#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j6y s ASP 2 N 0.00 3.71 0.53 7.83 1.47 -1.26 -4.97 116.67 123.99 2j6y s ASP 2 Ca 0.00 0.01 0.27 0.00 1.18 0.00 0.00 52.55 54.01 2j6y s ASP 2 Cb 0.00 -0.22 1.51 0.00 -0.34 0.00 0.00 42.92 43.86 2j6y s ASP 2 CO 0.00 -2.32 2.11 0.15 0.68 0.00 0.00 175.17 175.79 2j6y h PHE 3 N -1.13 0.00 -0.48 2.11 3.57 -2.05 -2.71 116.94 116.24 2j6y h PHE 3 Ca -0.41 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.19 2j6y h PHE 3 Cb 1.25 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.89 2j6y h PHE 3 CO -0.68 0.10 -0.25 0.00 -2.23 0.00 0.00 178.31 175.25 2j6y h ARG 4 N 0.00 -0.14 -0.81 1.11 3.08 -1.99 -2.35 114.38 113.28 2j6y h ARG 4 Ca -0.00 0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.25 2j6y h ARG 4 Cb 0.26 0.03 -0.14 0.00 0.08 0.00 0.00 29.97 30.20 2j6y h ARG 4 CO 0.01 -0.09 0.02 0.93 -1.07 0.00 0.00 179.97 179.77 2j6y h GLU 5 N -0.15 0.09 -0.41 0.04 5.08 -1.86 0.54 114.58 117.91 2j6y h GLU 5 Ca 0.22 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2j6y h GLU 5 Cb 0.49 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2j6y h GLU 5 CO -0.57 0.06 0.24 0.28 -1.00 0.00 0.00 179.01 178.02 2j6y h VAL 6 N 0.09 1.14 -0.54 3.13 2.07 -1.56 -1.25 116.25 119.34 2j6y h VAL 6 Ca 0.46 -0.33 -0.11 0.00 0.82 0.00 0.00 66.70 67.54 2j6y h VAL 6 Cb 0.84 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2j6y h VAL 6 CO -0.72 0.14 -0.10 0.40 0.02 0.00 0.00 177.57 177.31 2j6y h ILE 7 N 0.54 1.27 -0.77 4.57 1.08 0.03 -2.71 117.51 121.51 2j6y h ILE 7 Ca 0.15 -1.26 -0.01 0.00 -0.39 0.00 0.00 64.86 63.35 2j6y h ILE 7 Cb 0.01 0.96 -0.04 0.00 -3.07 0.00 0.00 36.82 34.69 2j6y h ILE 7 CO -0.03 0.44 0.43 -0.08 -0.69 0.00 0.00 178.15 178.22 2j6y h GLU 8 N 0.90 1.08 -0.59 2.37 4.81 0.09 0.29 114.58 123.52 2j6y h GLU 8 Ca 0.14 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2j6y h GLU 8 Cb 0.66 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2j6y h GLU 8 CO 0.05 0.80 0.16 0.37 -0.73 0.00 0.00 179.01 179.66 2j6y h GLN 9 N 1.07 0.93 -0.31 1.92 4.15 -0.95 0.17 115.11 122.09 2j6y h GLN 9 Ca 0.27 -0.21 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 2j6y h GLN 9 Cb 0.03 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 2j6y h GLN 9 CO -0.04 0.85 0.09 -0.09 -1.93 0.00 0.00 178.83 177.71 2j6y h ARG 10 N 0.84 0.49 -0.52 1.69 9.65 -1.16 -2.38 114.38 122.99 2j6y h ARG 10 Ca 0.19 -0.11 -0.02 0.00 -1.10 0.00 0.00 59.98 58.94 2j6y h ARG 10 Cb 0.32 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 2j6y h ARG 10 CO -0.00 0.54 0.27 -0.92 2.80 0.00 0.00 179.97 182.66 2j6y h TYR 11 N 0.35 0.74 -0.37 2.20 3.20 -0.59 -1.24 116.97 121.26 2j6y h TYR 11 Ca 0.10 -0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.01 2j6y h TYR 11 Cb 0.26 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.24 2j6y h TYR 11 CO 0.01 0.56 -0.01 1.25 -1.64 0.00 0.00 178.16 178.34 2j6y h HIS 12 N 0.70 -0.03 -0.00 -3.82 2.76 -0.49 0.23 115.15 114.48 2j6y h HIS 12 Ca 0.18 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.38 2j6y h HIS 12 Cb 0.09 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 2j6y h HIS 12 CO -0.01 -0.08 -0.14 0.37 -1.30 0.00 0.00 177.93 176.78 2j6y h GLN 13 N 0.09 -0.16 -0.67 5.26 5.75 -1.18 -1.83 115.11 122.37 2j6y h GLN 13 Ca 0.18 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.78 2j6y h GLN 13 Cb 0.26 0.04 -0.07 0.00 1.07 0.00 0.00 27.48 28.78 2j6y h GLN 13 CO -0.31 -0.11 0.33 -0.07 -2.65 0.00 0.00 178.83 176.02 2j6y h LEU 14 N -0.17 0.44 -0.32 -2.39 3.38 -0.63 -1.59 115.31 114.03 2j6y h LEU 14 Ca 0.00 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2j6y h LEU 14 Cb 0.18 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2j6y h LEU 14 CO -0.09 0.26 0.04 0.25 0.09 0.00 0.00 178.44 178.99 2j6y h LEU 15 N 0.58 0.52 -0.65 1.67 5.85 -0.58 -1.67 115.31 121.04 2j6y h LEU 15 Ca 0.32 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 2j6y h LEU 15 Cb 0.31 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2j6y h LEU 15 CO -0.25 0.66 0.16 0.77 -0.34 0.00 0.00 178.44 179.44 2j6y h SER 16 N 0.36 0.98 -0.33 1.25 4.64 -0.80 -1.11 113.55 118.54 2j6y h SER 16 Ca 0.10 -0.23 0.05 0.00 -0.47 0.00 0.00 61.79 61.23 2j6y h SER 16 Cb 0.37 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.16 2j6y h SER 16 CO 0.01 0.96 0.06 0.03 -0.87 0.00 0.00 176.83 177.02 2j6y h ARG 17 N 0.96 0.18 -0.09 4.77 3.08 -1.27 -0.86 114.38 121.14 2j6y h ARG 17 Ca 0.20 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2j6y h ARG 17 Cb 0.36 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 2j6y h ARG 17 CO 0.00 0.12 0.06 -0.92 -1.07 0.00 0.00 179.97 178.16 2j6y h TYR 18 N 0.18 0.12 -1.00 3.04 3.20 -1.04 -0.38 116.97 121.09 2j6y h TYR 18 Ca 0.15 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.06 2j6y h TYR 18 Cb 0.17 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.34 2j6y h TYR 18 CO -0.18 0.09 0.65 0.82 -1.64 0.00 0.00 178.16 177.90 2j6y h ILE 19 N 0.11 1.18 -0.36 1.81 2.04 -1.12 0.41 117.51 121.59 2j6y h ILE 19 Ca 0.03 -0.44 -0.14 0.00 1.00 0.00 0.00 64.86 65.32 2j6y h ILE 19 Cb 0.00 -0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 35.87 2j6y h ILE 19 CO -0.01 0.23 -0.34 0.00 0.00 0.00 0.00 178.15 178.04 2j6y h ALA 20 N 1.41 0.73 0.01 1.87 0.00 -0.97 -3.39 119.26 118.92 2j6y h ALA 20 Ca 0.40 -0.43 -0.40 0.00 0.00 0.00 0.00 54.91 54.48 2j6y h ALA 20 Cb -0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 2j6y h ALA 20 CO -0.12 0.66 -2.38 0.39 0.00 0.00 0.00 179.25 177.80 2j6y n GLU 21 N -4.07 0.64 -3.12 0.00 1.02 -0.17 -5.00 120.64 109.94 2j6y n GLU 21 Ca -0.01 0.22 -0.23 0.00 -0.02 0.00 0.00 57.16 57.12 2j6y n GLU 21 Cb 0.51 -1.54 0.04 0.00 -0.02 0.00 0.00 31.44 30.42 2j6y n GLU 21 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2j6y n LEU 22 N -3.67 -2.65 -4.94 -4.62 4.77 0.14 -5.00 117.00 101.03 2j6y n LEU 22 Ca -0.47 -0.33 -0.21 0.00 -0.03 0.00 0.00 56.01 54.98 2j6y n LEU 22 Cb 0.95 -2.91 -0.02 0.00 -2.33 0.00 0.00 43.42 39.10 2j6y n LEU 22 CO 0.20 0.27 -0.05 0.42 -1.33 0.00 0.00 177.39 176.90 2j6y s THR 23 N -3.17 4.79 0.27 -5.08 -4.23 -1.26 -5.02 115.64 101.93 2j6y s THR 23 Ca 0.35 -1.10 0.02 0.00 -1.18 0.00 0.00 61.69 59.78 2j6y s THR 23 Cb -0.16 -3.65 0.04 0.00 1.34 0.00 0.00 72.50 70.07 2j6y s THR 23 CO 0.43 -0.30 1.68 0.11 -0.54 0.00 0.00 174.62 176.00 2j6y h LYS 24 N 1.20 0.44 -0.49 3.99 1.79 -1.98 -1.36 116.57 120.16 2j6y h LYS 24 Ca -0.50 -0.19 0.04 0.00 -2.18 0.00 0.00 60.65 57.82 2j6y h LYS 24 Cb 1.24 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.83 2j6y h LYS 24 CO 0.59 0.72 0.25 1.15 -1.08 0.00 0.00 179.45 181.09 2j6y h THR 25 N 0.38 0.97 -0.10 -0.16 2.02 -1.99 0.03 112.91 114.05 2j6y h THR 25 Ca 0.05 -0.17 -0.13 0.00 0.77 0.00 0.00 66.41 66.93 2j6y h THR 25 Cb 0.77 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2j6y h THR 25 CO 0.06 0.09 -0.49 0.77 0.37 0.00 0.00 175.52 176.32 2j6y h SER 26 N 0.50 0.30 -0.27 4.18 4.64 -1.90 -2.47 113.55 118.53 2j6y h SER 26 Ca 0.21 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.34 2j6y h SER 26 Cb 0.11 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 2j6y h SER 26 CO -0.14 0.75 0.02 0.25 -0.87 0.00 0.00 176.83 176.84 2j6y h LEU 27 N 0.22 0.53 -1.67 5.97 5.85 -0.94 -2.46 115.31 122.80 2j6y h LEU 27 Ca 0.01 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 2j6y h LEU 27 Cb 0.95 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2j6y h LEU 27 CO 0.08 0.58 -0.07 0.22 -0.34 0.00 0.00 178.44 178.91 2j6y h TYR 28 N 0.55 0.12 -0.05 1.25 3.20 -0.52 -1.58 116.97 119.94 2j6y h TYR 28 Ca 0.12 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.00 2j6y h TYR 28 Cb 0.31 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.55 2j6y h TYR 28 CO 0.01 0.19 0.08 1.96 -1.64 0.00 0.00 178.16 178.77 2j6y h GLN 29 N 0.12 0.00 -0.65 1.82 1.08 -1.34 -0.28 115.11 115.86 2j6y h GLN 29 Ca 0.03 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.16 2j6y h GLN 29 Cb 0.21 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 2j6y h GLN 29 CO 0.01 0.00 0.12 0.00 -0.95 0.00 0.00 178.83 178.01 2j6y h ALA 30 N 1.88 0.99 -0.33 3.87 0.00 -1.43 -1.33 119.26 122.92 2j6y h ALA 30 Ca 0.02 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 2j6y h ALA 30 Cb 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2j6y h ALA 30 CO -0.00 0.64 -0.07 1.96 0.00 0.00 0.00 179.25 181.78 2j6y h GLN 31 N 0.99 0.63 -0.92 0.00 4.20 -1.18 -1.68 115.11 117.16 2j6y h GLN 31 Ca 0.20 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2j6y h GLN 31 Cb 0.40 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.10 2j6y h GLN 31 CO 0.01 0.80 0.53 0.87 -0.67 0.00 0.00 178.83 180.37 2j6y h LYS 32 N 0.41 1.26 0.12 1.46 1.57 -1.44 -1.99 116.57 117.95 2j6y h LYS 32 Ca 0.08 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2j6y h LYS 32 Cb 0.56 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2j6y h LYS 32 CO 0.03 0.90 -0.16 0.35 -0.57 0.00 0.00 179.45 180.00 2j6y h PHE 33 N 1.27 -0.42 -0.74 -1.35 3.57 -1.21 -2.86 116.94 115.20 2j6y h PHE 33 Ca 0.33 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 2j6y h PHE 33 Cb -0.02 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 2j6y h PHE 33 CO 0.01 -0.24 0.40 0.66 -2.23 0.00 0.00 178.31 176.91 2j6y h SER 34 N -0.33 0.92 -0.67 0.41 4.64 -1.19 0.57 113.55 117.90 2j6y h SER 34 Ca 0.02 -0.08 0.05 0.00 -0.47 0.00 0.00 61.79 61.31 2j6y h SER 34 Cb 0.33 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 62.13 2j6y h SER 34 CO -0.07 0.75 0.39 0.03 -0.87 0.00 0.00 176.83 177.06 2j6y h ARG 35 N 1.04 0.71 0.16 4.77 3.08 -1.30 -0.60 114.38 122.24 2j6y h ARG 35 Ca 0.26 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 2j6y h ARG 35 Cb 0.03 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.93 2j6y h ARG 35 CO -0.04 0.47 -0.07 0.87 -1.07 0.00 0.00 179.97 180.12 2j6y h LYS 36 N 0.73 -0.20 -0.40 0.04 1.57 -1.04 -2.52 116.57 114.75 2j6y h LYS 36 Ca 0.29 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 59.01 2j6y h LYS 36 Cb 0.13 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2j6y h LYS 36 CO -0.16 -0.04 -0.07 1.79 -0.57 0.00 0.00 179.45 180.40 2j6y h THR 37 N -0.32 1.24 -0.20 -0.16 1.35 -0.61 -0.94 112.91 113.28 2j6y h THR 37 Ca -0.02 -1.05 0.02 0.00 -0.55 0.00 0.00 66.41 64.81 2j6y h THR 37 Cb 0.25 1.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.67 2j6y h THR 37 CO 0.04 0.36 0.05 0.40 -0.25 0.00 0.00 175.52 176.12 2j6y h ILE 38 N 0.63 0.93 -0.79 6.82 2.04 -1.17 -0.08 117.51 125.90 2j6y h ILE 38 Ca 0.12 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.96 2j6y h ILE 38 Cb 0.50 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 2j6y h ILE 38 CO 0.03 0.03 0.52 -0.33 0.00 0.00 0.00 178.15 178.39 2j6y h GLU 39 N 0.14 0.95 0.00 2.37 4.39 -0.99 0.13 114.58 121.56 2j6y h GLU 39 Ca 0.09 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2j6y h GLU 39 Cb 0.07 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 2j6y h GLU 39 CO -0.10 0.63 0.00 0.72 -1.16 0.00 0.00 179.01 179.10 2j6y n HIS 40 N -4.45 0.00 -2.93 4.33 8.25 -0.40 -4.89 115.22 115.14 2j6y n HIS 40 Ca 0.10 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.36 2j6y n HIS 40 Cb 0.11 -0.05 0.01 0.00 1.12 0.00 0.00 29.99 31.18 2j6y n HIS 40 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2j6y n GLN 41 N -1.05 -3.48 -2.75 -0.41 6.02 0.44 -4.95 117.38 111.20 2j6y n GLN 41 Ca 0.13 0.72 -0.42 0.00 -0.01 0.00 0.00 57.00 57.42 2j6y n GLN 41 Cb 0.08 -5.46 -0.03 0.00 1.02 0.00 0.00 30.24 25.85 2j6y n GLN 41 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2j6y s ILE 42 N -2.97 4.80 0.48 5.09 1.01 -0.12 -5.02 121.20 124.48 2j6y s ILE 42 Ca 0.23 1.92 -0.19 0.00 0.00 0.00 0.00 60.65 62.61 2j6y s ILE 42 Cb -0.11 -4.26 -0.09 0.00 0.01 0.00 0.00 42.46 38.01 2j6y s ILE 42 CO 0.29 -0.01 0.98 -2.16 0.00 0.00 0.00 174.94 174.04 2j6y s PRO 43 N 2.16 4.03 0.50 2.79 0.04 -1.26 -4.59 135.00 138.68 2j6y s PRO 43 Ca 0.45 1.07 0.16 0.00 0.04 0.00 0.00 61.00 62.72 2j6y s PRO 43 Cb -0.17 -2.15 1.22 0.00 0.04 0.00 0.00 34.50 33.44 2j6y s PRO 43 CO 0.15 -0.20 2.11 -1.00 0.04 0.00 0.00 177.00 178.10 2j6y h PRO 44 N 1.39 0.08 -0.62 0.56 0.13 -1.92 -0.99 132.00 130.63 2j6y h PRO 44 Ca -0.48 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2j6y h PRO 44 Cb 1.19 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2j6y h PRO 44 CO 0.61 0.06 0.37 1.05 -0.23 0.00 0.00 178.00 179.86 2j6y h GLU 45 N 0.09 0.84 0.00 0.86 9.09 -1.87 -1.56 114.58 122.03 2j6y h GLU 45 Ca 0.06 -0.07 -0.12 0.00 0.05 0.00 0.00 59.36 59.28 2j6y h GLU 45 Cb 0.13 -0.18 -0.02 0.00 -1.65 0.00 0.00 28.75 27.04 2j6y h GLU 45 CO -0.01 0.59 -0.56 0.93 0.05 0.00 0.00 179.01 180.02 2j6y h GLU 46 N 0.86 0.00 -0.29 1.06 4.39 -1.56 -0.91 114.58 118.13 2j6y h GLU 46 Ca 0.22 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.89 2j6y h GLU 46 Cb -0.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2j6y h GLU 46 CO -0.04 0.56 0.03 0.82 -1.16 0.00 0.00 179.01 179.22 2j6y h ILE 47 N 0.00 1.24 -0.53 3.13 1.08 -1.10 -1.06 117.51 120.27 2j6y h ILE 47 Ca -0.01 -0.86 0.05 0.00 -0.39 0.00 0.00 64.86 63.66 2j6y h ILE 47 Cb 1.01 1.24 -0.05 0.00 -3.07 0.00 0.00 36.82 35.95 2j6y h ILE 47 CO 0.07 0.28 0.27 0.40 -0.69 0.00 0.00 178.15 178.48 2j6y h ILE 48 N 0.30 0.94 -0.52 -0.67 1.08 -1.08 0.09 117.51 117.65 2j6y h ILE 48 Ca 0.09 -0.18 0.05 0.00 -0.39 0.00 0.00 64.86 64.43 2j6y h ILE 48 Cb 0.38 0.38 -0.05 0.00 -3.07 0.00 0.00 36.82 34.47 2j6y h ILE 48 CO 0.01 0.09 0.25 -1.28 -0.69 0.00 0.00 178.15 176.54 2j6y h SER 49 N 0.51 0.35 -0.63 1.72 0.87 -1.07 0.17 113.55 115.48 2j6y h SER 49 Ca 0.24 0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.93 2j6y h SER 49 Cb 0.16 -0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.02 2j6y h SER 49 CO -0.17 0.24 0.26 0.40 -0.53 0.00 0.00 176.83 177.03 2j6y h ILE 50 N 0.49 0.79 -0.47 2.23 2.04 -0.95 -0.11 117.51 121.53 2j6y h ILE 50 Ca 0.24 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 2j6y h ILE 50 Cb 0.17 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 2j6y h ILE 50 CO -0.18 0.08 0.14 -0.74 0.00 0.00 0.00 178.15 177.46 2j6y h HIS 51 N 0.46 0.76 -0.26 1.37 2.76 0.17 -0.01 115.15 120.40 2j6y h HIS 51 Ca 0.32 -0.08 0.03 0.00 -2.20 0.00 0.00 60.37 58.43 2j6y h HIS 51 Cb 0.37 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.09 2j6y h HIS 51 CO -0.15 0.68 0.09 -0.09 -1.30 0.00 0.00 177.93 177.16 2j6y h ARG 52 N 0.62 0.20 -0.11 5.26 2.43 -0.33 0.65 114.38 123.11 2j6y h ARG 52 Ca 0.15 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2j6y h ARG 52 Cb 0.28 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2j6y h ARG 52 CO -0.00 0.13 -0.00 0.87 -1.51 0.00 0.00 179.97 179.46 2j6y h LYS 53 N 0.21 0.03 -0.20 0.20 1.57 -0.62 -1.80 116.57 115.96 2j6y h LYS 53 Ca 0.11 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2j6y h LYS 53 Cb 0.08 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2j6y h LYS 53 CO -0.11 0.02 0.05 0.28 -0.57 0.00 0.00 179.45 179.11 2j6y h VAL 54 N 0.04 1.21 -0.97 0.50 2.07 -0.82 -2.40 116.25 115.87 2j6y h VAL 54 Ca 0.05 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 66.93 2j6y h VAL 54 Cb 0.06 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 2j6y h VAL 54 CO -0.09 0.21 0.63 0.25 0.02 0.00 0.00 177.57 178.60 2j6y h LEU 55 N 0.14 1.05 -1.11 2.57 5.85 -0.75 0.57 115.31 123.62 2j6y h LEU 55 Ca 0.06 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.87 2j6y h LEU 55 Cb 0.28 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 2j6y h LEU 55 CO 0.00 0.71 0.61 0.50 -0.34 0.00 0.00 178.44 179.92 2j6y h LYS 56 N 1.22 0.95 -0.31 1.25 1.63 -1.19 0.92 116.57 121.04 2j6y h LYS 56 Ca 0.39 -0.06 -0.16 0.00 -0.85 0.00 0.00 60.65 59.97 2j6y h LYS 56 Cb 0.02 -0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 31.44 2j6y h LYS 56 CO -0.13 0.63 -0.45 1.49 -3.45 0.00 0.00 179.45 177.54 2j6y h GLU 57 N 0.98 0.85 -0.27 1.90 4.81 -0.70 -2.53 114.58 119.62 2j6y h GLU 57 Ca 0.44 -0.50 -0.18 0.00 -0.13 0.00 0.00 59.36 58.98 2j6y h GLU 57 Cb 0.37 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2j6y h GLU 57 CO -0.19 1.14 -0.55 -0.07 -0.73 0.00 0.00 179.01 178.61 2j6y h LEU 58 N 0.64 0.94 -5.95 1.64 3.38 -0.57 -3.38 115.31 112.02 2j6y h LEU 58 Ca 0.03 -0.54 -0.54 0.00 0.09 0.00 0.00 57.88 56.92 2j6y h LEU 58 Cb 1.05 -0.27 -0.40 0.00 0.09 0.00 0.00 40.66 41.13 2j6y h LEU 58 CO 0.10 1.31 -1.02 -1.22 0.09 0.00 0.00 178.44 177.70 2j6y n TYR 59 N -4.04 0.85 0.30 1.13 4.01 0.29 -4.97 117.16 114.72 2j6y n TYR 59 Ca -0.05 -3.78 0.20 0.00 -0.16 0.00 0.00 57.90 54.11 2j6y n TYR 59 Cb 0.63 -0.42 1.06 0.00 -0.31 0.00 0.00 39.34 40.30 2j6y n TYR 59 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2j6y h PRO 60 N 3.56 0.00 -0.31 -0.72 0.13 -1.64 -2.57 132.00 130.45 2j6y h PRO 60 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2j6y h PRO 60 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2j6y h PRO 60 CO 0.56 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.20 2j6y n SER 61 N -2.88 3.25 -4.53 1.44 3.41 -1.26 -4.99 113.62 108.07 2j6y n SER 61 Ca -0.03 -1.95 -0.39 0.00 -0.26 0.00 0.00 58.87 56.25 2j6y n SER 61 Cb 0.08 -0.19 0.04 0.00 -0.26 0.00 0.00 64.21 63.87 2j6y n SER 61 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2j6y n LEU 62 N 1.35 1.78 -4.58 1.04 4.77 -0.97 -4.86 117.00 115.52 2j6y n LEU 62 Ca 0.17 0.81 -0.46 0.00 -0.03 0.00 0.00 56.01 56.50 2j6y n LEU 62 Cb 0.57 -1.25 -0.02 0.00 -2.33 0.00 0.00 43.42 40.38 2j6y n LEU 62 CO 0.14 -2.51 0.61 -2.65 -1.33 0.00 0.00 177.39 171.65 2j6y n PRO 63 N -0.26 1.27 0.21 3.23 -0.02 -1.26 -4.82 135.00 133.35 2j6y n PRO 63 Ca 0.12 0.45 0.17 0.00 -2.02 0.00 0.00 63.50 62.22 2j6y n PRO 63 Cb 0.46 -1.85 0.84 0.00 -0.02 0.00 0.00 33.50 32.92 2j6y n PRO 63 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2j6y h GLU 64 N 2.44 0.00 -0.04 -0.52 4.57 -1.96 -1.44 114.58 117.62 2j6y h GLU 64 Ca -0.40 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.75 2j6y h GLU 64 Cb 1.34 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.93 2j6y h GLU 64 CO 0.64 0.00 -0.11 -0.44 -1.18 0.00 0.00 179.01 177.91 2j6y h ASP 65 N 0.00 0.05 -0.32 1.04 3.32 -1.99 -0.24 116.42 118.29 2j6y h ASP 65 Ca 0.09 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.17 2j6y h ASP 65 Cb 0.52 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 2j6y h ASP 65 CO -0.00 0.18 0.08 0.58 -1.72 0.00 0.00 179.24 178.36 2j6y h VAL 66 N 0.06 0.87 -0.08 -1.35 2.07 -1.61 0.14 116.25 116.35 2j6y h VAL 66 Ca 0.01 -0.07 -0.22 0.00 0.82 0.00 0.00 66.70 67.24 2j6y h VAL 66 Cb 0.24 0.64 0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2j6y h VAL 66 CO 0.02 0.04 -0.83 -0.26 0.02 0.00 0.00 177.57 176.56 2j6y h PHE 67 N 0.21 0.82 -0.79 1.57 0.04 -1.33 -2.07 116.94 115.39 2j6y h PHE 67 Ca 0.15 -0.39 0.08 0.00 2.80 0.00 0.00 57.97 60.62 2j6y h PHE 67 Cb 0.15 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 38.13 2j6y h PHE 67 CO -0.16 1.19 0.51 0.45 -0.60 0.00 0.00 178.31 179.71 2j6y h HIS 68 N 0.38 0.81 -0.67 -0.55 3.86 -0.96 -1.56 115.15 116.45 2j6y h HIS 68 Ca -0.06 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 2j6y h HIS 68 Cb 1.44 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 29.62 2j6y h HIS 68 CO 0.07 0.40 0.36 0.66 0.86 0.00 0.00 177.93 180.28 2j6y h SER 69 N 0.77 0.83 0.92 2.45 4.64 -0.03 -2.60 113.55 120.53 2j6y h SER 69 Ca 0.35 -0.07 -0.22 0.00 -0.47 0.00 0.00 61.79 61.39 2j6y h SER 69 Cb 0.36 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 2j6y h SER 69 CO -0.13 0.67 -1.02 -0.07 -0.87 0.00 0.00 176.83 175.41 2j6y h LEU 70 N 0.94 0.08 -0.76 5.97 3.38 -0.96 -1.87 115.31 122.09 2j6y h LEU 70 Ca 0.24 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.20 2j6y h LEU 70 Cb 0.03 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 2j6y h LEU 70 CO -0.04 1.05 0.44 0.44 0.09 0.00 0.00 178.44 180.42 2j6y h ASP 71 N 0.01 0.66 -0.51 -0.43 3.32 -1.09 0.14 116.42 118.52 2j6y h ASP 71 Ca -0.03 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2j6y h ASP 71 Cb 1.78 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 41.20 2j6y h ASP 71 CO 0.14 0.41 0.20 0.15 -1.72 0.00 0.00 179.24 178.42 2j6y h PHE 72 N 0.79 0.79 -0.52 4.55 3.57 -1.11 -2.38 116.94 122.63 2j6y h PHE 72 Ca 0.34 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.78 2j6y h PHE 72 Cb 0.22 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 2j6y h PHE 72 CO -0.06 0.66 0.32 1.25 -2.23 0.00 0.00 178.31 178.25 2j6y h LEU 73 N 0.69 0.61 -0.56 0.59 5.85 -1.01 -1.70 115.31 119.77 2j6y h LEU 73 Ca 0.17 -0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.96 2j6y h LEU 73 Cb 0.21 -0.15 -0.10 0.00 0.37 0.00 0.00 40.66 40.99 2j6y h LEU 73 CO -0.01 0.47 -0.05 0.40 -0.34 0.00 0.00 178.44 178.91 2j6y h ILE 74 N 0.69 0.51 -0.77 4.05 2.04 -0.67 -2.11 117.51 121.26 2j6y h ILE 74 Ca 0.19 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.97 2j6y h ILE 74 Cb -0.04 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 2j6y h ILE 74 CO -0.04 0.01 0.28 -0.08 0.00 0.00 0.00 178.15 178.33 2j6y h GLU 75 N 0.07 1.17 -0.67 2.37 4.57 -0.81 -1.91 114.58 119.37 2j6y h GLU 75 Ca 0.28 -0.22 0.01 0.00 -1.18 0.00 0.00 59.36 58.24 2j6y h GLU 75 Cb 0.44 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 2j6y h GLU 75 CO -0.51 0.96 0.44 0.28 -1.18 0.00 0.00 179.01 179.00 2j6y h VAL 76 N 1.13 1.17 0.00 0.32 2.07 -1.10 -3.00 116.25 116.84 2j6y h VAL 76 Ca 0.25 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2j6y h VAL 76 Cb 0.25 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2j6y h VAL 76 CO -0.02 0.17 0.00 0.23 0.02 0.00 0.00 177.57 177.97 2j6y n MET 77 N -4.61 0.20 -0.29 1.57 2.81 -0.76 -3.08 117.12 112.95 2j6y n MET 77 Ca 0.06 0.30 0.03 0.00 -1.81 0.00 0.00 57.70 56.28 2j6y n MET 77 Cb 0.02 -1.81 0.17 0.00 -0.71 0.00 0.00 33.22 30.90 2j6y n MET 77 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2j6y h ILE 78 N 0.00 0.90 -0.70 2.02 2.04 -1.30 -1.50 117.51 118.96 2j6y h ILE 78 Ca 0.00 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.63 2j6y h ILE 78 Cb 0.53 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 2j6y h ILE 78 CO 0.00 0.14 0.46 1.23 0.00 0.00 0.00 178.15 179.99 2j6y h GLY 79 N 0.79 0.96 0.96 5.37 0.00 -1.74 0.07 103.07 109.48 2j6y h GLY 79 Ca 0.41 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 47.30 2j6y h GLY 79 CO -0.25 0.28 -0.25 -0.97 0.00 0.00 0.00 176.54 175.35 2j6y h TYR 80 N 0.83 0.82 -0.35 5.60 0.05 -1.46 -0.48 116.97 121.98 2j6y h TYR 80 Ca 0.28 -0.23 -0.06 0.00 0.05 0.00 0.00 58.73 58.77 2j6y h TYR 80 Cb 0.09 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 2j6y h TYR 80 CO -0.00 0.96 -0.05 0.78 -1.05 0.00 0.00 178.16 178.81 2j6y h GLY 81 N 0.43 0.60 0.96 3.88 0.00 -0.98 -0.13 103.07 107.83 2j6y h GLY 81 Ca 0.05 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 2j6y h GLY 81 CO 0.06 0.36 0.01 -0.33 0.00 0.00 0.00 176.54 176.64 2j6y h MET 82 N 0.53 0.74 0.00 4.80 2.86 -0.89 -1.42 114.93 121.54 2j6y h MET 82 Ca 0.11 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 2j6y h MET 82 Cb 0.41 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 2j6y h MET 82 CO 0.02 0.81 -0.14 0.00 1.06 0.00 0.00 176.91 178.66 2j6y h ALA 83 N 0.90 1.62 0.00 6.32 0.00 -0.65 -3.06 119.26 124.38 2j6y h ALA 83 Ca 0.12 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2j6y h ALA 83 Cb 0.47 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2j6y h ALA 83 CO 0.02 0.18 -1.13 1.88 0.00 0.00 0.00 179.25 180.20 2j6y h TYR 84 N 0.00 0.00 0.00 0.00 0.99 -0.78 -3.51 116.97 113.67 2j6y h TYR 84 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2j6y h TYR 84 Cb 0.27 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.00 2j6y h TYR 84 CO 0.00 0.48 0.00 0.94 -0.00 0.00 0.00 178.16 179.58