#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 1.61 -0.14 2.03 -1.04 -1.26 -4.64 114.28 110.84 1rpr n THR 2 Ca 0.00 -0.34 0.05 0.00 -2.04 0.00 0.00 64.05 61.72 1rpr n THR 2 Cb 0.00 -0.80 0.35 0.00 -1.82 0.00 0.00 70.33 68.06 1rpr n THR 2 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1rpr h LYS 3 N -0.62 0.74 -0.01 -2.82 1.57 -1.95 0.33 116.57 113.81 1rpr h LYS 3 Ca -0.45 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1rpr h LYS 3 Cb 1.33 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 1rpr h LYS 3 CO 0.42 0.49 0.01 1.96 -0.57 0.00 0.00 179.45 181.75 1rpr h GLN 4 N 0.76 0.01 -0.92 3.15 7.50 -1.94 -1.62 115.11 122.05 1rpr h GLN 4 Ca 0.26 -0.00 0.07 0.00 0.50 0.00 0.00 58.65 59.48 1rpr h GLN 4 Cb 0.09 -0.00 -0.07 0.00 0.05 0.00 0.00 27.48 27.55 1rpr h GLN 4 CO -0.07 0.07 0.58 0.93 -1.50 0.00 0.00 178.83 178.84 1rpr h GLU 5 N -0.05 1.00 -0.71 1.46 5.08 -1.33 0.11 114.58 120.15 1rpr h GLU 5 Ca 0.00 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1rpr h GLU 5 Cb 0.06 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 1rpr h GLU 5 CO -0.00 0.66 0.43 -0.22 -1.00 0.00 0.00 179.01 178.88 1rpr h LYS 6 N 1.03 0.79 -0.52 2.33 3.64 -0.53 0.33 116.57 123.64 1rpr h LYS 6 Ca 0.41 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.64 1rpr h LYS 6 Cb 0.22 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1rpr h LYS 6 CO -0.19 0.52 -0.06 1.15 -2.27 0.00 0.00 179.45 178.61 1rpr h THR 7 N 0.81 1.27 -0.13 1.00 2.02 -0.02 -0.16 112.91 117.71 1rpr h THR 7 Ca 0.30 -1.18 -0.06 0.00 0.77 0.00 0.00 66.41 66.24 1rpr h THR 7 Cb 0.09 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1rpr h THR 7 CO -0.14 0.42 -0.17 0.00 0.37 0.00 0.00 175.52 176.00 1rpr h ALA 8 N 0.93 1.47 -0.61 6.16 0.00 0.19 0.21 119.26 127.60 1rpr h ALA 8 Ca 0.14 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1rpr h ALA 8 Cb 0.61 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1rpr h ALA 8 CO 0.04 0.38 0.01 1.25 0.00 0.00 0.00 179.25 180.92 1rpr h LEU 9 N 0.20 1.05 -0.86 0.00 5.85 0.15 -0.48 115.31 121.23 1rpr h LEU 9 Ca 0.04 -0.30 -0.10 0.00 0.84 0.00 0.00 57.88 58.36 1rpr h LEU 9 Cb 0.43 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1rpr h LEU 9 CO 0.03 1.10 -0.26 0.78 -0.34 0.00 0.00 178.44 179.74 1rpr h ASN 10 N 0.98 0.55 -0.63 1.25 -0.26 0.87 -2.19 115.58 116.15 1rpr h ASN 10 Ca 0.18 -0.20 -0.07 0.00 -0.56 0.00 0.00 56.30 55.65 1rpr h ASN 10 Cb 0.55 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.63 1rpr h ASN 10 CO 0.03 0.80 0.14 0.24 -1.06 0.00 0.00 177.43 177.58 1rpr h MET 11 N 0.48 1.04 -0.37 0.81 2.86 0.36 0.31 114.93 120.43 1rpr h MET 11 Ca 0.07 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1rpr h MET 11 Cb 0.71 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1rpr h MET 11 CO 0.05 0.94 0.24 0.00 1.06 0.00 0.00 176.91 179.20 1rpr h ALA 12 N 1.16 0.47 0.00 6.32 0.00 -0.66 0.20 119.26 126.74 1rpr h ALA 12 Ca 0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1rpr h ALA 12 Cb 0.38 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1rpr h ALA 12 CO 0.00 -0.06 -0.15 -0.09 0.00 0.00 0.00 179.25 178.96 1rpr h ARG 13 N 0.50 0.00 -0.32 0.00 9.65 -0.80 -0.74 114.38 122.66 1rpr h ARG 13 Ca 0.13 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.86 1rpr h ARG 13 Cb -0.04 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 1rpr h ARG 13 CO -0.03 0.15 -0.41 0.35 2.80 0.00 0.00 179.97 182.83 1rpr h PHE 14 N 0.00 0.94 -0.74 2.20 3.57 0.25 -1.39 116.94 121.76 1rpr h PHE 14 Ca -0.00 -0.28 -0.02 0.00 3.53 0.00 0.00 57.97 61.20 1rpr h PHE 14 Cb 0.40 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 1rpr h PHE 14 CO 0.00 1.06 0.39 0.82 -2.23 0.00 0.00 178.31 178.34 1rpr h ILE 15 N 0.64 1.23 -0.19 1.41 1.08 0.47 0.42 117.51 122.56 1rpr h ILE 15 Ca 0.05 -0.61 0.04 0.00 -0.39 0.00 0.00 64.86 63.95 1rpr h ILE 15 Cb 0.97 0.27 -0.05 0.00 -3.07 0.00 0.00 36.82 34.94 1rpr h ILE 15 CO 0.09 0.26 -0.09 -0.09 -0.69 0.00 0.00 178.15 177.63 1rpr h ARG 16 N 1.04 -0.07 0.00 2.37 2.43 -0.91 0.06 114.38 119.30 1rpr h ARG 16 Ca 0.26 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.39 1rpr h ARG 16 Cb 0.07 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1rpr h ARG 16 CO -0.04 -0.05 -0.23 0.77 -1.51 0.00 0.00 179.97 178.91 1rpr h SER 17 N -0.07 0.00 -0.03 -3.80 0.02 -0.34 -1.16 113.55 108.18 1rpr h SER 17 Ca 0.11 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1rpr h SER 17 Cb 0.23 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 1rpr h SER 17 CO -0.24 0.23 -0.01 -0.61 -1.14 0.00 0.00 176.83 175.06 1rpr h GLN 18 N 0.00 0.06 -0.24 3.45 -0.00 0.10 -1.21 115.11 117.27 1rpr h GLN 18 Ca -0.00 -0.02 0.07 0.00 -0.00 0.00 0.00 58.65 58.69 1rpr h GLN 18 Cb 0.47 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.94 1rpr h GLN 18 CO 0.03 0.46 0.25 1.15 0.00 0.00 0.00 178.83 180.72 1rpr h THR 19 N -0.35 0.49 -0.03 2.39 2.02 -0.51 0.65 112.91 117.56 1rpr h THR 19 Ca 0.01 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 1rpr h THR 19 Cb 0.44 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1rpr h THR 19 CO 0.00 0.00 -0.20 0.25 0.37 0.00 0.00 175.52 175.94 1rpr h LEU 20 N 0.00 0.23 -1.16 2.58 5.85 -0.14 0.64 115.31 123.32 1rpr h LEU 20 Ca 0.11 -0.67 0.09 0.00 0.84 0.00 0.00 57.88 58.25 1rpr h LEU 20 Cb 0.61 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 1rpr h LEU 20 CO -0.00 0.87 0.59 0.74 -0.34 0.00 0.00 178.44 180.30 1rpr h THR 21 N -0.39 0.98 -0.11 1.05 2.02 0.14 0.25 112.91 116.85 1rpr h THR 21 Ca -0.02 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1rpr h THR 21 Cb 0.87 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1rpr h THR 21 CO 0.04 0.17 0.00 0.25 0.37 0.00 0.00 175.52 176.36 1rpr h LEU 22 N 0.94 0.19 -0.77 2.58 5.85 -0.83 -2.29 115.31 120.98 1rpr h LEU 22 Ca 0.42 -0.30 0.15 0.00 0.84 0.00 0.00 57.88 59.00 1rpr h LEU 22 Cb 0.38 -0.05 -0.15 0.00 0.37 0.00 0.00 40.66 41.21 1rpr h LEU 22 CO -0.18 0.44 -0.19 0.25 -0.34 0.00 0.00 178.44 178.42 1rpr h LEU 23 N -0.08 -0.70 0.38 2.25 5.85 0.11 0.45 115.31 123.57 1rpr h LEU 23 Ca 0.03 0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 1rpr h LEU 23 Cb 0.34 0.47 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 1rpr h LEU 23 CO 0.01 -0.25 -0.51 -0.08 -0.34 0.00 0.00 178.44 177.27 1rpr h GLU 24 N 0.00 -0.89 -0.16 1.25 4.81 -0.92 -0.69 114.58 117.99 1rpr h GLU 24 Ca 0.37 0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.70 1rpr h GLU 24 Cb 0.56 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1rpr h GLU 24 CO -0.79 -0.59 0.16 0.87 -0.73 0.00 0.00 179.01 177.93 1rpr h LYS 25 N -0.92 0.00 -0.05 1.92 1.79 -0.18 0.12 116.57 119.25 1rpr h LYS 25 Ca -0.04 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.25 1rpr h LYS 25 Cb 0.83 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 1rpr h LYS 25 CO -0.13 0.00 -0.74 -0.07 -1.08 0.00 0.00 179.45 177.43 1rpr h LEU 26 N 0.00 0.35 -0.36 2.94 3.38 0.12 -1.14 115.31 120.59 1rpr h LEU 26 Ca 0.07 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 1rpr h LEU 26 Cb 0.40 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1rpr h LEU 26 CO -0.00 0.97 -0.10 0.78 0.09 0.00 0.00 178.44 180.17 1rpr h ASN 27 N 0.19 0.72 -0.50 -0.43 -0.26 0.33 0.31 115.58 115.95 1rpr h ASN 27 Ca -0.03 -0.37 -0.01 0.00 -0.56 0.00 0.00 56.30 55.33 1rpr h ASN 27 Cb 1.31 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 38.35 1rpr h ASN 27 CO 0.12 0.93 0.29 -0.33 -1.06 0.00 0.00 177.43 177.37 1rpr h GLU 28 N 0.51 0.68 -0.99 0.81 5.08 -1.17 -2.85 114.58 116.65 1rpr h GLU 28 Ca 0.09 -0.07 -0.24 0.00 -1.00 0.00 0.00 59.36 58.14 1rpr h GLU 28 Cb 0.62 -0.14 -0.14 0.00 0.50 0.00 0.00 28.75 29.59 1rpr h GLU 28 CO 0.04 0.51 0.31 1.28 -1.00 0.00 0.00 179.01 180.15 1rpr n LEU 29 N -4.68 4.77 -3.50 1.33 4.77 -0.45 -4.88 117.00 114.36 1rpr n LEU 29 Ca 0.02 -2.49 -0.15 0.00 -0.03 0.00 0.00 56.01 53.35 1rpr n LEU 29 Cb 0.07 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 1rpr n LEU 29 CO 0.36 0.75 -0.02 -0.67 -1.33 0.00 0.00 177.39 176.48 1rpr n ASP 30 N -0.28 -6.01 -2.80 -1.43 2.03 -1.07 -4.90 116.55 102.08 1rpr n ASP 30 Ca 0.29 -0.60 -0.11 0.00 0.52 0.00 0.00 54.79 54.89 1rpr n ASP 30 Cb 1.06 -3.09 0.03 0.00 -0.72 0.00 0.00 41.12 38.40 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 -2.23 2.61 0.08 -1.67 0.00 0.11 -4.95 120.51 114.46 1rpr n ALA 31 Ca -0.19 -2.90 -0.13 0.00 0.00 0.00 0.00 53.44 50.22 1rpr n ALA 31 Cb 0.62 -0.96 -0.08 0.00 0.00 0.00 0.00 19.45 19.04 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 2.88 -0.11 -0.76 0.00 2.03 -1.90 0.69 116.42 119.25 1rpr h ASP 32 Ca -0.07 -0.08 0.13 0.00 -0.73 0.00 0.00 57.03 56.27 1rpr h ASP 32 Cb 1.14 0.03 -0.09 0.00 -0.83 0.00 0.00 39.33 39.58 1rpr h ASP 32 CO 0.41 0.01 0.35 -0.33 -1.03 0.00 0.00 179.24 178.66 1rpr h GLU 33 N -0.22 0.52 -0.32 4.15 5.08 -1.95 0.54 114.58 122.38 1rpr h GLU 33 Ca -0.01 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1rpr h GLU 33 Cb 0.18 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1rpr h GLU 33 CO 0.02 0.35 0.09 1.96 -1.00 0.00 0.00 179.01 180.43 1rpr h GLN 34 N 0.54 0.46 -0.09 2.33 7.50 -1.87 -1.95 115.11 122.03 1rpr h GLN 34 Ca 0.40 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.48 1rpr h GLN 34 Cb 0.55 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 27.99 1rpr h GLN 34 CO -0.35 0.41 0.01 0.00 -1.50 0.00 0.00 178.83 177.40 1rpr h ALA 35 N 1.66 0.11 -0.46 3.87 0.00 0.24 0.16 119.26 124.84 1rpr h ALA 35 Ca 0.11 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1rpr h ALA 35 Cb 0.15 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 1rpr h ALA 35 CO -0.01 -0.24 -0.04 -0.44 0.00 0.00 0.00 179.25 178.52 1rpr h ASP 36 N -0.10 -0.29 -0.30 0.00 5.19 -0.50 0.44 116.42 120.88 1rpr h ASP 36 Ca 0.03 0.12 -0.05 0.00 -0.62 0.00 0.00 57.03 56.51 1rpr h ASP 36 Cb 0.29 0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.01 1rpr h ASP 36 CO 0.00 -0.10 0.03 0.40 -3.12 0.00 0.00 179.24 176.45 1rpr h ILE 37 N 0.07 1.21 0.00 0.35 1.08 -1.27 -0.89 117.51 118.05 1rpr h ILE 37 Ca 0.23 -0.81 -0.04 0.00 -0.39 0.00 0.00 64.86 63.85 1rpr h ILE 37 Cb 0.35 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 1rpr h ILE 37 CO -0.42 0.28 -0.20 0.00 -0.69 0.00 0.00 178.15 177.12 1rpr h GLU 39 N 0.00 0.86 -0.42 0.00 4.39 0.84 0.41 114.58 120.66 1rpr h GLU 39 Ca -0.00 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 59.12 1rpr h GLU 39 Cb 0.41 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1rpr h GLU 39 CO 0.03 1.21 0.27 0.77 -1.16 0.00 0.00 179.01 180.12 1rpr h SER 40 N 0.64 0.48 0.24 1.42 0.02 -0.74 0.47 113.55 116.09 1rpr h SER 40 Ca -0.00 -0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 60.72 1rpr h SER 40 Cb 1.21 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1rpr h SER 40 CO 0.13 0.36 -0.85 0.25 -1.14 0.00 0.00 176.83 175.58 1rpr h LEU 41 N 0.57 0.57 -0.36 5.07 5.85 -0.53 -0.54 115.31 125.95 1rpr h LEU 41 Ca 0.15 -0.42 0.07 0.00 0.84 0.00 0.00 57.88 58.52 1rpr h LEU 41 Cb -0.06 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.74 1rpr h LEU 41 CO -0.03 1.19 -0.06 -0.74 -0.34 0.00 0.00 178.44 178.46 1rpr h HIS 42 N 0.29 -0.14 0.00 1.25 2.76 0.20 0.27 115.15 119.78 1rpr h HIS 42 Ca -0.06 0.03 -0.22 0.00 -2.20 0.00 0.00 60.37 57.92 1rpr h HIS 42 Cb 1.46 0.12 -0.04 0.00 1.55 0.00 0.00 27.41 30.50 1rpr h HIS 42 CO 0.06 -0.13 -1.36 0.22 -1.30 0.00 0.00 177.93 175.42 1rpr h ASP 43 N 0.03 0.00 0.95 3.26 3.58 -1.28 -3.21 116.42 119.75 1rpr h ASP 43 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1rpr h ASP 43 Cb 0.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1rpr h ASP 43 CO -0.34 0.81 0.00 -0.74 -2.88 0.00 0.00 179.24 176.09 1rpr h HIS 44 N 0.00 0.00 0.00 0.28 2.76 -0.70 0.18 115.15 117.67 1rpr h HIS 44 Ca -0.17 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 57.87 1rpr h HIS 44 Cb 1.77 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.71 1rpr h HIS 44 CO 0.00 0.00 -0.61 0.00 -1.30 0.00 0.00 177.93 176.02 1rpr h ALA 45 N 2.11 0.93 0.00 5.26 0.00 -0.48 -1.23 119.26 125.85 1rpr h ALA 45 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1rpr h ALA 45 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1rpr h ALA 45 CO 0.00 0.76 0.00 -3.47 0.00 0.00 0.00 179.25 176.54 1rpr n ASP 46 N -3.72 0.00 -0.23 0.00 2.03 0.59 -1.77 116.55 113.44 1rpr n ASP 46 Ca -0.01 0.06 -0.08 0.00 0.52 0.00 0.00 54.79 55.28 1rpr n ASP 46 Cb 0.63 -0.33 0.04 0.00 -0.72 0.00 0.00 41.12 40.74 1rpr n ASP 46 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1rpr h GLU 47 N 0.00 1.11 0.00 -0.67 4.57 -0.80 0.23 114.58 119.02 1rpr h GLU 47 Ca 0.00 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 1rpr h GLU 47 Cb 0.26 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1rpr h GLU 47 CO 0.00 1.03 0.00 1.28 -1.18 0.00 0.00 179.01 180.14 1rpr n LEU 48 N -4.20 0.00 -0.07 1.64 4.77 -0.73 -0.87 117.00 117.54 1rpr n LEU 48 Ca 0.04 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 1rpr n LEU 48 Cb 0.31 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1rpr n LEU 48 CO 0.43 0.00 -0.63 0.00 -1.33 0.00 0.00 177.39 175.87 1rpr n TYR 49 N -0.73 0.00 0.14 -1.77 4.19 0.64 -3.96 117.16 115.67 1rpr n TYR 49 Ca 0.07 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.14 1rpr n TYR 49 Cb 0.03 -0.44 -0.08 0.00 0.49 0.00 0.00 39.34 39.34 1rpr n TYR 49 CO 0.00 0.00 0.00 0.07 0.91 0.00 0.00 176.86 177.84 1rpr h ARG 50 N -0.79 -0.32 -0.94 2.98 0.11 -1.01 0.84 114.38 115.26 1rpr h ARG 50 Ca -0.07 0.02 0.01 0.00 0.10 0.00 0.00 59.98 60.04 1rpr h ARG 50 Cb 0.88 0.07 -0.05 0.00 1.11 0.00 0.00 29.97 31.98 1rpr h ARG 50 CO -0.04 -0.04 0.61 0.77 0.10 0.00 0.00 179.97 181.36 1rpr h SER 51 N -0.58 1.09 0.15 0.08 0.02 -1.23 -0.69 113.55 112.38 1rpr h SER 51 Ca -0.03 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.76 1rpr h SER 51 Cb 0.42 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1rpr h SER 51 CO 0.06 0.80 -0.43 0.00 -1.14 0.00 0.00 176.83 176.12 1rpr h LEU 53 N 0.28 0.00 0.71 0.00 5.85 0.59 0.19 115.31 122.93 1rpr h LEU 53 Ca 0.02 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1rpr h LEU 53 Cb 0.87 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.91 1rpr h LEU 53 CO 0.07 0.09 -0.34 0.00 -0.34 0.00 0.00 178.44 177.92 1rpr h ALA 54 N 1.91 -0.95 0.00 1.25 0.00 -0.02 0.36 119.26 121.81 1rpr h ALA 54 Ca -0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1rpr h ALA 54 Cb 0.20 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1rpr h ALA 54 CO 0.01 -0.94 -0.35 0.07 0.00 0.00 0.00 179.25 178.05 1rpr h ARG 55 N -1.13 0.00 0.00 0.00 -0.00 -1.30 0.15 114.38 112.10 1rpr h ARG 55 Ca -0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.80 1rpr h ARG 55 Cb 0.75 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.71 1rpr h ARG 55 CO 0.16 0.35 -0.40 0.74 -0.00 0.00 0.00 179.97 180.82 1rpr h PHE 56 N 0.00 0.00 0.40 4.08 0.04 -0.50 -1.25 116.94 119.72 1rpr h PHE 56 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1rpr h PHE 56 Cb 0.69 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.84 1rpr h PHE 56 CO 0.00 0.40 -0.19 0.78 -0.60 0.00 0.00 178.31 178.69 1rpr h GLY 57 N 1.52 -0.56 -4.17 -1.45 0.00 0.16 0.30 103.07 98.87 1rpr h GLY 57 Ca -0.00 0.21 -0.36 0.00 0.00 0.00 0.00 47.33 47.17 1rpr h GLY 57 CO 0.05 -0.20 0.14 1.22 0.00 0.00 0.00 176.54 177.74 1rpr n ASP 58 N -5.21 6.04 -4.74 0.19 8.00 -0.39 -4.63 116.55 115.80 1rpr n ASP 58 Ca -0.10 -2.93 -0.26 0.00 0.71 0.00 0.00 54.79 52.20 1rpr n ASP 58 Cb 0.28 -1.26 -0.06 0.00 -0.02 0.00 0.00 41.12 40.06 1rpr n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1rpr s ASP 59 N 0.91 5.22 -0.56 -2.24 2.15 -0.54 -4.92 116.67 116.70 1rpr s ASP 59 Ca 0.55 -0.24 -0.01 0.00 0.43 0.00 0.00 52.55 53.28 1rpr s ASP 59 Cb 0.33 -1.27 0.39 0.00 -0.30 0.00 0.00 42.92 42.07 1rpr s ASP 59 CO -0.12 0.08 2.02 0.61 -0.17 0.00 0.00 175.17 177.59 1rpr n GLY 60 N -0.25 5.30 4.08 2.66 0.00 -1.26 -4.31 105.19 111.41 1rpr n GLY 60 Ca -0.09 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.58 -3.03 0.20 1.61 -0.58 -1.26 -4.66 120.64 112.34 1rpr n GLU 61 Ca 0.53 0.36 0.00 0.00 -0.42 0.00 0.00 57.16 57.64 1rpr n GLU 61 Cb 0.68 -4.63 0.00 0.00 -0.57 0.00 0.00 31.44 26.93 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 -2.87 -2.92 0.00 1.62 4.05 -1.26 -4.67 115.26 109.21 1rpr n ASN 62 Ca -0.18 0.76 0.00 0.00 0.45 0.00 0.00 54.58 55.60 1rpr n ASN 62 Cb 0.62 2.79 0.00 0.00 1.23 0.00 0.00 39.78 44.42 1rpr n ASN 62 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21