -0.43 0.00 3.45 4.15 -0.28 -1.37 115.11 121.16 1rpr h GLN 18 Ca 0.13 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 1rpr h GLN 18 Cb 0.09 0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.87 1rpr h GLN 18 CO -0.02 -0.16 -0.03 1.15 -1.93 0.00 0.00 178.83 177.85 1rpr h THR 19 N -0.67 0.67 0.34 2.39 2.02 -0.43 0.33 112.91 117.57 1rpr h THR 19 Ca -0.05 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1rpr h THR 19 Cb 0.47 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1rpr h THR 19 CO 0.07 0.02 -0.17 0.25 0.37 0.00 0.00 175.52 176.07 1rpr h LEU 20 N 0.00 -0.39 -1.73 2.58 5.85 0.43 0.17 115.31 122.22 1rpr h LEU 20 Ca -0.00 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1rpr h LEU 20 Cb 0.06 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1rpr h LEU 20 CO 0.00 -0.01 0.00 0.74 -0.34 0.00 0.00 178.44 178.83 1rpr h THR 21 N -0.83 0.00 0.04 1.05 2.02 -0.63 -0.57 112.91 113.99 1rpr h THR 21 Ca -0.05 -0.34 -0.24 0.00 0.77 0.00 0.00 66.41 66.56 1rpr h THR 21 Cb 0.53 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1rpr h THR 21 CO 0.08 0.00 -1.03 0.25 0.37 0.00 0.00 175.52 175.19 1rpr h LEU 22 N 0.00 0.49 0.31 2.58 5.85 0.08 -1.11 115.31 123.51 1rpr h LEU 22 Ca 0.00 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 1rpr h LEU 22 Cb 0.35 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1rpr h LEU 22 CO 0.00 1.25 -0.20 0.25 -0.34 0.00 0.00 178.44 179.40 1rpr h LEU 23 N 0.18 -0.49 -0.01 2.25 5.85 0.91 0.15 115.31 124.15 1rpr h LEU 23 Ca -0.09 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1rpr h LEU 23 Cb 1.69 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.85 1rpr h LEU 23 CO 0.17 -0.31 -0.14 -0.08 -0.34 0.00 0.00 178.44 177.74 1rpr h GLU 24 N -0.49 -0.17 -0.66 1.25 4.81 -1.35 -1.25 114.58 116.73 1rpr h GLU 24 Ca -0.03 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.40 1rpr h GLU 24 Cb 0.41 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1rpr h GLU 24 CO 0.03 -0.11 0.49 0.87 -0.73 0.00 0.00 179.01 179.55 1rpr h LYS 25 N -0.17 0.00 -0.19 1.92 1.79 -1.09 0.32 116.57 119.15 1rpr h LYS 25 Ca 0.00 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.33 1rpr h LYS 25 Cb 0.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1rpr h LYS 25 CO -0.10 0.00 -0.51 -0.07 -1.08 0.00 0.00 179.45 177.69 1rpr h LEU 26 N 0.00 0.56 -0.97 2.94 4.07 0.29 0.23 115.31 122.43 1rpr h LEU 26 Ca 0.31 -0.29 -0.06 0.00 0.08 0.00 0.00 57.88 57.92 1rpr h LEU 26 Cb 1.28 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.84 1rpr h LEU 26 CO -0.00 0.97 0.04 0.78 -1.08 0.00 0.00 178.44 179.15 1rpr h ASN 27 N 0.41 0.75 0.35 -0.43 -0.26 0.69 0.81 115.58 117.89 1rpr h ASN 27 Ca 0.02 -0.16 -0.14 0.00 -0.56 0.00 0.00 56.30 55.45 1rpr h ASN 27 Cb 1.03 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 38.08 1rpr h ASN 27 CO 0.09 0.79 -0.58 -0.33 -1.06 0.00 0.00 177.43 176.34 1rpr h GLU 28 N 0.74 0.24 -0.82 0.81 5.08 -0.62 -2.77 114.58 117.24 1rpr h GLU 28 Ca 0.15 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1rpr h GLU 28 Cb 0.40 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1rpr h GLU 28 CO 0.01 0.75 0.02 1.28 -1.00 0.00 0.00 179.01 180.07 1rpr n LEU 29 N -3.89 3.33 -3.22 1.33 4.32 0.73 -4.89 117.00 114.71 1rpr n LEU 29 Ca -0.02 -1.69 -0.09 0.00 -0.02 0.00 0.00 56.01 54.18 1rpr n LEU 29 Cb 0.60 -0.59 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 1rpr n LEU 29 CO 0.44 0.45 0.13 -0.67 -1.22 0.00 0.00 177.39 176.52 1rpr n ASP 30 N 0.26 -7.04 -3.68 -1.43 2.03 -0.81 -5.00 116.55 100.87 1rpr n ASP 30 Ca 0.14 -0.17 -0.18 0.00 0.52 0.00 0.00 54.79 55.10 1rpr n ASP 30 Cb 0.72 -4.30 -0.17 0.00 -0.72 0.00 0.00 41.12 36.66 1rpr n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rpr s ALA 31 N -2.83 0.01 -0.02 -1.67 0.00 0.19 -5.00 121.76 112.45 1rpr s ALA 31 Ca 0.07 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.40 1rpr s ALA 31 Cb -0.01 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 1rpr s ALA 31 CO 0.79 -0.47 -0.04 -0.25 0.00 0.00 0.00 175.76 175.79 1rpr n ASP 32 N 5.15 0.26 -0.32 0.00 8.00 -1.26 -3.96 116.55 124.42 1rpr n ASP 32 Ca -0.07 0.04 0.19 0.00 0.71 0.00 0.00 54.79 55.66 1rpr n ASP 32 Cb 0.50 -0.41 0.40 0.00 -0.02 0.00 0.00 41.12 41.59 1rpr n ASP 32 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1rpr h GLU 33 N -0.11 0.24 -0.42 -1.24 9.09 -1.99 0.78 114.58 120.94 1rpr h GLU 33 Ca 0.00 -0.01 -0.15 0.00 0.05 0.00 0.00 59.36 59.25 1rpr h GLU 33 Cb 0.11 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.15 1rpr h GLU 33 CO 0.00 0.16 -0.31 1.96 0.05 0.00 0.00 179.01 180.87 1rpr h GLN 34 N 0.25 0.95 -0.81 1.06 4.20 -1.99 -2.32 115.11 116.44 1rpr h GLN 34 Ca 0.66 -0.46 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 1rpr h GLN 34 Cb 1.45 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.19 1rpr h GLN 34 CO -0.65 1.12 0.48 0.00 -0.67 0.00 0.00 178.83 179.12 1rpr h ALA 35 N 0.80 1.04 0.60 3.87 0.00 0.35 0.48 119.26 126.40 1rpr h ALA 35 Ca 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1rpr h ALA 35 Cb 0.90 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1rpr h ALA 35 CO 0.08 0.51 -0.33 -0.44 0.00 0.00 0.00 179.25 179.07 1rpr h ASP 36 N 1.12 -0.82 -0.09 0.00 3.32 -0.75 -0.13 116.42 119.07 1rpr h ASP 36 Ca 0.29 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.41 1rpr h ASP 36 Cb -0.03 0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1rpr h ASP 36 CO -0.05 -0.53 0.08 0.40 -1.72 0.00 0.00 179.24 177.42 1rpr h ILE 37 N -0.86 0.69 -0.49 0.35 5.03 -1.31 0.64 117.51 121.57 1rpr h ILE 37 Ca -0.08 0.00 -0.06 0.00 -0.12 0.00 0.00 64.86 64.60 1rpr h ILE 37 Cb 0.68 0.94 -0.02 0.00 -3.03 0.00 0.00 36.82 35.39 1rpr h ILE 37 CO 0.10 0.00 0.09 0.00 -0.68 0.00 0.00 178.15 177.66 1rpr h GLU 39 N 0.68 0.69 -0.07 0.00 4.57 0.90 0.19 114.58 121.54 1rpr h GLU 39 Ca 0.15 -0.23 -0.05 0.00 -1.18 0.00 0.00 59.36 58.05 1rpr h GLU 39 Cb 0.38 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1rpr h GLU 39 CO 0.01 0.80 -0.18 0.77 -1.18 0.00 0.00 179.01 179.23 1rpr h SER 40 N 0.62 0.10 0.20 1.04 0.02 0.03 0.13 113.55 115.69 1rpr h SER 40 Ca 0.10 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.87 1rpr h SER 40 Cb 0.60 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1rpr h SER 40 CO 0.04 0.29 -0.63 0.25 -1.14 0.00 0.00 176.83 175.64 1rpr h LEU 41 N 0.10 0.48 0.35 5.07 7.12 0.13 -0.42 115.31 128.14 1rpr h LEU 41 Ca 0.02 -0.28 -0.02 0.00 0.13 0.00 0.00 57.88 57.73 1rpr h LEU 41 Cb 0.38 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.37 1rpr h LEU 41 CO 0.03 0.99 -0.17 -0.74 -0.13 0.00 0.00 178.44 178.42 1rpr h HIS 42 N 0.30 -0.43 -0.37 1.25 2.76 0.18 0.41 115.15 119.25 1rpr h HIS 42 Ca -0.01 -0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.01 1rpr h HIS 42 Cb 1.18 0.14 -0.01 0.00 1.55 0.00 0.00 27.41 30.27 1rpr h HIS 42 CO 0.04 -0.21 -0.31 0.22 -1.30 0.00 0.00 177.93 176.37 1rpr h ASP 43 N -0.56 0.85 0.34 3.26 3.58 -1.01 0.24 116.42 123.11 1rpr h ASP 43 Ca -0.05 -0.35 -0.05 0.00 0.42 0.00 0.00 57.03 57.00 1rpr h ASP 43 Cb 0.42 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 1rpr h ASP 43 CO 0.08 1.09 -0.25 0.45 -2.88 0.00 0.00 179.24 177.73 1rpr h HIS 44 N 0.69 0.00 0.00 0.28 3.86 -0.95 0.54 115.15 119.57 1rpr h HIS 44 Ca 0.08 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.19 1rpr h HIS 44 Cb 0.86 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.31 1rpr h HIS 44 CO 0.05 0.25 -0.44 0.00 0.86 0.00 0.00 177.93 178.64 1rpr h ALA 45 N 1.75 0.87 0.00 2.45 0.00 0.69 -0.90 119.26 124.12 1rpr h ALA 45 Ca -0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1rpr h ALA 45 Cb 0.49 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1rpr h ALA 45 CO 0.03 0.56 -0.55 0.22 0.00 0.00 0.00 179.25 179.51 1rpr h ASP 46 N 0.00 0.00 -0.64 0.00 1.82 0.32 0.37 116.42 118.29 1rpr h ASP 46 Ca -0.00 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.55 1rpr h ASP 46 Cb 1.08 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.06 1rpr h ASP 46 CO 0.06 0.55 0.09 -0.33 -1.61 0.00 0.00 179.24 178.00 1rpr h GLU 47 N 0.00 1.08 -0.50 0.28 5.08 0.94 0.58 114.58 122.04 1rpr h GLU 47 Ca -0.01 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1rpr h GLU 47 Cb 0.99 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1rpr h GLU 47 CO 0.07 1.00 0.00 -0.11 -1.00 0.00 0.00 179.01 178.97 1rpr n LEU 48 N -4.21 0.50 0.00 1.33 7.94 0.03 0.74 117.00 123.33 1rpr n LEU 48 Ca 0.04 -0.25 0.00 0.00 -1.11 0.00 0.00 56.01 54.69 1rpr n LEU 48 Cb 0.30 -0.25 0.00 0.00 0.53 0.00 0.00 43.42 44.00 1rpr n LEU 48 CO 0.43 0.13 -0.28 0.00 -1.11 0.00 0.00 177.39 176.56 1rpr n TYR 49 N -0.11 0.00 -0.05 1.96 9.36 0.63 -4.42 117.16 124.54 1rpr n TYR 49 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 1rpr n TYR 49 Cb 0.13 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.82 1rpr n TYR 49 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1rpr n ARG 50 N -1.06 0.31 0.19 2.98 1.74 0.17 -3.38 116.66 117.61 1rpr n ARG 50 Ca 0.00 0.12 0.08 0.00 -0.77 0.00 0.00 57.85 57.28 1rpr n ARG 50 Cb 0.12 -1.01 0.59 0.00 -1.02 0.00 0.00 32.46 31.14 1rpr n ARG 50 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1rpr h SER 51 N -0.58 0.11 0.45 0.55 0.02 0.15 0.43 113.55 114.67 1rpr h SER 51 Ca 0.00 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1rpr h SER 51 Cb 0.58 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1rpr h SER 51 CO 0.00 0.08 -0.61 0.00 -1.14 0.00 0.00 176.83 175.16 1rpr h LEU 53 N 0.12 0.00 -0.58 0.00 5.85 -0.20 0.23 115.31 120.72 1rpr h LEU 53 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1rpr h LEU 53 Cb 1.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1rpr h LEU 53 CO 0.09 0.16 0.00 0.00 -0.34 0.00 0.00 178.44 178.35 1rpr n ALA 54 N -2.32 1.03 -0.04 1.25 0.00 -0.61 0.36 120.51 120.17 1rpr n ALA 54 Ca -0.02 0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.42 1rpr n ALA 54 Cb 0.27 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 1rpr n ALA 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1rpr n ARG 55 N -1.81 0.18 0.00 0.00 3.00 0.19 -4.56 116.66 113.66 1rpr n ARG 55 Ca -0.01 0.07 0.02 0.00 -0.00 0.00 0.00 57.85 57.94 1rpr n ARG 55 Cb 0.02 -0.89 0.13 0.00 0.00 0.00 0.00 32.46 31.72 1rpr n ARG 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1rpr n PHE 56 N -3.21 0.00 -1.21 -0.14 3.72 0.58 -3.16 117.46 114.03 1rpr n PHE 56 Ca -0.16 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.01 1rpr n PHE 56 Cb 0.63 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.17 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 0.17 4.47 1.53 1.37 0.00 0.16 -4.57 105.19 108.32 1rpr n GLY 57 Ca 0.03 -1.60 -0.08 0.00 0.00 0.00 0.00 46.02 44.37 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 0.36 4.55 -4.86 1.61 5.75 -1.19 -4.91 116.55 117.86 1rpr n ASP 58 Ca 0.42 -2.62 -0.31 0.00 -0.01 0.00 0.00 54.79 52.28 1rpr n ASP 58 Cb 0.56 -0.83 0.04 0.00 -1.03 0.00 0.00 41.12 39.86 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 0.63 5.57 0.00 -1.12 1.01 -1.26 -4.75 116.67 116.74 1rpr s ASP 59 Ca 0.17 1.34 0.00 0.00 0.71 0.00 0.00 52.55 54.77 1rpr s ASP 59 Cb 0.14 -2.23 0.00 0.00 1.01 0.00 0.00 42.92 41.84 1rpr s ASP 59 CO 0.01 -1.29 0.00 0.61 0.21 0.00 0.00 175.17 174.72 1rpr n GLY 60 N -2.60 -0.90 0.03 0.21 0.00 -1.26 -5.04 105.19 95.63 1rpr n GLY 60 Ca 0.07 -1.05 -0.04 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 -0.19 2.02 0.05 1.61 -0.00 -1.26 -4.95 120.64 117.93 1rpr n GLU 61 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.16 57.17 1rpr n GLU 61 Cb 0.00 -1.15 0.00 0.00 -0.00 0.00 0.00 31.44 30.29 1rpr n GLU 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1rpr n ASN 62 N -2.39 -0.66 0.00 -1.84 3.02 -1.26 -5.37 115.26 106.76 1rpr n ASN 62 Ca -0.11 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1rpr n ASN 62 Cb 0.67 0.85 0.00 0.00 -0.61 0.00 0.00 39.78 40.69 1rpr n ASN 62 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82