#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w53 h ASP 2 N 0.00 0.55 -0.25 7.83 3.32 -2.06 -1.65 116.42 124.15 1w53 h ASP 2 Ca 0.00 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 56.86 1w53 h ASP 2 Cb 0.00 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1w53 h ASP 2 CO 0.00 0.58 -0.18 0.15 -1.72 0.00 0.00 179.24 178.07 1w53 h PHE 3 N 0.58 0.78 -0.79 4.55 3.57 -2.04 -2.18 116.94 121.41 1w53 h PHE 3 Ca 0.13 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1w53 h PHE 3 Cb 0.28 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 1w53 h PHE 3 CO 0.01 0.83 0.46 -0.09 -2.23 0.00 0.00 178.31 177.29 1w53 h ARG 4 N 0.62 1.08 -0.40 1.11 9.65 -1.75 -0.65 114.38 124.05 1w53 h ARG 4 Ca 0.10 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1w53 h ARG 4 Cb 0.65 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.99 1w53 h ARG 4 CO 0.05 0.78 0.26 1.49 2.80 0.00 0.00 179.97 185.34 1w53 h GLU 5 N 1.08 0.52 -0.62 0.20 4.81 -0.95 -0.36 114.58 119.25 1w53 h GLU 5 Ca 0.28 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1w53 h GLU 5 Cb -0.01 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1w53 h GLU 5 CO -0.05 0.34 0.31 -0.39 -0.73 0.00 0.00 179.01 178.49 1w53 h VAL 6 N 0.53 1.21 0.00 0.32 -1.51 -1.00 -1.21 116.25 114.60 1w53 h VAL 6 Ca 0.15 -0.60 -0.10 0.00 -1.23 0.00 0.00 66.70 64.92 1w53 h VAL 6 Cb -0.06 0.46 -0.01 0.00 -2.13 0.00 0.00 31.29 29.54 1w53 h VAL 6 CO -0.03 0.25 -0.48 0.16 -1.23 0.00 0.00 177.57 176.23 1w53 h ILE 7 N 0.86 0.97 -0.22 7.19 3.07 -0.98 -1.91 117.51 126.48 1w53 h ILE 7 Ca 0.22 -1.96 -0.04 0.00 1.55 0.00 0.00 64.86 64.63 1w53 h ILE 7 Cb 0.11 2.19 -0.01 0.00 -0.27 0.00 0.00 36.82 38.85 1w53 h ILE 7 CO -0.03 0.47 -0.03 -0.08 -1.05 0.00 0.00 178.15 177.44 1w53 h GLU 8 N 0.00 0.41 -0.70 0.16 4.81 -0.82 0.68 114.58 119.13 1w53 h GLU 8 Ca -0.00 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.04 1w53 h GLU 8 Cb 1.15 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 1w53 h GLU 8 CO 0.06 0.63 0.29 1.96 -0.73 0.00 0.00 179.01 181.21 1w53 h GLN 9 N 0.16 1.04 -0.46 1.92 4.20 -1.08 0.19 115.11 121.08 1w53 h GLN 9 Ca 0.06 -0.18 -0.10 0.00 0.06 0.00 0.00 58.65 58.48 1w53 h GLN 9 Cb 0.46 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1w53 h GLN 9 CO 0.02 0.86 -0.10 -0.09 -0.67 0.00 0.00 178.83 178.84 1w53 h ARG 10 N 0.99 0.89 -0.64 1.46 9.65 -1.28 -1.87 114.38 123.59 1w53 h ARG 10 Ca 0.23 -0.34 -0.06 0.00 -1.10 0.00 0.00 59.98 58.72 1w53 h ARG 10 Cb 0.20 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.70 1w53 h ARG 10 CO -0.02 0.98 0.18 -0.92 2.80 0.00 0.00 179.97 182.99 1w53 h TYR 11 N 0.73 1.05 -0.54 2.20 5.03 -0.50 0.95 116.97 125.90 1w53 h TYR 11 Ca 0.12 -0.12 0.06 0.00 2.58 0.00 0.00 58.73 61.37 1w53 h TYR 11 Cb 0.65 -0.30 -0.05 0.00 1.55 0.00 0.00 36.73 38.58 1w53 h TYR 11 CO 0.05 0.87 0.25 1.25 -1.32 0.00 0.00 178.16 179.26 1w53 h HIS 12 N 0.93 0.46 -0.19 -3.82 2.76 -0.70 0.20 115.15 114.79 1w53 h HIS 12 Ca 0.20 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.36 1w53 h HIS 12 Cb 0.33 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 1w53 h HIS 12 CO 0.02 0.20 -0.02 0.37 -1.30 0.00 0.00 177.93 177.21 1w53 h GLN 13 N 0.49 0.34 -0.19 5.26 4.15 -0.77 -2.19 115.11 122.20 1w53 h GLN 13 Ca 0.25 -0.12 -0.12 0.00 0.77 0.00 0.00 58.65 59.43 1w53 h GLN 13 Cb 0.19 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1w53 h GLN 13 CO -0.19 0.57 -0.36 -0.07 -1.93 0.00 0.00 178.83 176.85 1w53 h LEU 14 N 0.08 0.64 -0.05 -2.39 3.38 -0.52 -1.67 115.31 114.78 1w53 h LEU 14 Ca 0.05 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 1w53 h LEU 14 Cb 0.43 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1w53 h LEU 14 CO 0.01 1.07 0.01 0.25 0.09 0.00 0.00 178.44 179.87 1w53 h LEU 15 N 0.24 0.08 -0.89 1.67 5.85 -0.67 -1.05 115.31 120.54 1w53 h LEU 15 Ca 0.01 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.55 1w53 h LEU 15 Cb 0.96 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.91 1w53 h LEU 15 CO 0.08 0.28 0.57 -1.28 -0.34 0.00 0.00 178.44 177.75 1w53 h SER 16 N -0.12 0.93 -0.59 1.25 0.87 -1.41 -1.15 113.55 113.32 1w53 h SER 16 Ca 0.02 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 1w53 h SER 16 Cb 0.23 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 1w53 h SER 16 CO -0.00 0.62 0.24 -0.09 -0.53 0.00 0.00 176.83 177.07 1w53 h ARG 17 N 1.08 0.88 -0.16 2.24 2.43 -1.15 -1.59 114.38 118.11 1w53 h ARG 17 Ca 0.37 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1w53 h ARG 17 Cb 0.06 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1w53 h ARG 17 CO -0.14 0.75 0.04 -0.92 -1.51 0.00 0.00 179.97 178.19 1w53 h TYR 18 N 0.82 0.26 -0.91 2.20 5.03 -0.72 0.45 116.97 124.10 1w53 h TYR 18 Ca 0.20 -0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.51 1w53 h TYR 18 Cb 0.19 -0.07 -0.05 0.00 1.55 0.00 0.00 36.73 38.35 1w53 h TYR 18 CO 0.01 0.39 0.60 0.82 -1.32 0.00 0.00 178.16 178.66 1w53 h ILE 19 N 0.05 1.16 -0.07 1.81 2.04 -1.16 0.22 117.51 121.56 1w53 h ILE 19 Ca 0.05 -0.39 -0.20 0.00 1.00 0.00 0.00 64.86 65.32 1w53 h ILE 19 Cb 0.27 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1w53 h ILE 19 CO 0.00 0.21 -0.78 0.00 0.00 0.00 0.00 178.15 177.58 1w53 h ALA 20 N 1.47 0.52 0.00 1.87 0.00 -0.91 -3.40 119.26 118.80 1w53 h ALA 20 Ca 0.36 -0.63 -0.32 0.00 0.00 0.00 0.00 54.91 54.32 1w53 h ALA 20 Cb 0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1w53 h ALA 20 CO -0.11 0.76 -2.17 0.39 0.00 0.00 0.00 179.25 178.13 1w53 n GLU 21 N -3.83 0.49 -3.28 0.00 -0.58 0.12 -5.02 120.64 108.53 1w53 n GLU 21 Ca -0.05 0.14 -0.24 0.00 -0.42 0.00 0.00 57.16 56.60 1w53 n GLU 21 Cb 0.74 -1.36 0.05 0.00 -0.57 0.00 0.00 31.44 30.29 1w53 n GLU 21 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1w53 n LEU 22 N -3.35 -2.83 -4.97 -4.62 4.77 0.75 -4.99 117.00 101.76 1w53 n LEU 22 Ca -0.38 -0.41 -0.19 0.00 -0.03 0.00 0.00 56.01 55.00 1w53 n LEU 22 Cb 0.86 -2.92 -0.01 0.00 -2.33 0.00 0.00 43.42 39.02 1w53 n LEU 22 CO 0.15 0.38 0.04 0.42 -1.33 0.00 0.00 177.39 177.05 1w53 s THR 23 N -3.22 3.85 0.34 -5.08 -4.23 -1.26 -5.01 115.64 101.03 1w53 s THR 23 Ca 0.42 -1.07 0.06 0.00 -1.18 0.00 0.00 61.69 59.93 1w53 s THR 23 Cb -0.19 -3.32 0.13 0.00 1.34 0.00 0.00 72.50 70.45 1w53 s THR 23 CO 0.52 -0.14 1.84 -0.08 -0.54 0.00 0.00 174.62 176.23 1w53 h GLU 24 N 0.94 0.38 -0.40 3.99 4.81 -1.98 -0.93 114.58 121.39 1w53 h GLU 24 Ca -0.45 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 58.63 1w53 h GLU 24 Cb 1.26 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1w53 h GLU 24 CO 0.53 0.52 0.06 1.15 -0.73 0.00 0.00 179.01 180.54 1w53 h THR 25 N 0.36 1.24 -0.26 0.32 2.02 -1.99 0.20 112.91 114.80 1w53 h THR 25 Ca 0.07 -0.89 -0.16 0.00 0.77 0.00 0.00 66.41 66.20 1w53 h THR 25 Cb 0.46 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1w53 h THR 25 CO 0.03 0.30 -0.47 0.77 0.37 0.00 0.00 175.52 176.52 1w53 h SER 26 N 0.52 0.75 0.22 4.18 4.64 -1.89 -2.86 113.55 119.11 1w53 h SER 26 Ca 0.12 -0.37 -0.14 0.00 -0.47 0.00 0.00 61.79 60.93 1w53 h SER 26 Cb 0.38 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1w53 h SER 26 CO 0.01 1.10 -0.54 0.25 -0.87 0.00 0.00 176.83 176.78 1w53 h LEU 27 N 0.55 0.39 -2.03 5.97 5.85 -0.83 -2.68 115.31 122.52 1w53 h LEU 27 Ca 0.03 -0.20 0.09 0.00 0.84 0.00 0.00 57.88 58.63 1w53 h LEU 27 Cb 1.02 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1w53 h LEU 27 CO 0.10 0.85 0.22 0.22 -0.34 0.00 0.00 178.44 179.49 1w53 h TYR 28 N 0.27 0.00 -0.05 1.25 -0.00 -0.38 -2.04 116.97 116.02 1w53 h TYR 28 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.70 1w53 h TYR 28 Cb 1.04 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.76 1w53 h TYR 28 CO 0.03 0.00 -0.12 1.96 -0.00 0.00 0.00 178.16 180.03 1w53 h GLN 29 N 0.00 0.08 -0.96 1.82 1.08 -1.35 -0.90 115.11 114.88 1w53 h GLN 29 Ca 0.14 -0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.43 1w53 h GLN 29 Cb 0.59 -0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.93 1w53 h GLN 29 CO -0.00 0.20 0.61 0.00 -0.95 0.00 0.00 178.83 178.69 1w53 h ALA 30 N 1.81 1.56 -0.29 3.87 0.00 -1.50 -0.26 119.26 124.45 1w53 h ALA 30 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1w53 h ALA 30 Cb 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1w53 h ALA 30 CO 0.02 0.24 -0.06 1.96 0.00 0.00 0.00 179.25 181.41 1w53 h GLN 31 N 0.97 0.54 -0.65 0.00 4.20 -1.30 -0.62 115.11 118.25 1w53 h GLN 31 Ca 0.45 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.92 1w53 h GLN 31 Cb 0.41 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 1w53 h GLN 31 CO -0.21 0.74 0.26 0.87 -0.67 0.00 0.00 178.83 179.82 1w53 h LYS 32 N 0.31 0.97 0.05 1.46 1.57 -1.44 -2.49 116.57 117.00 1w53 h LYS 32 Ca 0.07 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1w53 h LYS 32 Cb 0.53 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1w53 h LYS 32 CO 0.03 0.82 -0.03 0.35 -0.57 0.00 0.00 179.45 180.04 1w53 h PHE 33 N 0.92 -0.08 -0.90 -1.35 3.57 -0.86 -2.75 116.94 115.49 1w53 h PHE 33 Ca 0.22 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.74 1w53 h PHE 33 Cb 0.21 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 1w53 h PHE 33 CO 0.01 -0.05 0.59 0.66 -2.23 0.00 0.00 178.31 177.29 1w53 h SER 34 N -0.08 1.00 -0.43 0.41 4.64 -1.01 -0.56 113.55 117.51 1w53 h SER 34 Ca -0.00 -0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.34 1w53 h SER 34 Cb 0.07 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 61.88 1w53 h SER 34 CO 0.00 0.70 0.19 0.03 -0.87 0.00 0.00 176.83 176.88 1w53 h ARG 35 N 1.16 0.37 0.21 4.77 3.08 -1.34 -0.62 114.38 122.01 1w53 h ARG 35 Ca 0.34 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 1w53 h ARG 35 Cb -0.05 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1w53 h ARG 35 CO -0.09 0.24 -0.10 -0.22 -1.07 0.00 0.00 179.97 178.73 1w53 h LYS 36 N 0.38 -0.27 -0.81 0.04 3.64 -1.04 -1.68 116.57 116.82 1w53 h LYS 36 Ca 0.20 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 1w53 h LYS 36 Cb 0.15 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1w53 h LYS 36 CO -0.17 -0.16 0.34 1.79 -2.27 0.00 0.00 179.45 178.97 1w53 h THR 37 N -0.31 1.26 -0.51 1.00 1.35 -0.94 -2.51 112.91 112.25 1w53 h THR 37 Ca -0.03 -0.81 -0.12 0.00 -0.55 0.00 0.00 66.41 64.90 1w53 h THR 37 Cb 0.24 0.28 -0.02 0.00 -1.73 0.00 0.00 68.15 66.92 1w53 h THR 37 CO 0.05 0.34 -0.14 0.40 -0.25 0.00 0.00 175.52 175.92 1w53 h ILE 38 N 1.18 1.27 0.00 6.82 2.04 -1.03 -1.36 117.51 126.42 1w53 h ILE 38 Ca 0.27 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1w53 h ILE 38 Cb 0.20 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1w53 h ILE 38 CO -0.02 0.45 0.00 -0.33 0.00 0.00 0.00 178.15 178.25 1w53 h GLU 39 N 0.87 0.00 -0.43 2.37 5.08 -1.00 -2.34 114.58 119.13 1w53 h GLU 39 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1w53 h GLU 39 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1w53 h GLU 39 CO 0.05 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.78 1w53 n HIS 40 N -2.48 1.29 -3.07 4.33 8.25 -0.74 -4.97 115.22 117.83 1w53 n HIS 40 Ca 0.01 -0.74 -0.23 0.00 -0.26 0.00 0.00 57.72 56.50 1w53 n HIS 40 Cb 0.20 -0.32 0.03 0.00 1.12 0.00 0.00 29.99 31.03 1w53 n HIS 40 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1w53 n GLN 41 N 0.23 -4.73 -2.75 -0.41 6.02 -0.88 -4.97 117.38 109.89 1w53 n GLN 41 Ca 0.23 0.86 -0.42 0.00 -0.01 0.00 0.00 57.00 57.65 1w53 n GLN 41 Cb 0.92 -5.70 -0.03 0.00 1.02 0.00 0.00 30.24 26.44 1w53 n GLN 41 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1w53 s ILE 42 N -3.15 4.76 0.62 5.09 -1.09 -0.59 -5.04 121.20 121.80 1w53 s ILE 42 Ca 0.32 1.87 -0.09 0.00 -2.23 0.00 0.00 60.65 60.51 1w53 s ILE 42 Cb -0.14 -4.24 -0.02 0.00 -1.58 0.00 0.00 42.46 36.48 1w53 s ILE 42 CO 0.39 -0.10 0.99 -2.16 -1.23 0.00 0.00 174.94 172.83 1w53 s PRO 43 N 2.83 3.27 0.46 2.79 0.04 -1.26 -4.60 135.00 138.53 1w53 s PRO 43 Ca 0.42 0.46 0.11 0.00 0.04 0.00 0.00 61.00 62.03 1w53 s PRO 43 Cb -0.16 -2.14 1.05 0.00 0.04 0.00 0.00 34.50 33.29 1w53 s PRO 43 CO 0.09 -0.67 2.09 -1.00 0.04 0.00 0.00 177.00 177.55 1w53 h PRO 44 N -0.31 0.26 -0.13 0.56 0.13 -1.95 -1.65 132.00 128.92 1w53 h PRO 44 Ca -0.45 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1w53 h PRO 44 Cb 1.22 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1w53 h PRO 44 CO 0.62 0.19 -0.12 1.05 -0.23 0.00 0.00 178.00 179.51 1w53 h GLU 45 N 0.27 0.20 -0.52 0.86 9.09 -1.88 -1.90 114.58 120.71 1w53 h GLU 45 Ca 0.07 -0.04 -0.12 0.00 0.05 0.00 0.00 59.36 59.32 1w53 h GLU 45 Cb -0.00 -0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.05 1w53 h GLU 45 CO -0.01 0.33 -0.14 0.93 0.05 0.00 0.00 179.01 180.17 1w53 h GLU 46 N 0.19 1.00 -0.81 1.06 5.08 -1.67 -2.00 114.58 117.44 1w53 h GLU 46 Ca 0.04 -0.39 -0.04 0.00 -1.00 0.00 0.00 59.36 57.98 1w53 h GLU 46 Cb 0.34 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1w53 h GLU 46 CO 0.02 1.07 0.37 0.82 -1.00 0.00 0.00 179.01 180.28 1w53 h ILE 47 N 0.88 1.26 -0.46 3.13 1.08 -1.21 -0.81 117.51 121.39 1w53 h ILE 47 Ca 0.13 -0.75 -0.12 0.00 -0.39 0.00 0.00 64.86 63.73 1w53 h ILE 47 Cb 0.71 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 1w53 h ILE 47 CO 0.05 0.32 -0.20 0.40 -0.69 0.00 0.00 178.15 178.03 1w53 h ILE 48 N 1.15 1.27 -0.33 -0.67 1.08 -1.30 -1.39 117.51 117.32 1w53 h ILE 48 Ca 0.27 -1.35 0.03 0.00 -0.39 0.00 0.00 64.86 63.43 1w53 h ILE 48 Cb 0.15 1.13 -0.03 0.00 -3.07 0.00 0.00 36.82 35.00 1w53 h ILE 48 CO -0.03 0.46 0.13 0.28 -0.69 0.00 0.00 178.15 178.30 1w53 h SER 49 N 0.80 0.16 -0.61 1.72 0.02 -1.01 -0.72 113.55 113.91 1w53 h SER 49 Ca 0.11 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1w53 h SER 49 Cb 0.75 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.26 1w53 h SER 49 CO 0.06 0.13 0.38 0.40 -1.14 0.00 0.00 176.83 176.66 1w53 h ILE 50 N 0.28 1.09 -0.72 3.27 2.04 -0.89 -1.79 117.51 120.79 1w53 h ILE 50 Ca 0.14 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1w53 h ILE 50 Cb 0.10 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 1w53 h ILE 50 CO -0.13 0.14 0.29 -0.74 0.00 0.00 0.00 178.15 177.70 1w53 h HIS 51 N 0.76 1.09 -0.31 1.37 2.76 -0.79 -0.89 115.15 119.15 1w53 h HIS 51 Ca 0.24 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 1w53 h HIS 51 Cb -0.01 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.61 1w53 h HIS 51 CO -0.05 0.84 0.14 -0.09 -1.30 0.00 0.00 177.93 177.47 1w53 h ARG 52 N 1.03 0.45 -0.03 5.26 2.43 -0.80 0.12 114.38 122.84 1w53 h ARG 52 Ca 0.24 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1w53 h ARG 52 Cb 0.21 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1w53 h ARG 52 CO -0.02 0.44 0.01 -0.22 -1.51 0.00 0.00 179.97 178.67 1w53 h LYS 53 N 0.36 0.05 -0.69 0.20 3.64 -1.13 -1.79 116.57 117.20 1w53 h LYS 53 Ca 0.10 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1w53 h LYS 53 Cb 0.14 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1w53 h LYS 53 CO -0.01 0.18 0.38 0.28 -2.27 0.00 0.00 179.45 178.01 1w53 h VAL 54 N -0.10 1.21 -0.84 2.00 2.07 -1.06 -1.68 116.25 117.85 1w53 h VAL 54 Ca 0.01 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1w53 h VAL 54 Cb 0.15 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 1w53 h VAL 54 CO -0.00 0.24 0.51 0.25 0.02 0.00 0.00 177.57 178.59 1w53 h LEU 55 N 0.95 1.00 -0.73 2.57 5.85 -0.64 -0.93 115.31 123.39 1w53 h LEU 55 Ca 0.24 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.81 1w53 h LEU 55 Cb 0.04 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1w53 h LEU 55 CO -0.04 0.76 -0.10 0.50 -0.34 0.00 0.00 178.44 179.22 1w53 h LYS 56 N 1.15 0.87 -0.77 1.25 3.64 -1.06 -0.61 116.57 121.05 1w53 h LYS 56 Ca 0.30 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1w53 h LYS 56 Cb -0.06 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 1w53 h LYS 56 CO -0.06 0.93 0.34 0.93 -2.27 0.00 0.00 179.45 179.32 1w53 h GLU 57 N 0.79 1.12 0.00 1.90 5.08 -0.75 -2.22 114.58 120.50 1w53 h GLU 57 Ca 0.13 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.18 1w53 h GLU 57 Cb 0.61 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1w53 h GLU 57 CO 0.04 0.90 -0.61 -0.07 -1.00 0.00 0.00 179.01 178.27 1w53 h LEU 58 N 1.09 0.00 -5.86 1.33 3.38 -1.08 -3.40 115.31 110.77 1w53 h LEU 58 Ca 0.26 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.72 1w53 h LEU 58 Cb 0.17 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.56 1w53 h LEU 58 CO -0.03 0.61 -1.03 -1.22 0.09 0.00 0.00 178.44 176.86 1w53 n TYR 59 N -3.32 -0.73 0.31 1.13 4.02 -0.25 -4.99 117.16 113.33 1w53 n TYR 59 Ca 0.01 -3.34 0.20 0.00 -0.01 0.00 0.00 57.90 54.76 1w53 n TYR 59 Cb 0.75 -0.09 0.99 0.00 -0.02 0.00 0.00 39.34 40.97 1w53 n TYR 59 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1w53 h PRO 60 N 3.90 0.00 -0.18 -0.72 0.13 -1.62 -2.23 132.00 131.28 1w53 h PRO 60 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1w53 h PRO 60 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1w53 h PRO 60 CO 0.44 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.08 1w53 n SER 61 N -2.93 2.95 -4.56 1.44 3.41 -1.26 -4.98 113.62 107.68 1w53 n SER 61 Ca -0.02 -1.89 -0.43 0.00 -0.26 0.00 0.00 58.87 56.27 1w53 n SER 61 Cb 0.12 -0.10 -0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1w53 n SER 61 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1w53 n LEU 62 N 1.20 1.56 -4.59 1.04 7.94 -0.84 -4.87 117.00 118.44 1w53 n LEU 62 Ca 0.14 1.08 -0.49 0.00 -1.11 0.00 0.00 56.01 55.63 1w53 n LEU 62 Cb 0.53 -1.26 -0.04 0.00 0.53 0.00 0.00 43.42 43.17 1w53 n LEU 62 CO 0.13 -1.79 0.79 -2.65 -1.11 0.00 0.00 177.39 172.76 1w53 n PRO 63 N 0.52 1.27 0.30 1.96 -0.02 -1.26 -4.83 135.00 132.94 1w53 n PRO 63 Ca 0.10 0.46 0.16 0.00 -2.02 0.00 0.00 63.50 62.19 1w53 n PRO 63 Cb 0.35 -2.00 0.93 0.00 -0.02 0.00 0.00 33.50 32.77 1w53 n PRO 63 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1w53 h GLU 64 N 3.73 0.00 -0.03 -0.52 4.57 -1.97 -1.62 114.58 118.74 1w53 h GLU 64 Ca -0.44 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.73 1w53 h GLU 64 Cb 1.33 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.92 1w53 h GLU 64 CO 0.72 0.00 -0.03 -0.44 -1.18 0.00 0.00 179.01 178.09 1w53 h ASP 65 N 0.00 0.03 -0.51 1.04 3.32 -1.98 0.18 116.42 118.51 1w53 h ASP 65 Ca -0.00 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 1w53 h ASP 65 Cb 0.01 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 1w53 h ASP 65 CO 0.00 0.07 0.29 0.58 -1.72 0.00 0.00 179.24 178.46 1w53 h VAL 66 N 0.04 1.02 -0.22 -1.35 2.07 -1.65 -0.02 116.25 116.14 1w53 h VAL 66 Ca 0.01 -0.20 -0.17 0.00 0.82 0.00 0.00 66.70 67.17 1w53 h VAL 66 Cb 0.08 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1w53 h VAL 66 CO 0.00 0.10 -0.51 -0.26 0.02 0.00 0.00 177.57 176.93 1w53 h PHE 67 N 0.57 0.94 -0.66 1.57 0.04 -1.26 -2.59 116.94 115.56 1w53 h PHE 67 Ca 0.21 -0.35 0.04 0.00 2.80 0.00 0.00 57.97 60.67 1w53 h PHE 67 Cb 0.05 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 37.99 1w53 h PHE 67 CO -0.08 1.15 0.44 0.45 -0.60 0.00 0.00 178.31 179.68 1w53 h HIS 68 N 0.47 0.74 -0.51 -0.55 3.86 -0.92 -1.78 115.15 116.45 1w53 h HIS 68 Ca -0.00 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1w53 h HIS 68 Cb 1.12 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 29.32 1w53 h HIS 68 CO 0.08 0.42 0.20 0.66 0.86 0.00 0.00 177.93 180.16 1w53 h SER 69 N 0.76 0.67 0.98 2.45 4.64 -0.63 -2.10 113.55 120.32 1w53 h SER 69 Ca 0.27 -0.08 -0.10 0.00 -0.47 0.00 0.00 61.79 61.42 1w53 h SER 69 Cb 0.12 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1w53 h SER 69 CO -0.08 0.60 -0.46 -0.07 -0.87 0.00 0.00 176.83 175.96 1w53 h LEU 70 N 0.73 0.00 -0.98 5.97 3.38 -1.00 -2.56 115.31 120.85 1w53 h LEU 70 Ca 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1w53 h LEU 70 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1w53 h LEU 70 CO -0.02 0.46 -0.03 0.44 0.09 0.00 0.00 178.44 179.38 1w53 h ASP 71 N 0.00 0.68 -0.34 -0.43 3.32 -0.91 -0.25 116.42 118.48 1w53 h ASP 71 Ca -0.00 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 1w53 h ASP 71 Cb 1.07 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 1w53 h ASP 71 CO 0.06 0.77 0.09 0.15 -1.72 0.00 0.00 179.24 178.58 1w53 h PHE 72 N 0.66 0.57 -0.72 4.55 3.57 -1.36 -2.09 116.94 122.13 1w53 h PHE 72 Ca 0.13 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1w53 h PHE 72 Cb 0.45 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 1w53 h PHE 72 CO 0.02 0.58 0.30 1.25 -2.23 0.00 0.00 178.31 178.23 1w53 h LEU 73 N 0.40 0.96 -0.66 0.59 5.85 -1.16 -1.55 115.31 119.74 1w53 h LEU 73 Ca 0.11 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1w53 h LEU 73 Cb 0.29 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 1w53 h LEU 73 CO 0.00 0.84 0.38 0.40 -0.34 0.00 0.00 178.44 179.72 1w53 h ILE 74 N 1.03 1.00 -0.64 4.05 2.04 -0.92 -0.70 117.51 123.38 1w53 h ILE 74 Ca 0.24 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1w53 h ILE 74 Cb 0.17 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 1w53 h ILE 74 CO -0.02 0.13 0.20 -0.08 0.00 0.00 0.00 178.15 178.38 1w53 h GLU 75 N 0.72 0.99 -0.46 2.37 4.57 -0.60 -1.40 114.58 120.77 1w53 h GLU 75 Ca 0.29 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 1w53 h GLU 75 Cb 0.14 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1w53 h GLU 75 CO -0.16 0.87 0.21 0.28 -1.18 0.00 0.00 179.01 179.03 1w53 h VAL 76 N 0.92 1.19 0.00 0.32 2.07 -1.01 -2.99 116.25 116.75 1w53 h VAL 76 Ca 0.21 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 1w53 h VAL 76 Cb 0.29 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1w53 h VAL 76 CO -0.01 0.21 -0.22 0.24 0.02 0.00 0.00 177.57 177.82 1w53 h MET 77 N 0.59 0.00 -0.93 1.57 2.86 -0.48 -2.45 114.93 116.09 1w53 h MET 77 Ca 0.16 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.92 1w53 h MET 77 Cb 0.14 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.72 1w53 h MET 77 CO -0.02 0.22 0.60 0.82 1.06 0.00 0.00 176.91 179.58 1w53 h ILE 78 N 0.00 0.90 -0.79 -1.22 2.04 -1.12 -0.71 117.51 116.61 1w53 h ILE 78 Ca -0.00 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1w53 h ILE 78 Cb 0.44 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 1w53 h ILE 78 CO 0.03 0.16 0.40 1.23 0.00 0.00 0.00 178.15 179.96 1w53 h GLY 79 N 0.85 1.20 0.94 5.37 0.00 -1.54 -0.96 103.07 108.93 1w53 h GLY 79 Ca 0.46 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1w53 h GLY 79 CO -0.22 0.55 0.14 -0.97 0.00 0.00 0.00 176.54 176.04 1w53 h TYR 80 N 1.10 0.42 -0.87 5.60 -1.99 -1.31 -1.83 116.97 118.10 1w53 h TYR 80 Ca 0.27 -0.02 0.08 0.00 2.00 0.00 0.00 58.73 61.07 1w53 h TYR 80 Cb 0.08 -0.13 -0.06 0.00 2.00 0.00 0.00 36.73 38.62 1w53 h TYR 80 CO 0.01 0.38 0.56 0.78 -0.00 0.00 0.00 178.16 179.89 1w53 h GLY 81 N 0.35 1.24 1.34 3.88 0.00 -0.66 -1.41 103.07 107.80 1w53 h GLY 81 Ca 0.10 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 46.91 1w53 h GLY 81 CO -0.01 0.23 -0.43 -0.33 0.00 0.00 0.00 176.54 176.00 1w53 h MET 82 N 0.90 0.72 -0.02 4.80 2.86 -0.96 -3.13 114.93 120.10 1w53 h MET 82 Ca 0.39 -0.39 -0.18 0.00 -2.06 0.00 0.00 59.70 57.46 1w53 h MET 82 Cb 0.33 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1w53 h MET 82 CO -0.16 1.01 -0.79 0.00 1.06 0.00 0.00 176.91 178.04 1w53 h ALA 83 N 0.93 0.63 0.00 6.32 0.00 -0.91 -3.51 119.26 122.72 1w53 h ALA 83 Ca 0.04 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1w53 h ALA 83 Cb 0.98 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1w53 h ALA 83 CO 0.09 0.86 0.00 0.66 0.00 0.00 0.00 179.25 180.86