#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1psr s ASN 2 N 0.00 6.71 0.98 4.04 0.02 -1.26 -5.03 114.94 120.41 1psr s ASN 2 Ca 0.00 2.69 -0.15 0.00 -1.02 0.00 0.00 52.86 54.38 1psr s ASN 2 Cb 0.00 -2.64 0.19 0.00 0.02 0.00 0.00 41.25 38.81 1psr s ASN 2 CO 0.00 -0.61 1.20 0.42 0.02 0.00 0.00 177.10 178.13 1psr s THR 3 N -0.74 1.91 0.22 1.60 -4.23 -1.26 -4.81 115.64 108.33 1psr s THR 3 Ca 0.53 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.94 1psr s THR 3 Cb -0.41 -2.80 0.17 0.00 1.34 0.00 0.00 72.50 70.80 1psr s THR 3 CO 0.50 0.00 1.87 -0.61 -0.54 0.00 0.00 174.62 175.84 1psr h GLN 4 N -1.74 0.95 -0.61 3.99 4.15 -1.99 -0.30 115.11 119.57 1psr h GLN 4 Ca -0.47 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 58.89 1psr h GLN 4 Cb 1.29 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.74 1psr h GLN 4 CO 0.48 0.63 0.35 0.00 -1.93 0.00 0.00 178.83 178.36 1psr h ALA 5 N 1.31 0.78 -0.29 3.38 0.00 -1.99 -0.07 119.26 122.38 1psr h ALA 5 Ca 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1psr h ALA 5 Cb -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1psr h ALA 5 CO -0.10 0.27 0.06 0.93 0.00 0.00 0.00 179.25 180.42 1psr h GLU 6 N 0.82 0.47 -0.79 0.00 5.08 -1.83 -1.86 114.58 116.47 1psr h GLU 6 Ca 0.22 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1psr h GLU 6 Cb 0.01 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 1psr h GLU 6 CO -0.04 0.56 0.44 0.00 -1.00 0.00 0.00 179.01 178.97 1psr h ARG 7 N 0.30 1.09 -0.65 2.33 3.08 -0.87 -0.96 114.38 118.70 1psr h ARG 7 Ca 0.09 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 1psr h ARG 7 Cb 0.31 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1psr h ARG 7 CO 0.00 0.79 0.08 0.77 -1.07 0.00 0.00 179.97 180.54 1psr h SER 8 N 1.10 1.06 -0.15 7.04 0.02 -0.67 0.22 113.55 122.17 1psr h SER 8 Ca 0.28 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1psr h SER 8 Cb 0.01 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 1psr h SER 8 CO -0.05 1.07 0.06 0.40 -1.14 0.00 0.00 176.83 177.17 1psr h ILE 9 N 1.02 1.15 -0.77 3.27 1.08 -0.92 -1.61 117.51 120.74 1psr h ILE 9 Ca 0.20 -0.46 0.07 0.00 -0.39 0.00 0.00 64.86 64.28 1psr h ILE 9 Cb 0.48 1.19 -0.06 0.00 -3.07 0.00 0.00 36.82 35.35 1psr h ILE 9 CO 0.02 0.14 0.45 0.40 -0.69 0.00 0.00 178.15 178.47 1psr h ILE 10 N 0.09 0.96 -0.12 -0.67 2.04 -0.94 -1.07 117.51 117.79 1psr h ILE 10 Ca 0.05 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 1psr h ILE 10 Cb 0.17 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1psr h ILE 10 CO -0.00 0.14 -0.18 1.23 0.00 0.00 0.00 178.15 179.34 1psr h GLY 11 N 0.79 0.21 1.50 5.37 0.00 -0.72 -0.78 103.07 109.45 1psr h GLY 11 Ca 0.36 -0.14 -0.15 0.00 0.00 0.00 0.00 47.33 47.40 1psr h GLY 11 CO -0.21 0.13 -0.51 -0.33 0.00 0.00 0.00 176.54 175.62 1psr h MET 12 N 0.19 0.53 -0.42 4.80 2.86 -0.22 0.07 114.93 122.73 1psr h MET 12 Ca 0.04 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 1psr h MET 12 Cb 0.43 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1psr h MET 12 CO 0.03 0.92 0.18 0.82 1.06 0.00 0.00 176.91 179.91 1psr h ILE 13 N 0.42 1.20 -0.85 -1.22 5.03 -0.85 -0.98 117.51 120.25 1psr h ILE 13 Ca 0.02 -0.60 -0.01 0.00 -0.12 0.00 0.00 64.86 64.15 1psr h ILE 13 Cb 1.04 0.80 -0.04 0.00 -3.03 0.00 0.00 36.82 35.59 1psr h ILE 13 CO 0.10 0.22 0.51 0.44 -0.68 0.00 0.00 178.15 178.73 1psr h ASP 14 N 0.54 1.03 -0.28 1.72 3.32 -0.96 -1.18 116.42 120.61 1psr h ASP 14 Ca 0.14 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1psr h ASP 14 Cb 0.18 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1psr h ASP 14 CO -0.01 0.79 0.09 -0.03 -1.72 0.00 0.00 179.24 178.36 1psr h MET 15 N 1.18 0.43 -0.32 3.56 4.05 -0.74 -1.83 114.93 121.24 1psr h MET 15 Ca 0.31 -0.09 0.07 0.00 -0.28 0.00 0.00 59.70 59.70 1psr h MET 15 Cb -0.04 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 30.63 1psr h MET 15 CO -0.06 0.49 -0.09 0.35 0.23 0.00 0.00 176.91 177.83 1psr h PHE 16 N 0.28 -0.21 -0.02 1.39 3.57 -0.90 -2.42 116.94 118.63 1psr h PHE 16 Ca 0.09 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1psr h PHE 16 Cb 0.24 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 1psr h PHE 16 CO 0.00 -0.16 -0.03 1.25 -2.23 0.00 0.00 178.31 177.15 1psr h HIS 17 N -0.02 0.03 -0.08 0.41 2.76 -0.92 -1.64 115.15 115.69 1psr h HIS 17 Ca 0.16 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.35 1psr h HIS 17 Cb 0.26 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.21 1psr h HIS 17 CO -0.31 0.06 0.07 -0.22 -1.30 0.00 0.00 177.93 176.23 1psr h LYS 18 N 0.03 0.00 -0.04 5.26 3.64 -0.81 -2.94 116.57 121.71 1psr h LYS 18 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1psr h LYS 18 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1psr h LYS 18 CO 0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 1psr n TYR 19 N -4.24 0.03 -2.63 1.91 4.01 -0.62 -5.02 117.16 110.59 1psr n TYR 19 Ca -0.01 -0.03 -0.29 0.00 -0.16 0.00 0.00 57.90 57.41 1psr n TYR 19 Cb 0.17 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.19 1psr n TYR 19 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1psr s THR 20 N -1.14 4.81 0.38 -0.72 -4.23 -1.11 -4.54 115.64 109.09 1psr s THR 20 Ca 0.17 0.52 -0.01 0.00 -1.18 0.00 0.00 61.69 61.19 1psr s THR 20 Cb 0.12 -3.80 0.08 0.00 1.34 0.00 0.00 72.50 70.24 1psr s THR 20 CO 0.17 -0.73 0.52 0.54 -0.54 0.00 0.00 174.62 174.59 1psr n ARG 21 N -1.84 0.18 0.26 3.99 1.74 -0.33 -4.91 116.66 115.75 1psr n ARG 21 Ca 0.02 -1.35 0.15 0.00 -0.77 0.00 0.00 57.85 55.91 1psr n ARG 21 Cb 0.54 -0.36 0.85 0.00 -1.02 0.00 0.00 32.46 32.47 1psr n ARG 21 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1psr h ARG 22 N 0.00 0.00 -0.05 5.56 -0.00 -1.99 -0.84 114.38 117.05 1psr h ARG 22 Ca -0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.31 1psr h ARG 22 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.59 1psr h ARG 22 CO 0.18 0.00 0.00 -0.40 0.00 0.00 0.00 179.97 179.75 1psr n ASP 23 N -3.93 0.36 -2.22 7.04 5.75 -1.26 -4.89 116.55 117.40 1psr n ASP 23 Ca -0.01 -1.68 -0.18 0.00 -0.01 0.00 0.00 54.79 52.90 1psr n ASP 23 Cb 0.17 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1psr n ASP 23 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1psr n ASP 24 N -0.45 -5.31 -4.22 -1.12 2.03 -0.32 -5.01 116.55 102.15 1psr n ASP 24 Ca 0.10 -0.09 -0.14 0.00 0.52 0.00 0.00 54.79 55.18 1psr n ASP 24 Cb 0.10 -4.31 -0.10 0.00 -0.72 0.00 0.00 41.12 36.08 1psr n ASP 24 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1psr s LYS 25 N -5.09 0.96 -0.16 -0.67 1.02 -1.26 -4.58 119.74 109.97 1psr s LYS 25 Ca 0.08 -1.32 -0.05 0.00 0.02 0.00 0.00 55.97 54.70 1psr s LYS 25 Cb -0.04 -0.58 -0.03 0.00 -0.52 0.00 0.00 37.83 36.66 1psr s LYS 25 CO 0.10 0.08 0.00 0.42 -0.92 0.00 0.00 175.35 175.03 1psr s ILE 26 N -2.95 4.25 0.74 2.17 1.01 0.01 -1.18 121.20 125.26 1psr s ILE 26 Ca 0.12 -0.23 -0.05 0.00 0.00 0.00 0.00 60.65 60.48 1psr s ILE 26 Cb 0.00 -2.88 0.11 0.00 0.01 0.00 0.00 42.46 39.71 1psr s ILE 26 CO 0.00 0.49 1.04 1.51 0.00 0.00 0.00 174.94 177.98 1psr s ASP 27 N 0.25 4.35 0.03 3.58 1.47 -1.26 -0.27 116.67 124.82 1psr s ASP 27 Ca -0.00 0.03 -0.24 0.00 1.18 0.00 0.00 52.55 53.52 1psr s ASP 27 Cb -0.13 -0.48 -0.18 0.00 -0.34 0.00 0.00 42.92 41.79 1psr s ASP 27 CO 0.02 -1.87 1.51 0.50 0.68 0.00 0.00 175.17 176.00 1psr h LYS 28 N -0.70 -0.00 -0.96 2.11 3.64 -1.99 -0.67 116.57 118.00 1psr h LYS 28 Ca -0.41 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.09 1psr h LYS 28 Cb 1.28 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 33.02 1psr h LYS 28 CO 0.47 0.24 0.61 -1.35 -2.27 0.00 0.00 179.45 177.15 1psr h PRO 29 N -0.24 0.88 -0.21 1.90 0.11 -1.99 -1.52 132.00 130.92 1psr h PRO 29 Ca -0.00 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.91 1psr h PRO 29 Cb 0.24 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 1psr h PRO 29 CO 0.00 0.58 -0.49 1.03 -0.21 0.00 0.00 178.00 178.92 1psr h SER 30 N 0.91 0.62 -0.56 -2.05 0.87 -1.85 -1.59 113.55 109.90 1psr h SER 30 Ca 0.47 -0.31 -0.09 0.00 -1.23 0.00 0.00 61.79 60.64 1psr h SER 30 Cb 0.53 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 1psr h SER 30 CO -0.24 1.00 0.03 0.25 -0.53 0.00 0.00 176.83 177.35 1psr h LEU 31 N 0.45 0.97 -0.46 2.23 5.85 -0.37 0.56 115.31 124.55 1psr h LEU 31 Ca 0.02 -0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.40 1psr h LEU 31 Cb 1.01 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1psr h LEU 31 CO 0.09 1.01 -0.06 -0.07 -0.34 0.00 0.00 178.44 179.08 1psr h LEU 32 N 0.93 0.84 -0.72 2.25 3.38 -1.08 -1.17 115.31 119.74 1psr h LEU 32 Ca 0.17 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1psr h LEU 32 Cb 0.50 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1psr h LEU 32 CO 0.02 0.98 0.45 0.74 0.09 0.00 0.00 178.44 180.72 1psr h THR 33 N 0.68 1.20 -0.43 0.22 2.02 -1.08 -1.27 112.91 114.26 1psr h THR 33 Ca 0.12 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 66.93 1psr h THR 33 Cb 0.58 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1psr h THR 33 CO 0.03 0.20 0.18 -0.03 0.37 0.00 0.00 175.52 176.28 1psr h MET 34 N 0.99 0.36 -0.24 6.66 1.85 -0.53 -0.05 114.93 123.97 1psr h MET 34 Ca 0.26 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.32 1psr h MET 34 Cb -0.06 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 31.88 1psr h MET 34 CO -0.05 0.24 0.11 0.52 -0.40 0.00 0.00 176.91 177.33 1psr h MET 35 N 0.37 0.34 -0.79 0.39 2.07 -0.84 -0.52 114.93 115.96 1psr h MET 35 Ca 0.19 -0.05 -0.02 0.00 -2.07 0.00 0.00 59.70 57.75 1psr h MET 35 Cb 0.14 -0.06 -0.04 0.00 -1.87 0.00 0.00 31.60 29.77 1psr h MET 35 CO -0.16 0.35 0.40 0.87 1.07 0.00 0.00 176.91 179.43 1psr h LYS 36 N 0.25 1.12 0.06 1.72 1.57 -0.82 0.59 116.57 121.06 1psr h LYS 36 Ca 0.08 -0.15 -0.24 0.00 -1.87 0.00 0.00 60.65 58.48 1psr h LYS 36 Cb 0.12 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1psr h LYS 36 CO -0.01 0.84 -1.08 0.93 -0.57 0.00 0.00 179.45 179.56 1psr h GLU 37 N 1.11 0.17 0.00 3.15 5.08 -0.88 -3.33 114.58 119.87 1psr h GLU 37 Ca 0.27 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 1psr h GLU 37 Cb 0.08 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1psr h GLU 37 CO -0.04 1.09 -1.72 0.09 -1.00 0.00 0.00 179.01 177.43 1psr n ASN 38 N -3.50 2.04 -2.46 1.42 4.13 -0.22 -4.68 115.26 112.00 1psr n ASN 38 Ca -0.05 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 55.99 1psr n ASN 38 Cb 0.95 1.15 0.01 0.00 -1.54 0.00 0.00 39.78 40.35 1psr n ASN 38 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1psr n PHE 39 N -2.22 2.90 0.10 3.10 3.72 0.19 -4.89 117.46 120.36 1psr n PHE 39 Ca -0.12 -2.91 0.00 0.00 -0.05 0.00 0.00 57.45 54.37 1psr n PHE 39 Cb 0.64 -0.17 0.30 0.00 -0.94 0.00 0.00 39.48 39.32 1psr n PHE 39 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1psr h PRO 40 N 2.59 0.24 -0.42 -1.08 0.13 -1.67 -2.04 132.00 129.75 1psr h PRO 40 Ca 0.23 -0.08 -0.08 0.00 -0.87 0.00 0.00 66.00 65.20 1psr h PRO 40 Cb 1.06 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1psr h PRO 40 CO 0.76 0.50 -0.04 -0.91 -0.23 0.00 0.00 178.00 178.08 1psr h ASN 41 N 0.22 0.77 0.06 1.44 2.35 -1.92 0.93 115.58 119.41 1psr h ASN 41 Ca 0.03 -0.33 -0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1psr h ASN 41 Cb 0.60 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1psr h ASN 41 CO 0.04 0.91 -0.03 0.15 -1.65 0.00 0.00 177.43 176.86 1psr h PHE 42 N 0.60 -0.07 -0.68 1.19 3.57 -1.93 -1.39 116.94 118.23 1psr h PHE 42 Ca 0.11 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1psr h PHE 42 Cb 0.55 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 1psr h PHE 42 CO 0.04 -0.01 0.30 -0.07 -2.23 0.00 0.00 178.31 176.34 1psr h LEU 43 N -0.11 0.90 -0.87 0.59 3.38 -1.29 -1.21 115.31 116.71 1psr h LEU 43 Ca -0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1psr h LEU 43 Cb 0.09 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1psr h LEU 43 CO 0.01 0.79 0.49 -1.28 0.09 0.00 0.00 178.44 178.54 1psr h SER 44 N 0.98 1.08 -0.48 -0.43 0.87 -0.59 0.11 113.55 115.08 1psr h SER 44 Ca 0.23 -0.09 -0.08 0.00 -1.23 0.00 0.00 61.79 60.63 1psr h SER 44 Cb 0.15 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 1psr h SER 44 CO -0.03 0.86 -0.00 0.00 -0.53 0.00 0.00 176.83 177.13 1psr h ALA 45 N 1.27 0.64 -0.22 6.23 0.00 -0.64 0.11 119.26 126.65 1psr h ALA 45 Ca 0.31 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1psr h ALA 45 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1psr h ALA 45 CO -0.05 0.45 0.13 0.00 0.00 0.00 0.00 179.25 179.77 1psr h ASP 47 N 0.26 1.12 -0.94 0.00 3.32 -0.43 -0.69 116.42 119.07 1psr h ASP 47 Ca 0.09 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.05 1psr h ASP 47 Cb -0.00 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.22 1psr h ASP 47 CO -0.04 0.90 0.62 0.11 -1.72 0.00 0.00 179.24 179.11 1psr h LYS 48 N 1.25 1.25 0.00 3.56 1.57 -0.61 -2.61 116.57 120.98 1psr h LYS 48 Ca 0.32 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1psr h LYS 48 Cb 0.02 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.05 1psr h LYS 48 CO -0.05 0.83 -0.23 0.36 -0.57 0.00 0.00 179.45 179.78 1psr n LYS 49 N -4.39 0.13 -0.13 3.15 2.85 -0.71 -4.94 118.16 114.13 1psr n LYS 49 Ca 0.11 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.44 1psr n LYS 49 Cb 0.02 -1.61 0.00 0.00 -0.65 0.00 0.00 35.03 32.78 1psr n LYS 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1psr n GLY 50 N 1.42 0.93 3.51 2.58 0.00 -0.55 -5.07 105.19 108.01 1psr n GLY 50 Ca 0.06 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 1psr n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1psr s THR 51 N -2.00 4.60 -0.75 2.61 2.01 -0.38 -5.02 115.64 116.71 1psr s THR 51 Ca 0.00 -0.08 -0.18 0.00 0.31 0.00 0.00 61.69 61.74 1psr s THR 51 Cb 0.00 -3.15 0.13 0.00 0.01 0.00 0.00 72.50 69.50 1psr s THR 51 CO 0.00 0.34 0.88 0.21 -0.69 0.00 0.00 174.62 175.36 1psr s ASN 52 N 1.45 6.44 0.38 3.53 3.04 -1.26 -3.49 114.94 125.03 1psr s ASN 52 Ca 0.06 -1.84 0.06 0.00 0.04 0.00 0.00 52.86 51.18 1psr s ASN 52 Cb -0.15 -2.33 0.74 0.00 -1.54 0.00 0.00 41.25 37.98 1psr s ASN 52 CO 0.05 -1.02 1.96 0.22 -3.04 0.00 0.00 177.10 175.27 1psr h TYR 53 N 8.83 0.49 0.00 0.43 3.20 -1.93 -2.53 116.97 125.45 1psr h TYR 53 Ca -0.07 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.78 1psr h TYR 53 Cb 1.06 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.17 1psr h TYR 53 CO 0.99 0.42 0.00 1.28 -1.64 0.00 0.00 178.16 179.21 1psr n LEU 54 N -4.37 0.34 -0.34 2.82 4.77 -1.26 -2.61 117.00 116.35 1psr n LEU 54 Ca 0.02 0.55 -0.03 0.00 -0.03 0.00 0.00 56.01 56.52 1psr n LEU 54 Cb 0.17 -0.47 0.11 0.00 -2.33 0.00 0.00 43.42 40.90 1psr n LEU 54 CO 0.37 -0.21 1.23 0.00 -1.33 0.00 0.00 177.39 177.46 1psr h ALA 55 N 2.63 1.24 0.00 -1.18 0.00 -1.87 -3.35 119.26 116.73 1psr h ALA 55 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1psr h ALA 55 Cb 0.48 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1psr h ALA 55 CO 0.00 0.66 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 1psr n ASP 56 N -4.36 0.50 -0.32 0.00 5.75 -1.24 -4.81 116.55 112.06 1psr n ASP 56 Ca 0.11 -1.23 0.03 0.00 -0.01 0.00 0.00 54.79 53.69 1psr n ASP 56 Cb 0.06 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.33 1psr n ASP 56 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 1psr h VAL 57 N 1.98 0.96 -0.04 2.12 3.04 -1.63 -0.11 116.25 122.57 1psr h VAL 57 Ca 0.00 -0.32 -0.00 0.00 -1.01 0.00 0.00 66.70 65.37 1psr h VAL 57 Cb 0.79 -0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 30.03 1psr h VAL 57 CO 0.00 0.17 0.01 0.15 -1.01 0.00 0.00 177.57 176.89 1psr h PHE 58 N 0.92 0.05 -0.18 3.17 3.57 -1.87 -1.73 116.94 120.87 1psr h PHE 58 Ca 0.42 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.82 1psr h PHE 58 Cb 0.33 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1psr h PHE 58 CO -0.03 0.20 -0.31 0.93 -2.23 0.00 0.00 178.31 176.86 1psr h GLU 59 N -0.11 0.37 -0.33 1.11 3.07 -1.77 0.19 114.58 117.10 1psr h GLU 59 Ca 0.01 -0.15 -0.12 0.00 -0.50 0.00 0.00 59.36 58.61 1psr h GLU 59 Cb 0.17 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1psr h GLU 59 CO -0.00 0.64 -0.28 0.87 -1.40 0.00 0.00 179.01 178.84 1psr h LYS 60 N 0.32 0.69 0.00 2.33 1.79 -0.90 -3.25 116.57 117.55 1psr h LYS 60 Ca 0.04 -0.30 -0.04 0.00 -2.18 0.00 0.00 60.65 58.17 1psr h LYS 60 Cb 0.71 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 1psr h LYS 60 CO 0.05 0.89 -0.99 0.87 -1.08 0.00 0.00 179.45 179.20 1psr h LYS 61 N 0.59 0.00 -3.87 3.15 1.79 -1.00 -3.40 116.57 113.83 1psr h LYS 61 Ca 0.07 0.00 -0.74 0.00 -2.18 0.00 0.00 60.65 57.80 1psr h LYS 61 Cb 0.78 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.30 1psr h LYS 61 CO 0.06 0.09 2.16 -3.47 -1.08 0.00 0.00 179.45 177.21 1psr n ASP 62 N -2.79 4.87 0.04 0.86 2.03 0.03 -4.80 116.55 116.78 1psr n ASP 62 Ca -0.02 -3.03 -0.00 0.00 0.52 0.00 0.00 54.79 52.25 1psr n ASP 62 Cb 0.62 -1.54 0.29 0.00 -0.72 0.00 0.00 41.12 39.78 1psr n ASP 62 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1psr h LYS 63 N 6.06 0.43 -0.01 -0.67 1.79 -1.80 -1.94 116.57 120.43 1psr h LYS 63 Ca 0.42 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 1psr h LYS 63 Cb 0.67 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1psr h LYS 63 CO 1.62 0.55 -0.05 0.27 -1.08 0.00 0.00 179.45 180.76 1psr n ASN 64 N -4.22 0.69 -2.63 0.86 6.94 -1.26 -4.94 115.26 110.69 1psr n ASN 64 Ca 0.00 -1.01 -0.20 0.00 -0.02 0.00 0.00 54.58 53.36 1psr n ASN 64 Cb 0.30 -0.02 0.02 0.00 -2.36 0.00 0.00 39.78 37.73 1psr n ASN 64 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1psr n GLU 65 N -0.59 -3.89 -0.06 -3.83 1.02 -0.73 -4.87 120.64 107.69 1psr n GLU 65 Ca 0.19 0.84 0.11 0.00 -0.02 0.00 0.00 57.16 58.28 1psr n GLU 65 Cb 0.26 -5.50 0.42 0.00 -0.02 0.00 0.00 31.44 26.60 1psr n GLU 65 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1psr n ASP 66 N -2.01 1.52 -2.53 1.62 5.75 -1.26 -4.93 116.55 114.72 1psr n ASP 66 Ca -0.13 -1.64 -0.19 0.00 -0.01 0.00 0.00 54.79 52.82 1psr n ASP 66 Cb 0.62 -0.08 0.02 0.00 -1.03 0.00 0.00 41.12 40.65 1psr n ASP 66 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1psr n LYS 67 N 0.22 -3.56 -3.94 0.11 4.76 -1.26 -5.00 118.16 109.48 1psr n LYS 67 Ca 0.17 0.84 -0.09 0.00 -2.87 0.00 0.00 58.31 56.35 1psr n LYS 67 Cb 0.32 -5.45 -0.09 0.00 -1.84 0.00 0.00 35.03 27.96 1psr n LYS 67 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1psr s LYS 68 N -5.39 0.61 -0.28 1.97 1.02 -1.26 -4.51 119.74 111.90 1psr s LYS 68 Ca 0.19 -0.83 -0.04 0.00 0.02 0.00 0.00 55.97 55.32 1psr s LYS 68 Cb -0.09 0.24 0.02 0.00 -0.52 0.00 0.00 37.83 37.48 1psr s LYS 68 CO 0.24 -0.15 0.01 0.42 -0.92 0.00 0.00 175.35 174.95 1psr s ILE 69 N -2.86 3.39 0.71 2.17 -1.09 0.62 -4.81 121.20 119.34 1psr s ILE 69 Ca -0.03 -0.93 -0.04 0.00 -2.23 0.00 0.00 60.65 57.42 1psr s ILE 69 Cb 0.00 -2.77 0.15 0.00 -1.58 0.00 0.00 42.46 38.26 1psr s ILE 69 CO -0.06 0.09 0.97 -0.90 -1.23 0.00 0.00 174.94 173.82 1psr n ASP 70 N 4.75 0.92 -0.29 3.58 5.75 -1.26 -0.81 116.55 129.20 1psr n ASP 70 Ca -0.15 -1.87 -0.05 0.00 -0.01 0.00 0.00 54.79 52.71 1psr n ASP 70 Cb 0.47 -0.67 0.06 0.00 -1.03 0.00 0.00 41.12 39.96 1psr n ASP 70 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 1psr h PHE 71 N -0.88 1.10 -0.65 2.11 3.57 -1.99 -0.39 116.94 119.81 1psr h PHE 71 Ca -0.32 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.06 1psr h PHE 71 Cb 1.09 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 1psr h PHE 71 CO 0.00 0.78 0.09 0.66 -2.23 0.00 0.00 178.31 177.61 1psr h SER 72 N 1.09 1.04 -0.46 0.41 4.64 -1.99 0.10 113.55 118.38 1psr h SER 72 Ca 0.27 -0.25 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 1psr h SER 72 Cb 0.07 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 1psr h SER 72 CO -0.04 1.04 0.03 -0.33 -0.87 0.00 0.00 176.83 176.65 1psr h GLU 73 N 1.01 0.86 -0.66 4.77 5.08 -1.78 -1.74 114.58 122.12 1psr h GLU 73 Ca 0.20 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1psr h GLU 73 Cb 0.45 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1psr h GLU 73 CO 0.01 0.85 0.29 0.35 -1.00 0.00 0.00 179.01 179.51 1psr h PHE 74 N 0.81 0.97 -0.94 4.33 3.57 -0.67 -2.00 116.94 123.00 1psr h PHE 74 Ca 0.16 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1psr h PHE 74 Cb 0.45 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 1psr h PHE 74 CO 0.03 0.74 0.63 -0.07 -2.23 0.00 0.00 178.31 177.41 1psr h LEU 75 N 0.91 1.08 -0.89 0.59 3.38 -0.46 -0.29 115.31 119.64 1psr h LEU 75 Ca 0.22 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1psr h LEU 75 Cb 0.16 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1psr h LEU 75 CO -0.02 0.78 0.30 0.28 0.09 0.00 0.00 178.44 179.87 1psr h SER 76 N 1.28 1.03 -0.24 -0.43 0.02 -0.85 0.60 113.55 114.95 1psr h SER 76 Ca 0.35 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1psr h SER 76 Cb -0.14 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.12 1psr h SER 76 CO -0.08 0.91 0.12 0.25 -1.14 0.00 0.00 176.83 176.89 1psr h LEU 77 N 1.09 0.31 -1.22 5.07 5.85 -0.71 -1.22 115.31 124.48 1psr h LEU 77 Ca 0.25 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1psr h LEU 77 Cb 0.20 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1psr h LEU 77 CO -0.02 0.34 0.53 -0.07 -0.34 0.00 0.00 178.44 178.88 1psr h LEU 78 N 0.26 0.90 -0.96 2.25 3.38 -0.66 -1.42 115.31 119.06 1psr h LEU 78 Ca 0.08 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1psr h LEU 78 Cb 0.11 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1psr h LEU 78 CO -0.01 0.63 0.28 1.23 0.09 0.00 0.00 178.44 180.66 1psr h GLY 79 N 1.05 1.11 0.98 0.83 0.00 -0.41 0.95 103.07 107.57 1psr h GLY 79 Ca 0.31 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1psr h GLY 79 CO -0.08 0.55 0.27 -0.55 0.00 0.00 0.00 176.54 176.73 1psr h ASP 80 N 1.01 0.61 -0.36 0.19 3.32 -0.36 0.54 116.42 121.37 1psr h ASP 80 Ca 0.24 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1psr h ASP 80 Cb 0.20 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1psr h ASP 80 CO -0.02 0.53 0.10 0.40 -1.72 0.00 0.00 179.24 178.52 1psr h ILE 81 N 0.64 1.22 -0.83 0.35 2.04 -0.95 -2.02 117.51 117.97 1psr h ILE 81 Ca 0.17 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 1psr h ILE 81 Cb 0.05 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1psr h ILE 81 CO -0.03 0.25 0.41 0.00 0.00 0.00 0.00 178.15 178.79 1psr h ALA 82 N 0.94 1.06 -0.85 1.87 0.00 -0.67 -1.10 119.26 120.51 1psr h ALA 82 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1psr h ALA 82 Cb 0.29 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1psr h ALA 82 CO -0.00 0.61 0.53 1.15 0.00 0.00 0.00 179.25 181.55 1psr h THR 83 N 1.17 1.23 -0.37 0.00 2.02 -0.71 0.15 112.91 116.40 1psr h THR 83 Ca 0.29 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1psr h THR 83 Cb 0.09 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 1psr h THR 83 CO -0.04 0.23 0.22 -0.78 0.37 0.00 0.00 175.52 175.52 1psr h ASP 84 N 1.16 0.45 -0.34 4.18 3.58 -0.62 -0.41 116.42 124.43 1psr h ASP 84 Ca 0.31 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.67 1psr h ASP 84 Cb -0.08 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 1psr h ASP 84 CO -0.06 0.38 0.12 1.88 -2.88 0.00 0.00 179.24 178.68 1psr h TYR 85 N 0.48 0.59 -0.36 0.28 -1.99 -0.73 0.67 116.97 115.92 1psr h TYR 85 Ca 0.13 -0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.76 1psr h TYR 85 Cb 0.02 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.55 1psr h TYR 85 CO -0.03 0.50 -0.05 1.25 -0.00 0.00 0.00 178.16 179.82 1psr h HIS 86 N 0.58 0.73 -0.68 4.88 2.76 -0.25 -1.25 115.15 121.93 1psr h HIS 86 Ca 0.14 -0.15 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 1psr h HIS 86 Cb 0.18 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 1psr h HIS 86 CO 0.01 0.80 0.34 0.87 -1.30 0.00 0.00 177.93 178.65 1psr h LYS 87 N 0.46 0.97 -0.81 5.26 1.57 -0.62 -2.08 116.57 121.31 1psr h LYS 87 Ca 0.09 -0.13 0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1psr h LYS 87 Cb 0.54 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 1psr h LYS 87 CO 0.03 0.75 0.53 1.96 -0.57 0.00 0.00 179.45 182.15 1psr h GLN 88 N 0.94 0.87 0.00 3.15 4.20 -0.63 -1.54 115.11 122.09 1psr h GLN 88 Ca 0.24 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1psr h GLN 88 Cb 0.09 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1psr h GLN 88 CO -0.03 0.57 0.00 0.66 -0.67 0.00 0.00 178.83 179.36 1psr h SER 89 N 0.89 0.00 -0.51 1.46 4.64 -0.51 -0.70 113.55 118.82 1psr h SER 89 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1psr h SER 89 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1psr h SER 89 CO -0.12 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.25 1psr n HIS 90 N -2.69 0.67 0.00 4.77 8.25 -0.66 -4.97 115.22 120.60 1psr n HIS 90 Ca 0.00 -0.39 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 1psr n HIS 90 Cb 0.20 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.30 1psr n HIS 90 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1psr n GLY 91 N 1.34 0.77 3.77 -1.41 0.00 -0.27 -5.08 105.19 104.31 1psr n GLY 91 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1psr n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1psr s ALA 92 N -2.00 2.83 0.44 4.61 0.00 -0.73 -4.95 121.76 121.95 1psr s ALA 92 Ca 0.00 0.86 -0.26 0.00 0.00 0.00 0.00 51.96 52.56 1psr s ALA 92 Cb 0.00 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.67 1psr s ALA 92 CO 0.00 -0.69 1.43 0.00 0.00 0.00 0.00 175.76 176.51 1psr n ALA 93 N -0.92 2.06 -1.20 0.00 0.00 -1.26 -4.29 120.51 114.90 1psr n ALA 93 Ca 0.10 0.27 -0.33 0.00 0.00 0.00 0.00 53.44 53.48 1psr n ALA 93 Cb 0.50 -2.39 0.10 0.00 0.00 0.00 0.00 19.45 17.66 1psr n ALA 93 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1psr s PRO 94 N -2.37 2.01 -1.06 0.00 0.04 -1.26 -3.89 135.00 128.47 1psr s PRO 94 Ca 0.60 1.52 -0.00 0.00 0.04 0.00 0.00 61.00 63.15 1psr s PRO 94 Cb -0.46 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.24 1psr s PRO 94 CO 0.59 -1.88 0.88 0.00 0.04 0.00 0.00 177.00 176.63 1psr n SER 96 N -2.90 0.76 0.00 0.00 3.41 -1.25 -4.93 113.62 108.71 1psr n SER 96 Ca -0.25 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1psr n SER 96 Cb 0.65 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1psr n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1psr n GLY 97 N 1.32 0.68 3.22 5.00 0.00 -1.26 -5.03 105.19 109.11 1psr n GLY 97 Ca 0.04 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.06 1psr n GLY 97 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1psr s GLY 98 N -1.09 1.36 -0.30 -0.02 0.00 -1.26 -5.00 107.32 101.02 1psr s GLY 98 Ca 0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 44.72 43.58 1psr s GLY 98 CO 0.00 -0.20 0.84 -0.45 0.00 0.00 0.00 173.10 173.29 1psr s SER 99 N 0.52 -0.82 0.00 1.64 0.15 -1.26 -5.25 113.70 108.68 1psr s SER 99 Ca -0.14 1.13 0.00 0.00 0.70 0.00 0.00 55.95 57.65 1psr s SER 99 Cb -0.17 1.93 0.00 0.00 -1.71 0.00 0.00 66.02 66.07 1psr s SER 99 CO 0.05 -0.16 0.00 0.00 1.20 0.00 0.00 173.24 174.33