#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2psr s ASN 2 N 0.00 5.30 0.99 -3.46 0.01 -1.26 -5.00 114.94 111.52 2psr s ASN 2 Ca 0.00 2.69 -0.15 0.00 -0.71 0.00 0.00 52.86 54.69 2psr s ASN 2 Cb 0.00 -2.63 0.19 0.00 0.41 0.00 0.00 41.25 39.22 2psr s ASN 2 CO 0.00 -1.54 1.17 0.42 -1.51 0.00 0.00 177.10 175.64 2psr s THR 3 N -1.35 1.91 0.21 1.60 -4.23 -1.26 -4.78 115.64 107.74 2psr s THR 3 Ca 0.72 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 61.13 2psr s THR 3 Cb -0.38 -2.74 0.16 0.00 1.34 0.00 0.00 72.50 70.88 2psr s THR 3 CO 0.45 0.00 1.88 -0.61 -0.54 0.00 0.00 174.62 175.80 2psr h GLN 4 N -1.79 1.03 -0.36 3.99 5.75 -1.98 0.18 115.11 121.93 2psr h GLN 4 Ca -0.48 -0.07 -0.12 0.00 -0.15 0.00 0.00 58.65 57.83 2psr h GLN 4 Cb 1.30 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 2psr h GLN 4 CO 0.50 0.70 -0.25 0.00 -2.65 0.00 0.00 178.83 177.13 2psr h ALA 5 N 1.27 0.88 -0.09 3.38 0.00 -1.99 0.40 119.26 123.12 2psr h ALA 5 Ca 0.28 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2psr h ALA 5 Cb -0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2psr h ALA 5 CO -0.06 0.63 -0.01 0.93 0.00 0.00 0.00 179.25 180.74 2psr h GLU 6 N 0.63 0.16 -1.00 0.00 5.08 -1.86 -1.68 114.58 115.92 2psr h GLU 6 Ca 0.08 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 2psr h GLU 6 Cb 0.76 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.92 2psr h GLU 6 CO 0.06 0.45 0.64 0.00 -1.00 0.00 0.00 179.01 179.16 2psr h ARG 7 N -0.14 1.09 -0.65 2.33 3.08 -0.60 -0.60 114.38 118.90 2psr h ARG 7 Ca 0.02 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2psr h ARG 7 Cb 0.39 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 2psr h ARG 7 CO 0.01 0.72 0.35 0.77 -1.07 0.00 0.00 179.97 180.75 2psr h SER 8 N 1.13 0.81 -0.18 7.04 0.02 -0.61 -0.37 113.55 121.39 2psr h SER 8 Ca 0.44 -0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 61.17 2psr h SER 8 Cb 0.24 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2psr h SER 8 CO -0.19 0.67 -0.37 0.40 -1.14 0.00 0.00 176.83 176.19 2psr h ILE 9 N 0.88 1.34 -0.43 3.27 1.08 -0.75 -2.63 117.51 120.28 2psr h ILE 9 Ca 0.23 -1.62 0.03 0.00 -0.39 0.00 0.00 64.86 63.11 2psr h ILE 9 Cb 0.04 1.92 -0.02 0.00 -3.07 0.00 0.00 36.82 35.69 2psr h ILE 9 CO -0.04 0.50 0.29 0.40 -0.69 0.00 0.00 178.15 178.60 2psr h ILE 10 N 0.23 1.05 -0.28 -0.67 2.04 -1.01 -2.15 117.51 116.72 2psr h ILE 10 Ca 0.00 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 2psr h ILE 10 Cb 0.98 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2psr h ILE 10 CO 0.08 0.09 0.04 1.23 0.00 0.00 0.00 178.15 179.59 2psr h GLY 11 N 0.49 0.44 1.72 5.37 0.00 -0.69 -1.89 103.07 108.50 2psr h GLY 11 Ca 0.17 -0.22 -0.17 0.00 0.00 0.00 0.00 47.33 47.11 2psr h GLY 11 CO -0.04 0.21 -0.71 -0.33 0.00 0.00 0.00 176.54 175.67 2psr h MET 12 N 0.40 0.28 -0.37 4.80 2.86 -1.20 0.05 114.93 121.75 2psr h MET 12 Ca 0.09 -0.23 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 2psr h MET 12 Cb 0.21 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 2psr h MET 12 CO 0.00 0.88 -0.02 0.82 1.06 0.00 0.00 176.91 179.65 2psr h ILE 13 N 0.19 1.26 -0.11 -1.22 5.03 -1.21 -1.30 117.51 120.15 2psr h ILE 13 Ca -0.02 -1.03 -0.15 0.00 -0.12 0.00 0.00 64.86 63.54 2psr h ILE 13 Cb 1.27 1.20 -0.01 0.00 -3.03 0.00 0.00 36.82 36.26 2psr h ILE 13 CO 0.11 0.34 -0.58 0.44 -0.68 0.00 0.00 178.15 177.79 2psr h ASP 14 N 0.47 0.40 0.52 1.72 3.32 -1.27 -1.92 116.42 119.67 2psr h ASP 14 Ca 0.10 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 2psr h ASP 14 Cb 0.50 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 2psr h ASP 14 CO 0.02 0.89 -0.29 -0.03 -1.72 0.00 0.00 179.24 178.12 2psr h MET 15 N 0.27 -0.72 -0.92 3.56 4.05 -0.95 -2.04 114.93 118.18 2psr h MET 15 Ca -0.00 0.05 0.16 0.00 -0.28 0.00 0.00 59.70 59.63 2psr h MET 15 Cb 1.09 0.16 -0.16 0.00 -0.80 0.00 0.00 31.60 31.89 2psr h MET 15 CO 0.10 -0.48 -0.31 0.35 0.23 0.00 0.00 176.91 176.80 2psr h PHE 16 N -0.75 -0.78 0.00 1.39 3.57 -1.11 0.13 116.94 119.39 2psr h PHE 16 Ca -0.07 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2psr h PHE 16 Cb 0.60 0.48 0.00 0.00 2.79 0.00 0.00 35.95 39.82 2psr h PHE 16 CO -0.07 -0.40 0.00 0.72 -2.23 0.00 0.00 178.31 176.33 2psr n HIS 17 N -5.53 0.00 0.25 0.41 8.25 -0.73 -1.19 115.22 116.69 2psr n HIS 17 Ca 0.12 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.73 2psr n HIS 17 Cb 0.43 -0.35 0.52 0.00 1.12 0.00 0.00 29.99 31.70 2psr n HIS 17 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2psr h LYS 18 N 0.00 0.00 0.00 -0.41 1.57 0.00 -3.36 116.57 114.37 2psr h LYS 18 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2psr h LYS 18 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2psr h LYS 18 CO 0.00 0.03 0.00 0.66 -0.57 0.00 0.00 179.45 179.57 2psr n TYR 19 N -3.13 0.00 -1.64 -1.35 4.01 -0.33 -5.05 117.16 109.67 2psr n TYR 19 Ca 0.01 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.44 2psr n TYR 19 Cb 0.39 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.46 2psr n TYR 19 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2psr s THR 20 N -0.27 3.97 0.00 -0.72 -4.23 -1.08 -4.59 115.64 108.72 2psr s THR 20 Ca 0.00 0.69 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 2psr s THR 20 Cb 0.00 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.46 2psr s THR 20 CO 0.00 -0.79 0.00 0.54 -0.54 0.00 0.00 174.62 173.83 2psr n ARG 21 N -2.96 1.47 0.13 3.99 1.74 0.00 -4.89 116.66 116.14 2psr n ARG 21 Ca 0.08 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.27 2psr n ARG 21 Cb 0.53 0.00 0.49 0.00 -1.02 0.00 0.00 32.46 32.47 2psr n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2psr n ARG 22 N -0.70 0.16 -0.34 5.56 1.74 -1.26 -0.69 116.66 121.11 2psr n ARG 22 Ca 0.00 0.49 0.06 0.00 -0.77 0.00 0.00 57.85 57.63 2psr n ARG 22 Cb 0.00 -1.87 0.22 0.00 -1.02 0.00 0.00 32.46 29.79 2psr n ARG 22 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2psr n ASP 23 N -2.17 2.95 -2.70 0.55 5.75 -1.26 -4.90 116.55 114.76 2psr n ASP 23 Ca 0.01 -2.20 -0.21 0.00 -0.01 0.00 0.00 54.79 52.38 2psr n ASP 23 Cb 0.15 -0.41 0.01 0.00 -1.03 0.00 0.00 41.12 39.83 2psr n ASP 23 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2psr n ASP 24 N 0.68 -5.73 -4.20 -1.12 2.03 0.13 -4.98 116.55 103.36 2psr n ASP 24 Ca 0.16 -0.13 -0.12 0.00 0.52 0.00 0.00 54.79 55.22 2psr n ASP 24 Cb 0.54 -4.71 -0.10 0.00 -0.72 0.00 0.00 41.12 36.13 2psr n ASP 24 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2psr s LYS 25 N -5.36 0.95 -0.19 -0.67 1.02 -1.26 -4.59 119.74 109.65 2psr s LYS 25 Ca 0.14 -1.42 -0.07 0.00 0.02 0.00 0.00 55.97 54.64 2psr s LYS 25 Cb -0.07 -0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 36.98 2psr s LYS 25 CO 0.18 -0.07 0.06 0.42 -0.92 0.00 0.00 175.35 175.01 2psr s ILE 26 N -3.65 4.69 0.69 2.17 1.01 -0.17 -0.82 121.20 125.13 2psr s ILE 26 Ca 0.17 -0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.70 2psr s ILE 26 Cb 0.06 -3.12 0.06 0.00 0.01 0.00 0.00 42.46 39.47 2psr s ILE 26 CO -0.01 0.45 0.99 1.51 0.00 0.00 0.00 174.94 177.88 2psr s ASP 27 N 0.47 4.80 0.11 3.58 1.47 -1.26 0.03 116.67 125.87 2psr s ASP 27 Ca 0.03 0.34 -0.26 0.00 1.18 0.00 0.00 52.55 53.83 2psr s ASP 27 Cb -0.13 -0.99 -0.10 0.00 -0.34 0.00 0.00 42.92 41.37 2psr s ASP 27 CO 0.01 -1.58 1.65 0.50 0.68 0.00 0.00 175.17 176.43 2psr h LYS 28 N -0.53 -0.41 -0.59 2.11 3.64 -1.98 -0.62 116.57 118.19 2psr h LYS 28 Ca -0.44 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.95 2psr h LYS 28 Cb 1.31 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 33.19 2psr h LYS 28 CO 0.57 -0.27 0.27 -1.35 -2.27 0.00 0.00 179.45 176.40 2psr h PRO 29 N -0.42 0.84 -0.56 1.90 0.11 -1.98 -1.91 132.00 129.98 2psr h PRO 29 Ca 0.02 -0.11 -0.05 0.00 0.11 0.00 0.00 66.00 65.96 2psr h PRO 29 Cb 0.43 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 2psr h PRO 29 CO -0.11 0.67 0.13 0.77 -0.21 0.00 0.00 178.00 179.25 2psr h SER 30 N 0.84 0.82 -0.32 -2.05 0.02 -1.78 -2.18 113.55 108.90 2psr h SER 30 Ca 0.21 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 2psr h SER 30 Cb 0.11 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2psr h SER 30 CO -0.02 0.80 0.05 0.25 -1.14 0.00 0.00 176.83 176.77 2psr h LEU 31 N 0.84 0.51 -1.42 5.07 5.85 -0.38 0.15 115.31 125.94 2psr h LEU 31 Ca 0.18 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2psr h LEU 31 Cb 0.32 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2psr h LEU 31 CO 0.00 0.65 0.34 -0.07 -0.34 0.00 0.00 178.44 179.02 2psr h LEU 32 N 0.36 0.64 -0.25 2.25 3.38 -1.27 -0.30 115.31 120.12 2psr h LEU 32 Ca 0.10 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 2psr h LEU 32 Cb 0.36 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2psr h LEU 32 CO 0.01 0.49 -0.19 0.74 0.09 0.00 0.00 178.44 179.58 2psr h THR 33 N 0.75 1.31 -0.56 0.22 2.02 -1.00 -0.60 112.91 115.04 2psr h THR 33 Ca 0.20 -1.32 0.10 0.00 0.77 0.00 0.00 66.41 66.16 2psr h THR 33 Cb -0.04 1.62 -0.08 0.00 -1.74 0.00 0.00 68.15 67.91 2psr h THR 33 CO -0.04 0.41 0.10 -0.03 0.37 0.00 0.00 175.52 176.34 2psr h MET 34 N 0.28 0.23 -0.51 6.66 1.85 -0.06 -0.53 114.93 122.84 2psr h MET 34 Ca 0.05 -0.01 -0.05 0.00 -0.61 0.00 0.00 59.70 59.08 2psr h MET 34 Cb 0.73 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.68 2psr h MET 34 CO 0.05 0.15 0.14 0.52 -0.40 0.00 0.00 176.91 177.37 2psr h MET 35 N 0.23 0.81 -0.13 0.39 2.07 -0.84 0.43 114.93 117.89 2psr h MET 35 Ca 0.29 -0.19 -0.08 0.00 -2.07 0.00 0.00 59.70 57.65 2psr h MET 35 Cb 0.42 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 30.03 2psr h MET 35 CO -0.39 0.77 -0.30 0.87 1.07 0.00 0.00 176.91 178.93 2psr h LYS 36 N 0.71 0.25 0.08 1.72 1.57 -0.63 -1.13 116.57 119.14 2psr h LYS 36 Ca 0.16 -0.09 -0.26 0.00 -1.87 0.00 0.00 60.65 58.60 2psr h LYS 36 Cb 0.31 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2psr h LYS 36 CO -0.00 0.53 -1.20 0.93 -0.57 0.00 0.00 179.45 179.13 2psr h GLU 37 N 0.22 0.18 0.00 3.15 5.08 -0.70 -3.30 114.58 119.21 2psr h GLU 37 Ca 0.03 -0.31 -0.10 0.00 -1.00 0.00 0.00 59.36 57.99 2psr h GLU 37 Cb 0.64 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2psr h GLU 37 CO 0.05 1.13 -1.74 0.09 -1.00 0.00 0.00 179.01 177.53 2psr n ASN 38 N -3.46 1.80 -2.31 1.42 3.02 0.10 -4.63 115.26 111.21 2psr n ASN 38 Ca -0.07 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.26 2psr n ASN 38 Cb 1.00 1.31 0.01 0.00 -0.61 0.00 0.00 39.78 41.49 2psr n ASN 38 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2psr n PHE 39 N -2.19 2.82 0.16 3.10 3.72 -0.43 -4.89 117.46 119.75 2psr n PHE 39 Ca -0.10 -2.62 0.02 0.00 -0.05 0.00 0.00 57.45 54.70 2psr n PHE 39 Cb 0.59 -0.23 0.37 0.00 -0.94 0.00 0.00 39.48 39.27 2psr n PHE 39 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2psr h PRO 40 N 2.43 0.12 0.05 -1.08 0.13 -1.64 -1.33 132.00 130.67 2psr h PRO 40 Ca 0.28 -0.04 -0.26 0.00 -0.87 0.00 0.00 66.00 65.11 2psr h PRO 40 Cb 1.24 -0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.38 2psr h PRO 40 CO 0.74 0.38 -1.10 -0.91 -0.23 0.00 0.00 178.00 176.88 2psr h ASN 41 N 0.11 0.72 -0.38 1.44 2.35 -1.91 -1.46 115.58 116.44 2psr h ASN 41 Ca 0.02 -0.62 0.06 0.00 -0.55 0.00 0.00 56.30 55.21 2psr h ASN 41 Cb 0.53 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.62 2psr h ASN 41 CO 0.04 1.43 0.04 0.15 -1.65 0.00 0.00 177.43 177.44 2psr h PHE 42 N 0.27 0.05 -0.59 1.19 3.57 -1.87 -1.74 116.94 117.82 2psr h PHE 42 Ca -0.13 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.35 2psr h PHE 42 Cb 1.76 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 40.51 2psr h PHE 42 CO 0.09 -0.03 0.19 -0.07 -2.23 0.00 0.00 178.31 176.25 2psr h LEU 43 N 0.15 0.86 -0.55 0.59 3.38 -1.18 -2.37 115.31 116.19 2psr h LEU 43 Ca 0.19 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2psr h LEU 43 Cb 0.24 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2psr h LEU 43 CO -0.28 0.84 0.31 -1.28 0.09 0.00 0.00 178.44 178.12 2psr h SER 44 N 0.84 0.49 -0.44 -0.43 0.87 -1.14 0.11 113.55 113.84 2psr h SER 44 Ca 0.19 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.79 2psr h SER 44 Cb 0.28 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 2psr h SER 44 CO -0.01 0.34 0.24 0.00 -0.53 0.00 0.00 176.83 176.87 2psr h ALA 45 N 1.27 0.56 -0.24 6.23 0.00 -1.05 -0.58 119.26 125.45 2psr h ALA 45 Ca 0.23 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2psr h ALA 45 Cb 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2psr h ALA 45 CO -0.13 -0.09 0.10 0.00 0.00 0.00 0.00 179.25 179.13 2psr h ASP 47 N 0.23 0.76 0.26 0.00 3.32 -0.35 0.20 116.42 120.84 2psr h ASP 47 Ca 0.10 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2psr h ASP 47 Cb 0.05 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 2psr h ASP 47 CO -0.08 0.45 -0.03 0.11 -1.72 0.00 0.00 179.24 177.96 2psr h LYS 48 N 0.88 0.00 -0.04 3.56 1.57 -0.49 0.22 116.57 122.27 2psr h LYS 48 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 2psr h LYS 48 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2psr h LYS 48 CO -0.22 0.03 0.00 1.63 -0.57 0.00 0.00 179.45 180.32 2psr n LYS 49 N -3.38 1.57 -0.69 3.15 4.76 0.61 -4.91 118.16 119.28 2psr n LYS 49 Ca -0.02 -0.84 0.00 0.00 -2.87 0.00 0.00 58.31 54.58 2psr n LYS 49 Cb 0.15 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 2psr n LYS 49 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2psr n GLY 50 N 1.13 0.66 3.50 0.72 0.00 0.79 -5.05 105.19 106.93 2psr n GLY 50 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 2psr n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2psr s THR 51 N -2.02 4.29 -0.49 2.61 2.01 -0.53 -4.97 115.64 116.54 2psr s THR 51 Ca 0.00 -0.20 -0.16 0.00 0.31 0.00 0.00 61.69 61.65 2psr s THR 51 Cb 0.00 -2.96 0.08 0.00 0.01 0.00 0.00 72.50 69.63 2psr s THR 51 CO 0.00 0.41 0.44 0.21 -0.69 0.00 0.00 174.62 174.98 2psr s ASN 52 N 1.02 6.16 0.36 3.53 3.04 -1.26 -2.21 114.94 125.58 2psr s ASN 52 Ca 0.03 -1.37 0.08 0.00 0.04 0.00 0.00 52.86 51.64 2psr s ASN 52 Cb -0.14 -2.20 0.68 0.00 -1.54 0.00 0.00 41.25 38.05 2psr s ASN 52 CO 0.02 -0.71 1.86 0.22 -3.04 0.00 0.00 177.10 175.46 2psr h TYR 53 N 8.80 0.32 0.00 0.43 3.20 -1.94 -2.92 116.97 124.87 2psr h TYR 53 Ca -0.29 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.54 2psr h TYR 53 Cb 1.11 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.29 2psr h TYR 53 CO 0.66 0.46 -0.07 1.28 -1.64 0.00 0.00 178.16 178.85 2psr n LEU 54 N -4.23 0.38 -0.24 2.82 4.77 -1.26 -2.21 117.00 117.03 2psr n LEU 54 Ca -0.00 0.48 -0.03 0.00 -0.03 0.00 0.00 56.01 56.42 2psr n LEU 54 Cb 0.31 -0.40 0.14 0.00 -2.33 0.00 0.00 43.42 41.14 2psr n LEU 54 CO 0.39 -0.06 1.08 0.00 -1.33 0.00 0.00 177.39 177.47 2psr h ALA 55 N 2.79 1.19 0.00 -1.18 0.00 -1.94 -3.36 119.26 116.75 2psr h ALA 55 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2psr h ALA 55 Cb 0.60 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2psr h ALA 55 CO 0.00 0.60 0.00 -0.40 0.00 0.00 0.00 179.25 179.45 2psr n ASP 56 N -4.31 0.56 -0.19 0.00 5.75 -1.23 -4.82 116.55 112.31 2psr n ASP 56 Ca 0.07 -0.86 -0.01 0.00 -0.01 0.00 0.00 54.79 53.99 2psr n ASP 56 Cb 0.16 0.16 0.10 0.00 -1.03 0.00 0.00 41.12 40.50 2psr n ASP 56 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 2psr h VAL 57 N 0.22 0.75 -0.58 2.12 3.04 -1.59 -0.09 116.25 120.11 2psr h VAL 57 Ca 0.00 -0.12 0.02 0.00 -1.01 0.00 0.00 66.70 65.59 2psr h VAL 57 Cb 0.11 0.37 -0.03 0.00 -2.01 0.00 0.00 31.29 29.72 2psr h VAL 57 CO 0.00 0.06 0.37 0.15 -1.01 0.00 0.00 177.57 177.14 2psr h PHE 58 N 0.35 0.69 -0.24 3.17 3.57 -1.87 0.13 116.94 122.74 2psr h PHE 58 Ca 0.29 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.68 2psr h PHE 58 Cb 0.37 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2psr h PHE 58 CO -0.19 0.42 -0.40 0.93 -2.23 0.00 0.00 178.31 176.83 2psr h GLU 59 N 0.74 0.58 -0.37 1.11 3.07 -1.77 0.21 114.58 118.15 2psr h GLU 59 Ca 0.22 -0.29 -0.15 0.00 -0.50 0.00 0.00 59.36 58.64 2psr h GLU 59 Cb -0.03 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 2psr h GLU 59 CO -0.08 0.88 -0.36 0.87 -1.40 0.00 0.00 179.01 178.93 2psr h LYS 60 N 0.48 0.89 0.00 2.33 1.79 -0.64 -3.32 116.57 118.09 2psr h LYS 60 Ca 0.04 -0.47 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 2psr h LYS 60 Cb 0.91 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 2psr h LYS 60 CO 0.08 1.11 -0.91 1.63 -1.08 0.00 0.00 179.45 180.28 2psr n LYS 61 N -4.11 0.50 -1.48 3.15 4.76 0.40 -4.46 118.16 116.92 2psr n LYS 61 Ca -0.03 0.10 -0.42 0.00 -2.87 0.00 0.00 58.31 55.10 2psr n LYS 61 Cb 0.53 -1.77 -0.02 0.00 -1.84 0.00 0.00 35.03 31.92 2psr n LYS 61 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2psr n ASP 62 N -2.47 3.55 0.03 4.39 2.03 0.73 -4.74 116.55 120.06 2psr n ASP 62 Ca 0.01 -2.76 0.03 0.00 0.52 0.00 0.00 54.79 52.59 2psr n ASP 62 Cb 0.51 -1.44 0.40 0.00 -0.72 0.00 0.00 41.12 39.87 2psr n ASP 62 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2psr h LYS 63 N 6.67 0.48 -0.09 -0.67 3.64 -1.85 0.12 116.57 124.86 2psr h LYS 63 Ca 0.52 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 2psr h LYS 63 Cb 0.63 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2psr h LYS 63 CO 1.90 0.39 0.00 0.27 -2.27 0.00 0.00 179.45 179.74 2psr n ASN 64 N -4.41 2.40 -3.61 4.20 6.94 -1.26 -4.95 115.26 114.56 2psr n ASN 64 Ca 0.02 -1.80 -0.24 0.00 -0.02 0.00 0.00 54.58 52.55 2psr n ASN 64 Cb 0.12 -0.05 0.08 0.00 -2.36 0.00 0.00 39.78 37.57 2psr n ASN 64 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2psr n GLU 65 N 0.85 -7.56 -0.46 -3.83 1.02 0.03 -4.86 120.64 105.83 2psr n GLU 65 Ca 0.17 0.81 0.10 0.00 -0.02 0.00 0.00 57.16 58.22 2psr n GLU 65 Cb 0.49 -5.84 0.32 0.00 -0.02 0.00 0.00 31.44 26.39 2psr n GLU 65 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2psr n ASP 66 N -3.02 4.21 -0.43 1.62 5.75 -1.26 -4.92 116.55 118.49 2psr n ASP 66 Ca -0.03 -2.22 -0.06 0.00 -0.01 0.00 0.00 54.79 52.47 2psr n ASP 66 Cb 0.57 -0.50 -0.02 0.00 -1.03 0.00 0.00 41.12 40.13 2psr n ASP 66 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2psr n LYS 67 N 1.25 -0.79 -4.23 0.11 4.76 -1.26 -4.99 118.16 113.00 2psr n LYS 67 Ca 0.24 0.59 -0.17 0.00 -2.87 0.00 0.00 58.31 56.10 2psr n LYS 67 Cb 0.73 -4.41 -0.11 0.00 -1.84 0.00 0.00 35.03 29.39 2psr n LYS 67 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2psr s LYS 68 N -2.03 1.00 -0.38 1.97 -0.14 -1.26 -4.41 119.74 114.48 2psr s LYS 68 Ca 0.00 -1.26 -0.13 0.00 -1.36 0.00 0.00 55.97 53.22 2psr s LYS 68 Cb 0.00 -0.79 0.02 0.00 -1.68 0.00 0.00 37.83 35.37 2psr s LYS 68 CO 0.00 0.14 0.25 0.42 -0.76 0.00 0.00 175.35 175.40 2psr s ILE 69 N -2.37 4.96 0.73 2.17 -1.09 0.11 -4.78 121.20 120.92 2psr s ILE 69 Ca 0.09 -0.67 -0.03 0.00 -2.23 0.00 0.00 60.65 57.82 2psr s ILE 69 Cb -0.03 -3.73 0.15 0.00 -1.58 0.00 0.00 42.46 37.27 2psr s ILE 69 CO 0.02 -0.22 1.00 -0.90 -1.23 0.00 0.00 174.94 173.60 2psr n ASP 70 N 5.08 1.07 -0.23 3.58 5.68 -1.26 -1.00 116.55 129.47 2psr n ASP 70 Ca -0.12 -1.97 -0.06 0.00 -0.50 0.00 0.00 54.79 52.14 2psr n ASP 70 Cb 0.47 -0.67 0.04 0.00 -1.14 0.00 0.00 41.12 39.82 2psr n ASP 70 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2psr h PHE 71 N -0.79 0.89 -0.47 2.11 3.57 -1.99 0.28 116.94 120.54 2psr h PHE 71 Ca -0.33 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.11 2psr h PHE 71 Cb 1.15 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 2psr h PHE 71 CO 0.00 0.65 0.15 0.66 -2.23 0.00 0.00 178.31 177.54 2psr h SER 72 N 0.88 0.62 0.48 0.41 4.64 -1.99 0.73 113.55 119.32 2psr h SER 72 Ca 0.22 -0.08 -0.21 0.00 -0.47 0.00 0.00 61.79 61.25 2psr h SER 72 Cb 0.07 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 2psr h SER 72 CO -0.03 0.60 -0.90 -0.33 -0.87 0.00 0.00 176.83 175.29 2psr h GLU 73 N 0.67 0.29 -0.43 4.77 5.08 -1.60 -2.57 114.58 120.78 2psr h GLU 73 Ca 0.16 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2psr h GLU 73 Cb 0.20 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2psr h GLU 73 CO -0.01 1.02 0.29 0.35 -1.00 0.00 0.00 179.01 179.65 2psr h PHE 74 N 0.16 0.54 -0.79 4.33 3.57 0.12 -2.26 116.94 122.62 2psr h PHE 74 Ca -0.06 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.49 2psr h PHE 74 Cb 1.54 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 40.05 2psr h PHE 74 CO 0.04 0.34 0.52 -0.07 -2.23 0.00 0.00 178.31 176.91 2psr h LEU 75 N 0.59 0.83 -1.12 0.59 3.38 -0.77 -1.48 115.31 117.32 2psr h LEU 75 Ca 0.16 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 2psr h LEU 75 Cb -0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2psr h LEU 75 CO -0.03 0.57 -0.25 -1.28 0.09 0.00 0.00 178.44 177.54 2psr h SER 76 N 0.96 0.31 -0.24 -0.43 0.87 -1.04 0.03 113.55 114.01 2psr h SER 76 Ca 0.31 -0.09 -0.13 0.00 -1.23 0.00 0.00 61.79 60.65 2psr h SER 76 Cb 0.04 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2psr h SER 76 CO -0.09 0.56 -0.34 0.25 -0.53 0.00 0.00 176.83 176.68 2psr h LEU 77 N 0.28 0.72 -1.26 2.23 5.85 -0.84 -1.58 115.31 120.71 2psr h LEU 77 Ca 0.04 -0.51 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 2psr h LEU 77 Cb 0.59 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 2psr h LEU 77 CO 0.04 1.09 0.35 -0.07 -0.34 0.00 0.00 178.44 179.51 2psr h LEU 78 N 0.37 0.76 -0.62 2.25 3.38 -0.88 -1.32 115.31 119.26 2psr h LEU 78 Ca 0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2psr h LEU 78 Cb 0.93 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2psr h LEU 78 CO 0.08 0.61 0.40 1.23 0.09 0.00 0.00 178.44 180.85 2psr h GLY 79 N 0.92 0.88 1.05 0.83 0.00 -0.76 0.43 103.07 106.42 2psr h GLY 79 Ca 0.22 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 2psr h GLY 79 CO -0.04 0.33 0.08 -0.55 0.00 0.00 0.00 176.54 176.36 2psr h ASP 80 N 0.84 0.99 -0.02 0.19 3.32 -0.78 0.11 116.42 121.07 2psr h ASP 80 Ca 0.23 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 2psr h ASP 80 Cb -0.08 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.21 2psr h ASP 80 CO -0.05 1.01 -0.00 0.40 -1.72 0.00 0.00 179.24 178.88 2psr h ILE 81 N 0.94 1.28 -0.61 0.35 2.04 -0.86 -2.07 117.51 118.58 2psr h ILE 81 Ca 0.18 -0.85 0.12 0.00 1.00 0.00 0.00 64.86 65.31 2psr h ILE 81 Cb 0.45 1.83 -0.09 0.00 -0.74 0.00 0.00 36.82 38.27 2psr h ILE 81 CO 0.02 0.22 0.13 0.00 0.00 0.00 0.00 178.15 178.52 2psr h ALA 82 N 0.65 0.73 -0.66 1.87 0.00 -0.01 -1.98 119.26 119.86 2psr h ALA 82 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2psr h ALA 82 Cb 0.37 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2psr h ALA 82 CO 0.00 -0.31 0.44 1.15 0.00 0.00 0.00 179.25 180.53 2psr h THR 83 N 0.26 1.17 -0.39 0.00 2.02 -0.60 0.12 112.91 115.48 2psr h THR 83 Ca 0.32 -0.31 -0.14 0.00 0.77 0.00 0.00 66.41 67.06 2psr h THR 83 Cb 0.49 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2psr h THR 83 CO -0.41 0.16 -0.31 -0.78 0.37 0.00 0.00 175.52 174.55 2psr h ASP 84 N 0.89 0.91 0.19 4.18 3.58 -0.65 -0.63 116.42 124.90 2psr h ASP 84 Ca 0.24 -0.38 -0.08 0.00 0.42 0.00 0.00 57.03 57.23 2psr h ASP 84 Cb -0.10 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.69 2psr h ASP 84 CO -0.05 1.15 -0.30 1.88 -2.88 0.00 0.00 179.24 179.03 2psr h TYR 85 N 0.73 0.19 -0.07 0.28 0.05 -0.86 -1.09 116.97 116.21 2psr h TYR 85 Ca 0.08 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 2psr h TYR 85 Cb 0.88 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 38.56 2psr h TYR 85 CO 0.05 0.46 -0.01 1.25 -1.05 0.00 0.00 178.16 178.86 2psr h HIS 86 N 0.16 0.15 -0.58 4.88 2.76 -0.32 -1.26 115.15 120.93 2psr h HIS 86 Ca 0.02 -0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.25 2psr h HIS 86 Cb 0.62 -0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.47 2psr h HIS 86 CO 0.01 0.46 0.20 0.87 -1.30 0.00 0.00 177.93 178.16 2psr h LYS 87 N -0.20 0.35 -0.66 5.26 1.57 -1.01 -1.75 116.57 120.14 2psr h LYS 87 Ca 0.02 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2psr h LYS 87 Cb 0.41 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 2psr h LYS 87 CO 0.01 0.23 0.41 1.96 -0.57 0.00 0.00 179.45 181.49 2psr h GLN 88 N 0.36 0.78 0.00 3.15 4.20 -1.04 0.00 115.11 122.57 2psr h GLN 88 Ca 0.29 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.94 2psr h GLN 88 Cb 0.37 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 2psr h GLN 88 CO -0.31 0.52 -0.05 0.66 -0.67 0.00 0.00 178.83 178.98 2psr h SER 89 N 0.81 0.00 -0.38 1.46 4.64 -0.38 0.65 113.55 120.35 2psr h SER 89 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2psr h SER 89 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2psr h SER 89 CO -0.10 0.05 0.00 1.41 -0.87 0.00 0.00 176.83 177.32 2psr n HIS 90 N -3.57 1.06 -0.05 4.77 8.25 -0.17 -4.91 115.22 120.61 2psr n HIS 90 Ca -0.02 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.04 2psr n HIS 90 Cb 0.16 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.03 2psr n HIS 90 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2psr n GLY 91 N 0.65 0.50 3.73 -1.41 0.00 0.23 -5.05 105.19 103.84 2psr n GLY 91 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2psr n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2psr s ALA 92 N -2.20 2.15 0.59 4.61 0.00 -0.29 -4.92 121.76 121.69 2psr s ALA 92 Ca 0.00 0.75 -0.18 0.00 0.00 0.00 0.00 51.96 52.54 2psr s ALA 92 Cb 0.00 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 2psr s ALA 92 CO 0.00 -1.81 1.12 0.00 0.00 0.00 0.00 175.76 175.07 2psr s ALA 93 N -2.16 2.60 0.80 0.00 0.00 -1.26 -4.20 121.76 117.54 2psr s ALA 93 Ca 0.71 0.72 -0.13 0.00 0.00 0.00 0.00 51.96 53.26 2psr s ALA 93 Cb -0.26 -3.35 0.08 0.00 0.00 0.00 0.00 23.12 19.59 2psr s ALA 93 CO 0.46 -0.98 1.20 -1.25 0.00 0.00 0.00 175.76 175.19 2psr s PRO 94 N -3.60 1.70 -1.28 0.00 0.04 -1.26 -2.80 135.00 127.79 2psr s PRO 94 Ca 0.71 1.74 -0.04 0.00 0.04 0.00 0.00 61.00 63.45 2psr s PRO 94 Cb -0.23 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.55 2psr s PRO 94 CO 0.33 -2.17 0.26 0.00 0.04 0.00 0.00 177.00 175.46