#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3psr s ASN 2 N 0.00 5.39 0.80 -3.46 0.01 -1.26 -5.11 114.94 111.31 3psr s ASN 2 Ca 0.00 0.10 -0.11 0.00 -0.71 0.00 0.00 52.86 52.14 3psr s ASN 2 Cb 0.00 -1.75 0.07 0.00 0.41 0.00 0.00 41.25 39.98 3psr s ASN 2 CO 0.00 0.27 1.09 0.42 -1.51 0.00 0.00 177.10 177.37 3psr s THR 3 N -0.24 3.17 0.28 1.60 -4.23 -1.26 -4.83 115.64 110.14 3psr s THR 3 Ca 0.07 0.38 0.02 0.00 -1.18 0.00 0.00 61.69 60.97 3psr s THR 3 Cb -0.12 -3.02 0.27 0.00 1.34 0.00 0.00 72.50 70.97 3psr s THR 3 CO 0.02 -0.50 1.71 -0.61 -0.54 0.00 0.00 174.62 174.70 3psr h GLN 4 N -1.15 0.43 0.05 3.99 5.75 -1.99 -1.68 115.11 120.52 3psr h GLN 4 Ca -0.47 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.01 3psr h GLN 4 Cb 1.26 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.71 3psr h GLN 4 CO 0.56 0.29 -0.03 0.00 -2.65 0.00 0.00 178.83 177.00 3psr h ALA 5 N 1.66 -0.07 -0.15 3.38 0.00 -1.99 -1.23 119.26 120.86 3psr h ALA 5 Ca 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 3psr h ALA 5 Cb 0.91 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3psr h ALA 5 CO -0.48 -0.49 0.06 0.93 0.00 0.00 0.00 179.25 179.27 3psr h GLU 6 N -0.18 0.21 -0.84 0.00 5.08 -1.80 -2.17 114.58 114.88 3psr h GLU 6 Ca -0.01 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3psr h GLU 6 Cb 0.15 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 3psr h GLU 6 CO 0.01 0.29 0.52 0.00 -1.00 0.00 0.00 179.01 178.83 3psr h ARG 7 N 0.09 0.91 -0.91 2.33 3.08 -1.28 -0.04 114.38 118.55 3psr h ARG 7 Ca 0.05 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.10 3psr h ARG 7 Cb 0.15 -0.21 -0.06 0.00 0.08 0.00 0.00 29.97 29.94 3psr h ARG 7 CO -0.00 0.60 0.59 1.03 -1.07 0.00 0.00 179.97 181.12 3psr h SER 8 N 0.94 0.94 -0.11 7.04 0.87 -0.85 0.20 113.55 122.57 3psr h SER 8 Ca 0.37 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.90 3psr h SER 8 Cb 0.19 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 3psr h SER 8 CO -0.18 0.61 -0.08 0.40 -0.53 0.00 0.00 176.83 177.05 3psr h ILE 9 N 1.07 1.34 -1.00 2.23 2.04 -0.49 -2.63 117.51 120.08 3psr h ILE 9 Ca 0.38 -1.18 0.09 0.00 1.00 0.00 0.00 64.86 65.16 3psr h ILE 9 Cb 0.15 1.88 -0.07 0.00 -0.74 0.00 0.00 36.82 38.03 3psr h ILE 9 CO -0.14 0.34 0.64 0.40 0.00 0.00 0.00 178.15 179.39 3psr h ILE 10 N -0.13 1.02 -0.82 -0.67 2.04 -0.44 -0.50 117.51 118.02 3psr h ILE 10 Ca 0.02 -0.37 0.07 0.00 1.00 0.00 0.00 64.86 65.57 3psr h ILE 10 Cb 0.57 -0.17 -0.06 0.00 -0.74 0.00 0.00 36.82 36.42 3psr h ILE 10 CO 0.02 0.20 0.50 1.23 0.00 0.00 0.00 178.15 180.10 3psr h GLY 11 N 1.09 1.24 1.14 5.37 0.00 -0.50 0.72 103.07 112.13 3psr h GLY 11 Ca 0.46 -0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.45 3psr h GLY 11 CO -0.21 0.23 0.53 -0.33 0.00 0.00 0.00 176.54 176.77 3psr h MET 12 N 0.90 1.01 -0.29 4.80 2.86 -0.72 0.22 114.93 123.72 3psr h MET 12 Ca 0.37 -0.06 -0.15 0.00 -2.06 0.00 0.00 59.70 57.79 3psr h MET 12 Cb 0.20 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3psr h MET 12 CO -0.18 0.67 -0.44 0.82 1.06 0.00 0.00 176.91 178.83 3psr h ILE 13 N 1.04 1.29 -0.13 -1.22 2.04 -0.80 -0.53 117.51 119.19 3psr h ILE 13 Ca 0.31 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 3psr h ILE 13 Cb -0.04 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3psr h ILE 13 CO -0.08 0.53 0.05 0.44 0.00 0.00 0.00 178.15 179.08 3psr h ASP 14 N 0.59 0.19 -0.62 1.72 5.19 0.17 -2.16 116.42 121.49 3psr h ASP 14 Ca 0.04 -0.19 0.10 0.00 -0.62 0.00 0.00 57.03 56.36 3psr h ASP 14 Cb 1.00 -0.05 -0.07 0.00 0.18 0.00 0.00 39.33 40.39 3psr h ASP 14 CO 0.10 0.32 0.23 -0.03 -3.12 0.00 0.00 179.24 176.74 3psr h MET 15 N 0.04 0.40 0.12 3.56 4.05 -0.44 -2.57 114.93 120.09 3psr h MET 15 Ca 0.04 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.46 3psr h MET 15 Cb 0.20 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 30.86 3psr h MET 15 CO -0.00 0.27 -0.48 0.35 0.23 0.00 0.00 176.91 177.27 3psr h PHE 16 N 0.41 -1.37 0.00 1.39 3.57 -0.73 -2.07 116.94 118.13 3psr h PHE 16 Ca 0.31 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.85 3psr h PHE 16 Cb 0.39 0.59 0.00 0.00 2.79 0.00 0.00 35.95 39.72 3psr h PHE 16 CO -0.17 -0.57 0.00 0.72 -2.23 0.00 0.00 178.31 176.07 3psr n HIS 17 N -5.48 0.53 0.25 0.41 8.25 -0.85 -1.81 115.22 116.53 3psr n HIS 17 Ca -0.08 0.25 0.11 0.00 -0.26 0.00 0.00 57.72 57.74 3psr n HIS 17 Cb 0.40 -0.89 0.66 0.00 1.12 0.00 0.00 29.99 31.28 3psr n HIS 17 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3psr h LYS 18 N 0.00 0.00 -0.29 -0.41 3.64 -0.99 -2.85 116.57 115.67 3psr h LYS 18 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3psr h LYS 18 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3psr h LYS 18 CO 0.00 0.15 0.00 0.66 -2.27 0.00 0.00 179.45 177.99 3psr n TYR 19 N -3.68 0.65 1.23 1.91 4.02 -0.75 -4.52 117.16 116.02 3psr n TYR 19 Ca -0.02 -0.67 0.13 0.00 -0.01 0.00 0.00 57.90 57.33 3psr n TYR 19 Cb 0.27 -0.15 0.29 0.00 -0.02 0.00 0.00 39.34 39.73 3psr n TYR 19 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3psr n THR 20 N 0.02 0.00 -3.51 -0.72 -2.24 -1.07 -4.56 114.28 102.19 3psr n THR 20 Ca 0.15 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3psr n THR 20 Cb 0.62 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 3psr n THR 20 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3psr n ARG 21 N 0.30 0.00 0.00 -0.78 1.74 -1.26 -1.84 116.66 114.81 3psr n ARG 21 Ca 0.15 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.36 3psr n ARG 21 Cb 0.44 0.00 0.44 0.00 -1.02 0.00 0.00 32.46 32.32 3psr n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3psr n ARG 22 N 14.00 1.31 0.00 5.56 5.12 -1.26 -4.92 116.66 136.47 3psr n ARG 22 Ca 0.00 -0.79 0.00 0.00 -1.93 0.00 0.00 57.85 55.13 3psr n ARG 22 Cb 0.00 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 29.82 3psr n ARG 22 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 3psr n ASP 23 N -0.16 1.03 -1.16 0.55 5.75 -0.77 -5.04 116.55 116.76 3psr n ASP 23 Ca 0.16 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 54.95 3psr n ASP 23 Cb 0.36 0.00 0.24 0.00 -1.03 0.00 0.00 41.12 40.70 3psr n ASP 23 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3psr n ASP 24 N 0.00 3.55 -3.88 -1.12 5.68 -1.26 -4.71 116.55 114.80 3psr n ASP 24 Ca 0.00 -3.31 -0.09 0.00 -0.50 0.00 0.00 54.79 50.90 3psr n ASP 24 Cb 0.00 -0.61 -0.08 0.00 -1.14 0.00 0.00 41.12 39.29 3psr n ASP 24 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3psr s LYS 25 N -3.00 0.79 -0.17 0.11 3.01 -1.26 -4.55 119.74 114.67 3psr s LYS 25 Ca 0.45 -0.94 -0.04 0.00 -1.01 0.00 0.00 55.97 54.43 3psr s LYS 25 Cb 0.38 0.32 -0.03 0.00 -1.01 0.00 0.00 37.83 37.49 3psr s LYS 25 CO 0.07 -0.24 -0.03 0.42 0.51 0.00 0.00 175.35 176.08 3psr s ILE 26 N -3.66 3.85 0.83 2.17 1.01 -0.61 -4.47 121.20 120.31 3psr s ILE 26 Ca 0.04 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.20 3psr s ILE 26 Cb 0.04 -2.70 0.09 0.00 0.01 0.00 0.00 42.46 39.90 3psr s ILE 26 CO -0.10 0.48 1.16 1.51 0.00 0.00 0.00 174.94 177.98 3psr s ASP 27 N 0.56 4.33 0.10 3.58 1.47 -1.26 -0.51 116.67 124.95 3psr s ASP 27 Ca -0.03 0.89 -0.27 0.00 1.18 0.00 0.00 52.55 54.32 3psr s ASP 27 Cb -0.14 -1.44 -0.11 0.00 -0.34 0.00 0.00 42.92 40.89 3psr s ASP 27 CO 0.03 -2.02 1.66 0.50 0.68 0.00 0.00 175.17 176.01 3psr h LYS 28 N -1.14 -0.41 -0.37 2.11 3.64 -1.98 -0.48 116.57 117.94 3psr h LYS 28 Ca -0.47 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 58.90 3psr h LYS 28 Cb 1.32 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.21 3psr h LYS 28 CO 0.64 -0.27 0.05 -1.00 -2.27 0.00 0.00 179.45 176.60 3psr h PRO 29 N -0.43 0.55 -0.46 1.90 0.13 -1.99 -1.12 132.00 130.58 3psr h PRO 29 Ca 0.01 -0.10 -0.08 0.00 -0.87 0.00 0.00 66.00 64.96 3psr h PRO 29 Cb 0.42 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.44 3psr h PRO 29 CO -0.08 0.54 -0.03 0.77 -0.23 0.00 0.00 178.00 178.98 3psr h SER 30 N 0.54 0.76 -0.30 1.44 0.02 -1.84 -1.89 113.55 112.27 3psr h SER 30 Ca 0.12 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.81 3psr h SER 30 Cb 0.27 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3psr h SER 30 CO 0.00 0.84 -0.07 0.25 -1.14 0.00 0.00 176.83 176.72 3psr h LEU 31 N 0.73 0.58 -1.02 5.07 5.85 0.07 -0.26 115.31 126.33 3psr h LEU 31 Ca 0.14 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.54 3psr h LEU 31 Cb 0.48 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 3psr h LEU 31 CO 0.02 0.80 0.66 -0.07 -0.34 0.00 0.00 178.44 179.52 3psr h LEU 32 N 0.35 1.09 0.02 2.25 3.38 -1.16 0.31 115.31 121.54 3psr h LEU 32 Ca 0.08 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3psr h LEU 32 Cb 0.55 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3psr h LEU 32 CO 0.03 0.74 -0.01 0.74 0.09 0.00 0.00 178.44 180.03 3psr h THR 33 N 1.26 1.09 -0.74 0.22 2.02 -1.11 -1.26 112.91 114.39 3psr h THR 33 Ca 0.40 -0.32 0.15 0.00 0.77 0.00 0.00 66.41 67.41 3psr h THR 33 Cb 0.03 1.31 -0.10 0.00 -1.74 0.00 0.00 68.15 67.64 3psr h THR 33 CO -0.13 0.08 0.26 -0.03 0.37 0.00 0.00 175.52 176.07 3psr h MET 34 N -0.16 0.38 -0.36 6.66 1.85 -0.33 -0.78 114.93 122.18 3psr h MET 34 Ca -0.00 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.06 3psr h MET 34 Cb 0.15 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.08 3psr h MET 34 CO 0.00 0.25 0.20 0.52 -0.40 0.00 0.00 176.91 177.48 3psr h MET 35 N 0.39 0.50 -0.42 0.39 2.07 -0.67 -1.72 114.93 115.47 3psr h MET 35 Ca 0.41 -0.06 -0.11 0.00 -2.07 0.00 0.00 59.70 57.87 3psr h MET 35 Cb 0.64 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 30.26 3psr h MET 35 CO -0.43 0.41 -0.16 0.87 1.07 0.00 0.00 176.91 178.67 3psr h LYS 36 N 0.46 0.85 -0.01 1.72 1.57 -0.32 0.13 116.57 120.96 3psr h LYS 36 Ca 0.13 -0.35 -0.13 0.00 -1.87 0.00 0.00 60.65 58.42 3psr h LYS 36 Cb 0.05 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3psr h LYS 36 CO -0.02 0.99 -0.61 0.93 -0.57 0.00 0.00 179.45 180.16 3psr h GLU 37 N 0.66 0.04 0.00 3.15 5.08 -1.14 -3.33 114.58 119.04 3psr h GLU 37 Ca 0.10 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3psr h GLU 37 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3psr h GLU 37 CO 0.05 0.64 -1.16 0.09 -1.00 0.00 0.00 179.01 177.63 3psr n ASN 38 N -3.82 3.16 -2.75 1.42 3.02 -0.65 -4.71 115.26 110.92 3psr n ASN 38 Ca -0.01 -0.08 -0.20 0.00 -0.03 0.00 0.00 54.58 54.26 3psr n ASN 38 Cb 0.61 1.25 -0.00 0.00 -0.61 0.00 0.00 39.78 41.03 3psr n ASN 38 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3psr n PHE 39 N -1.65 2.30 -0.07 3.10 3.72 0.45 -4.90 117.46 120.40 3psr n PHE 39 Ca -0.01 -3.33 -0.11 0.00 -0.05 0.00 0.00 57.45 53.95 3psr n PHE 39 Cb 0.15 -0.31 0.02 0.00 -0.94 0.00 0.00 39.48 38.40 3psr n PHE 39 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3psr h PRO 40 N 2.86 0.79 -0.24 -1.08 0.13 -1.70 -1.37 132.00 131.39 3psr h PRO 40 Ca 0.11 -0.43 -0.12 0.00 -0.87 0.00 0.00 66.00 64.70 3psr h PRO 40 Cb 0.92 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 3psr h PRO 40 CO 0.68 1.05 -0.30 -0.91 -0.23 0.00 0.00 178.00 178.29 3psr h ASN 41 N 0.64 0.68 -0.79 1.44 2.35 -1.92 0.30 115.58 118.27 3psr h ASN 41 Ca 0.05 -0.50 0.06 0.00 -0.55 0.00 0.00 56.30 55.36 3psr h ASN 41 Cb 0.98 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 39.11 3psr h ASN 41 CO 0.09 1.04 0.52 0.15 -1.65 0.00 0.00 177.43 177.59 3psr h PHE 42 N 0.33 0.88 0.34 1.19 3.57 -1.93 0.18 116.94 121.49 3psr h PHE 42 Ca 0.03 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 3psr h PHE 42 Cb 0.88 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.33 3psr h PHE 42 CO 0.08 0.47 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.39 3psr h LEU 43 N 0.87 -0.39 -0.68 0.59 3.38 -0.75 -1.80 115.31 116.52 3psr h LEU 43 Ca 0.34 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.23 3psr h LEU 43 Cb 0.22 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 3psr h LEU 43 CO -0.12 -0.06 0.38 0.77 0.09 0.00 0.00 178.44 179.50 3psr h SER 44 N -0.74 0.56 -0.88 -0.43 4.64 0.12 0.11 113.55 116.92 3psr h SER 44 Ca -0.05 0.03 0.15 0.00 -0.47 0.00 0.00 61.79 61.45 3psr h SER 44 Cb 0.50 -0.08 -0.09 0.00 -0.31 0.00 0.00 62.40 62.42 3psr h SER 44 CO 0.08 0.36 0.48 0.00 -0.87 0.00 0.00 176.83 176.87 3psr h ALA 45 N 1.36 1.35 -0.21 5.18 0.00 -0.61 0.34 119.26 126.66 3psr h ALA 45 Ca 0.31 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 3psr h ALA 45 Cb 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3psr h ALA 45 CO -0.19 -0.05 0.05 0.00 0.00 0.00 0.00 179.25 179.06 3psr h ASP 47 N 0.16 1.07 -0.76 0.00 3.32 0.11 0.17 116.42 120.49 3psr h ASP 47 Ca 0.07 -0.22 0.07 0.00 0.02 0.00 0.00 57.03 56.97 3psr h ASP 47 Cb 0.28 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 3psr h ASP 47 CO 0.00 1.02 0.50 0.11 -1.72 0.00 0.00 179.24 179.15 3psr h LYS 48 N 1.08 0.76 0.00 3.56 1.57 -0.35 0.79 116.57 123.98 3psr h LYS 48 Ca 0.23 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3psr h LYS 48 Cb 0.34 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3psr h LYS 48 CO -0.00 0.50 0.00 1.17 -0.57 0.00 0.00 179.45 180.55 3psr n LYS 49 N -4.49 0.33 -0.48 3.15 4.81 -0.74 -4.86 118.16 115.89 3psr n LYS 49 Ca 0.12 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 3psr n LYS 49 Cb 0.25 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.80 3psr n LYS 49 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3psr n GLY 50 N 0.93 0.71 3.28 3.14 0.00 0.28 -5.07 105.19 108.45 3psr n GLY 50 Ca 0.12 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 3psr n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3psr s THR 51 N -2.00 2.86 -0.65 2.61 2.01 0.52 -4.97 115.64 116.02 3psr s THR 51 Ca 0.00 -0.69 -0.16 0.00 0.31 0.00 0.00 61.69 61.15 3psr s THR 51 Cb 0.00 -2.24 0.15 0.00 0.01 0.00 0.00 72.50 70.42 3psr s THR 51 CO 0.00 0.49 0.65 0.21 -0.69 0.00 0.00 174.62 175.28 3psr s ASN 52 N 1.01 6.38 0.31 3.53 3.84 -1.26 -2.51 114.94 126.23 3psr s ASN 52 Ca -0.01 -2.00 0.06 0.00 0.21 0.00 0.00 52.86 51.12 3psr s ASN 52 Cb -0.15 -2.24 0.72 0.00 -0.55 0.00 0.00 41.25 39.04 3psr s ASN 52 CO -0.02 -0.83 1.81 0.22 -2.79 0.00 0.00 177.10 175.48 3psr h TYR 53 N 8.62 1.03 0.00 0.43 3.20 -1.91 -2.27 116.97 126.07 3psr h TYR 53 Ca -0.16 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.73 3psr h TYR 53 Cb 1.08 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 39.03 3psr h TYR 53 CO 0.86 0.29 -0.06 -0.07 -1.64 0.00 0.00 178.16 177.54 3psr h LEU 54 N 0.80 0.00 -1.08 2.82 3.38 -1.99 -3.08 115.31 116.16 3psr h LEU 54 Ca 0.54 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.72 3psr h LEU 54 Cb 0.80 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.44 3psr h LEU 54 CO -0.32 0.06 0.61 0.00 0.09 0.00 0.00 178.44 178.88 3psr h ALA 55 N 1.94 1.78 0.00 1.53 0.00 -1.84 -3.28 119.26 119.39 3psr h ALA 55 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3psr h ALA 55 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3psr h ALA 55 CO 0.01 -0.17 0.00 -0.40 0.00 0.00 0.00 179.25 178.69 3psr n ASP 56 N -4.75 0.00 -0.17 0.00 5.75 -1.20 -4.86 116.55 111.32 3psr n ASP 56 Ca 0.24 -1.00 -0.04 0.00 -0.01 0.00 0.00 54.79 53.98 3psr n ASP 56 Cb 0.63 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.75 3psr n ASP 56 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 3psr h VAL 57 N 2.61 0.34 -0.22 2.12 3.04 -1.60 0.88 116.25 123.42 3psr h VAL 57 Ca 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.72 3psr h VAL 57 Cb 0.90 0.34 -0.03 0.00 -2.01 0.00 0.00 31.29 30.50 3psr h VAL 57 CO 0.00 0.00 0.04 0.15 -1.01 0.00 0.00 177.57 176.75 3psr h PHE 58 N -0.09 0.06 -0.47 3.17 3.57 -1.89 -0.76 116.94 120.54 3psr h PHE 58 Ca 0.24 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 3psr h PHE 58 Cb 0.47 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 3psr h PHE 58 CO -0.51 0.01 0.16 0.93 -2.23 0.00 0.00 178.31 176.68 3psr h GLU 59 N 0.12 0.72 -0.59 1.11 3.07 -1.50 -0.14 114.58 117.37 3psr h GLU 59 Ca 0.10 -0.14 0.06 0.00 -0.50 0.00 0.00 59.36 58.87 3psr h GLU 59 Cb 0.10 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 27.87 3psr h GLU 59 CO -0.14 0.67 0.39 0.87 -1.40 0.00 0.00 179.01 179.40 3psr h LYS 60 N 0.62 0.57 0.00 2.33 1.57 0.12 -3.20 116.57 118.57 3psr h LYS 60 Ca 0.15 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3psr h LYS 60 Cb 0.24 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3psr h LYS 60 CO -0.01 0.37 -1.49 1.63 -0.57 0.00 0.00 179.45 179.39 3psr n LYS 61 N -4.47 0.44 -1.65 3.15 4.76 -0.33 -4.51 118.16 115.54 3psr n LYS 61 Ca 0.08 -0.10 -0.41 0.00 -2.87 0.00 0.00 58.31 55.01 3psr n LYS 61 Cb 0.22 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 31.91 3psr n LYS 61 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3psr n ASP 62 N -1.87 5.51 -0.34 4.39 2.03 -0.13 -4.74 116.55 121.40 3psr n ASP 62 Ca -0.00 -2.78 0.20 0.00 0.52 0.00 0.00 54.79 52.73 3psr n ASP 62 Cb 0.44 -1.61 0.44 0.00 -0.72 0.00 0.00 41.12 39.67 3psr n ASP 62 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3psr h LYS 63 N 5.65 0.47 -0.66 -0.67 3.64 -1.84 0.48 116.57 123.65 3psr h LYS 63 Ca 0.66 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 60.01 3psr h LYS 63 Cb 0.52 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3psr h LYS 63 CO 1.83 0.31 0.00 0.27 -2.27 0.00 0.00 179.45 179.60 3psr n ASN 64 N -4.82 4.24 -2.96 4.20 6.94 -1.26 -4.93 115.26 116.67 3psr n ASN 64 Ca 0.27 -2.31 -0.16 0.00 -0.02 0.00 0.00 54.58 52.36 3psr n ASN 64 Cb 0.83 -0.53 -0.01 0.00 -2.36 0.00 0.00 39.78 37.71 3psr n ASN 64 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3psr n GLU 65 N 1.15 -2.83 -0.12 -3.83 1.02 0.17 -4.79 120.64 111.42 3psr n GLU 65 Ca 0.24 0.42 0.05 0.00 -0.02 0.00 0.00 57.16 57.85 3psr n GLU 65 Cb 0.77 -5.05 0.17 0.00 -0.02 0.00 0.00 31.44 27.31 3psr n GLU 65 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3psr n ASP 66 N -2.00 1.33 -3.82 1.62 5.75 -1.26 -4.86 116.55 113.30 3psr n ASP 66 Ca -0.05 -1.93 -0.28 0.00 -0.01 0.00 0.00 54.79 52.52 3psr n ASP 66 Cb 0.55 -0.15 0.04 0.00 -1.03 0.00 0.00 41.12 40.53 3psr n ASP 66 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3psr n LYS 67 N 0.20 -6.24 -3.74 0.11 4.76 -1.26 -4.98 118.16 107.01 3psr n LYS 67 Ca 0.10 0.67 -0.13 0.00 -2.87 0.00 0.00 58.31 56.08 3psr n LYS 67 Cb 0.22 -5.61 -0.08 0.00 -1.84 0.00 0.00 35.03 27.72 3psr n LYS 67 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3psr s LYS 68 N -6.53 0.76 -0.37 1.97 -0.14 -1.26 -4.56 119.74 109.60 3psr s LYS 68 Ca 0.64 -0.32 -0.08 0.00 -1.36 0.00 0.00 55.97 54.85 3psr s LYS 68 Cb -0.31 0.33 0.05 0.00 -1.68 0.00 0.00 37.83 36.22 3psr s LYS 68 CO 0.80 -0.23 0.18 0.42 -0.76 0.00 0.00 175.35 175.75 3psr s ILE 69 N -1.92 4.10 0.79 2.17 -1.09 0.34 -4.81 121.20 120.78 3psr s ILE 69 Ca -0.09 -1.16 -0.10 0.00 -2.23 0.00 0.00 60.65 57.07 3psr s ILE 69 Cb -0.03 -3.38 0.10 0.00 -1.58 0.00 0.00 42.46 37.57 3psr s ILE 69 CO 0.01 -0.30 1.12 1.51 -1.23 0.00 0.00 174.94 176.05 3psr s ASP 70 N 1.65 4.36 0.37 3.58 1.47 -1.26 -1.57 116.67 125.27 3psr s ASP 70 Ca 0.01 0.47 0.12 0.00 1.18 0.00 0.00 52.55 54.32 3psr s ASP 70 Cb -0.20 -0.93 0.91 0.00 -0.34 0.00 0.00 42.92 42.35 3psr s ASP 70 CO 0.03 -1.93 1.84 0.15 0.68 0.00 0.00 175.17 175.95 3psr h PHE 71 N -0.94 0.76 -0.31 2.11 3.57 -1.99 -0.54 116.94 119.60 3psr h PHE 71 Ca -0.44 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.00 3psr h PHE 71 Cb 1.30 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 3psr h PHE 71 CO 0.01 0.22 -0.13 0.66 -2.23 0.00 0.00 178.31 176.84 3psr h SER 72 N 0.59 0.65 -0.62 0.41 4.64 -1.99 -1.14 113.55 116.08 3psr h SER 72 Ca 0.49 -0.40 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 3psr h SER 72 Cb 0.95 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.83 3psr h SER 72 CO -0.23 0.90 0.31 -0.33 -0.87 0.00 0.00 176.83 176.61 3psr h GLU 73 N 0.39 0.92 0.26 4.77 5.08 -1.47 -2.27 114.58 122.27 3psr h GLU 73 Ca 0.07 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3psr h GLU 73 Cb 0.65 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3psr h GLU 73 CO 0.04 0.72 -0.25 0.35 -1.00 0.00 0.00 179.01 178.87 3psr h PHE 74 N 0.92 -0.67 -0.90 4.33 3.57 -1.01 -1.72 116.94 121.45 3psr h PHE 74 Ca 0.23 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.89 3psr h PHE 74 Cb 0.10 0.26 -0.07 0.00 2.79 0.00 0.00 35.95 39.03 3psr h PHE 74 CO 0.01 -0.37 0.58 -0.07 -2.23 0.00 0.00 178.31 176.23 3psr h LEU 75 N -0.54 0.61 -0.50 0.59 3.38 -0.89 0.50 115.31 118.46 3psr h LEU 75 Ca -0.01 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3psr h LEU 75 Cb 0.50 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3psr h LEU 75 CO -0.05 0.29 0.11 -1.28 0.09 0.00 0.00 178.44 177.59 3psr h SER 76 N 0.64 0.77 0.04 -0.43 0.87 -0.82 0.12 113.55 114.74 3psr h SER 76 Ca 0.46 -0.24 0.03 0.00 -1.23 0.00 0.00 61.79 60.81 3psr h SER 76 Cb 0.83 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.54 3psr h SER 76 CO -0.21 0.82 -0.28 0.25 -0.53 0.00 0.00 176.83 176.87 3psr h LEU 77 N 0.70 -0.83 -2.24 2.23 5.85 -0.09 -0.45 115.31 120.47 3psr h LEU 77 Ca 0.16 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 3psr h LEU 77 Cb 0.36 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 3psr h LEU 77 CO 0.00 -0.36 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.67 3psr h LEU 78 N -0.45 0.00 -0.08 2.25 3.38 -1.02 -0.43 115.31 118.95 3psr h LEU 78 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3psr h LEU 78 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3psr h LEU 78 CO -0.22 0.01 0.04 1.23 0.09 0.00 0.00 178.44 179.59 3psr h GLY 79 N 0.04 0.13 0.69 0.83 0.00 0.61 0.11 103.07 105.49 3psr h GLY 79 Ca -0.00 -0.07 0.10 0.00 0.00 0.00 0.00 47.33 47.37 3psr h GLY 79 CO 0.00 0.06 0.57 -0.55 0.00 0.00 0.00 176.54 176.63 3psr h ASP 80 N 0.01 0.78 0.25 0.19 3.32 0.02 0.28 116.42 121.26 3psr h ASP 80 Ca 0.03 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3psr h ASP 80 Cb 0.13 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3psr h ASP 80 CO -0.00 0.45 -0.12 0.40 -1.72 0.00 0.00 179.24 178.25 3psr h ILE 81 N 0.86 0.71 -0.79 0.35 2.04 -1.14 -1.63 117.51 117.91 3psr h ILE 81 Ca 0.42 -0.86 0.19 0.00 1.00 0.00 0.00 64.86 65.61 3psr h ILE 81 Cb 0.45 1.13 -0.12 0.00 -0.74 0.00 0.00 36.82 37.53 3psr h ILE 81 CO -0.18 0.16 0.17 0.00 0.00 0.00 0.00 178.15 178.30 3psr h ALA 82 N -0.33 1.04 -0.78 1.87 0.00 -0.32 0.51 119.26 121.25 3psr h ALA 82 Ca -0.03 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3psr h ALA 82 Cb 0.51 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3psr h ALA 82 CO 0.06 -0.39 0.46 1.15 0.00 0.00 0.00 179.25 180.52 3psr h THR 83 N 0.22 1.22 -0.27 0.00 2.02 -0.43 0.14 112.91 115.82 3psr h THR 83 Ca 0.46 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 3psr h THR 83 Cb 0.85 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3psr h THR 83 CO -0.59 0.23 -0.00 -0.78 0.37 0.00 0.00 175.52 174.75 3psr h ASP 84 N 1.07 0.46 0.28 4.18 3.58 0.97 -2.65 116.42 124.31 3psr h ASP 84 Ca 0.28 -0.31 -0.05 0.00 0.42 0.00 0.00 57.03 57.37 3psr h ASP 84 Cb -0.03 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 3psr h ASP 84 CO -0.05 0.66 -0.23 1.88 -2.88 0.00 0.00 179.24 178.62 3psr h TYR 85 N 0.25 0.00 0.13 0.28 -1.99 -0.61 -1.88 116.97 113.15 3psr h TYR 85 Ca 0.08 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.80 3psr h TYR 85 Cb 0.42 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.15 3psr h TYR 85 CO 0.04 0.23 -0.08 1.25 -0.00 0.00 0.00 178.16 179.60 3psr h HIS 86 N 0.00 -0.22 -0.87 4.88 2.76 -0.40 -2.52 115.15 118.78 3psr h HIS 86 Ca -0.00 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.20 3psr h HIS 86 Cb 0.44 0.08 -0.05 0.00 1.55 0.00 0.00 27.41 29.42 3psr h HIS 86 CO 0.00 -0.13 0.57 0.87 -1.30 0.00 0.00 177.93 177.94 3psr h LYS 87 N -0.21 1.05 -0.80 5.26 1.57 -1.14 -1.15 116.57 121.15 3psr h LYS 87 Ca -0.01 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.76 3psr h LYS 87 Cb 0.18 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.20 3psr h LYS 87 CO 0.01 0.70 0.52 1.96 -0.57 0.00 0.00 179.45 182.07 3psr h GLN 88 N 1.08 0.87 0.00 3.15 4.20 -0.97 0.26 115.11 123.70 3psr h GLN 88 Ca 0.35 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.01 3psr h GLN 88 Cb 0.04 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.62 3psr h GLN 88 CO -0.11 0.58 0.00 0.66 -0.67 0.00 0.00 178.83 179.29 3psr h SER 89 N 0.90 0.00 -0.50 1.46 4.64 -0.80 0.49 113.55 119.74 3psr h SER 89 Ca 0.34 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.61 3psr h SER 89 Cb 0.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 3psr h SER 89 CO -0.12 0.00 0.05 1.41 -0.87 0.00 0.00 176.83 177.31 3psr n HIS 90 N -2.65 1.77 0.00 4.77 8.25 0.88 -4.97 115.22 123.27 3psr n HIS 90 Ca -0.01 -0.91 0.00 0.00 -0.26 0.00 0.00 57.72 56.54 3psr n HIS 90 Cb 0.13 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 30.75 3psr n HIS 90 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3psr n GLY 91 N 0.03 2.56 1.44 -1.41 0.00 0.16 -5.07 105.19 102.90 3psr n GLY 91 Ca 0.29 -0.71 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 3psr n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3psr n ALA 92 N 0.00 -3.80 -2.23 4.61 0.00 -1.21 -4.79 120.51 113.10 3psr n ALA 92 Ca 0.00 -0.30 -0.33 0.00 0.00 0.00 0.00 53.44 52.81 3psr n ALA 92 Cb 0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 19.45 18.84 3psr n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3psr s ALA 93 N -0.95 3.41 0.74 0.00 0.00 -1.26 -4.17 121.76 119.53 3psr s ALA 93 Ca 0.20 -0.05 -0.15 0.00 0.00 0.00 0.00 51.96 51.95 3psr s ALA 93 Cb -0.10 -2.66 0.02 0.00 0.00 0.00 0.00 23.12 20.38 3psr s ALA 93 CO 0.39 0.39 1.00 -2.30 0.00 0.00 0.00 175.76 175.24 3psr n PRO 94 N -0.17 0.44 -3.33 0.00 -0.02 -1.26 -3.98 135.00 126.68 3psr n PRO 94 Ca 0.02 0.21 -0.23 0.00 -2.02 0.00 0.00 63.50 61.48 3psr n PRO 94 Cb 0.53 -2.26 0.02 0.00 -0.02 0.00 0.00 33.50 31.77 3psr n PRO 94 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48