#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wcf n THR 1 N 0.00 2.62 -0.24 6.66 -1.04 -1.26 -4.85 114.28 116.17 2wcf n THR 1 Ca 0.00 -0.50 -0.01 0.00 -2.04 0.00 0.00 64.05 61.50 2wcf n THR 1 Cb 0.00 -1.12 0.18 0.00 -1.82 0.00 0.00 70.33 67.57 2wcf n THR 1 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 2wcf h LYS 2 N 1.28 1.05 -0.65 -2.82 2.10 -2.06 -1.73 116.57 113.75 2wcf h LYS 2 Ca -0.45 -0.11 0.06 0.00 -2.00 0.00 0.00 60.65 58.15 2wcf h LYS 2 Cb 1.35 -0.21 -0.05 0.00 -0.90 0.00 0.00 32.23 32.41 2wcf h LYS 2 CO 0.55 0.76 0.36 1.25 -2.00 0.00 0.00 179.45 180.37 2wcf h LEU 3 N 1.06 0.53 -1.60 7.07 5.85 -2.00 -2.28 115.31 123.94 2wcf h LEU 3 Ca 0.27 0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.09 2wcf h LEU 3 Cb -0.00 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2wcf h LEU 3 CO -0.05 0.35 0.37 -0.33 -0.34 0.00 0.00 178.44 178.44 2wcf h GLU 4 N 0.67 0.47 -0.06 1.25 5.08 -1.69 -0.60 114.58 119.70 2wcf h GLU 4 Ca 0.29 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 2wcf h GLU 4 Cb 0.18 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2wcf h GLU 4 CO -0.18 0.31 -0.00 0.93 -1.00 0.00 0.00 179.01 179.07 2wcf h GLU 5 N 0.48 0.10 -0.36 2.33 3.07 -0.91 -1.87 114.58 117.41 2wcf h GLU 5 Ca 0.24 -0.03 0.05 0.00 -0.50 0.00 0.00 59.36 59.12 2wcf h GLU 5 Cb 0.34 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.19 2wcf h GLU 5 CO -0.07 0.38 0.08 0.45 -1.40 0.00 0.00 179.01 178.46 2wcf h HIS 6 N -0.20 0.13 0.17 4.33 3.86 -1.16 0.89 115.15 123.18 2wcf h HIS 6 Ca 0.02 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2wcf h HIS 6 Cb 0.34 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 2wcf h HIS 6 CO 0.03 0.03 -0.24 -0.07 0.86 0.00 0.00 177.93 178.55 2wcf h LEU 7 N 0.21 -0.67 -0.48 2.43 3.38 -1.03 -0.48 115.31 118.68 2wcf h LEU 7 Ca 0.17 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.25 2wcf h LEU 7 Cb 0.19 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 2wcf h LEU 7 CO -0.22 -0.29 -0.28 1.21 0.09 0.00 0.00 178.44 178.96 2wcf n GLU 8 N -3.77 -0.20 -0.27 1.13 2.13 -0.71 -0.42 120.64 118.52 2wcf n GLU 8 Ca -0.05 0.72 0.03 0.00 0.66 0.00 0.00 57.16 58.52 2wcf n GLU 8 Cb 0.20 -1.06 0.16 0.00 0.27 0.00 0.00 31.44 31.01 2wcf n GLU 8 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2wcf h GLY 9 N 0.00 1.19 1.23 8.31 0.00 0.20 -0.79 103.07 113.20 2wcf h GLY 9 Ca 0.08 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 47.03 2wcf h GLY 9 CO -0.45 0.07 -0.21 -2.22 0.00 0.00 0.00 176.54 173.73 2wcf h ILE 10 N 0.68 1.27 -0.32 2.60 2.04 0.63 -2.27 117.51 122.13 2wcf h ILE 10 Ca 0.38 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 2wcf h ILE 10 Cb 0.40 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 2wcf h ILE 10 CO -0.27 0.46 0.17 0.58 0.00 0.00 0.00 178.15 179.09 2wcf h VAL 11 N 0.77 1.10 -0.16 1.67 2.07 0.35 0.31 116.25 122.37 2wcf h VAL 11 Ca 0.11 -0.26 -0.19 0.00 0.82 0.00 0.00 66.70 67.17 2wcf h VAL 11 Cb 0.75 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2wcf h VAL 11 CO 0.06 0.11 -0.68 0.78 0.02 0.00 0.00 177.57 177.86 2wcf h ASN 12 N 0.44 0.73 -0.07 0.57 4.21 -0.78 -2.47 115.58 118.22 2wcf h ASN 12 Ca 0.12 -0.44 -0.01 0.00 1.21 0.00 0.00 56.30 57.17 2wcf h ASN 12 Cb 0.02 -0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 37.00 2wcf h ASN 12 CO -0.02 1.21 -0.01 0.40 -1.29 0.00 0.00 177.43 177.72 2wcf h ILE 13 N 0.45 1.27 -0.79 2.81 2.04 -0.71 -0.43 117.51 122.16 2wcf h ILE 13 Ca -0.02 -0.83 0.08 0.00 1.00 0.00 0.00 64.86 65.09 2wcf h ILE 13 Cb 1.27 1.68 -0.10 0.00 -0.74 0.00 0.00 36.82 38.93 2wcf h ILE 13 CO 0.13 0.23 -0.43 0.33 0.00 0.00 0.00 178.15 178.41 2wcf n PHE 14 N -4.84 -0.27 0.25 1.37 7.35 -0.01 -1.62 117.46 119.69 2wcf n PHE 14 Ca -0.07 0.98 0.13 0.00 -0.76 0.00 0.00 57.45 57.73 2wcf n PHE 14 Cb 0.20 -0.61 0.56 0.00 0.35 0.00 0.00 39.48 39.98 2wcf n PHE 14 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2wcf h HIS 15 N 0.00 0.00 0.00 -5.13 3.86 -0.90 0.26 115.15 113.24 2wcf h HIS 15 Ca 0.16 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.23 2wcf h HIS 15 Cb 0.35 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 2wcf h HIS 15 CO -0.78 0.12 -0.65 1.96 0.86 0.00 0.00 177.93 179.44 2wcf h GLN 16 N 0.00 0.00 0.21 2.45 4.20 -0.12 0.70 115.11 122.55 2wcf h GLN 16 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2wcf h GLN 16 Cb 0.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 2wcf h GLN 16 CO 0.02 0.65 -0.10 1.88 -0.67 0.00 0.00 178.83 180.60 2wcf h TYR 17 N 0.00 -0.26 -0.71 2.96 -1.99 -0.79 -3.37 116.97 112.81 2wcf h TYR 17 Ca -0.01 -0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.68 2wcf h TYR 17 Cb 1.25 0.09 -0.03 0.00 2.00 0.00 0.00 36.73 40.03 2wcf h TYR 17 CO 0.00 0.12 0.28 0.66 -0.00 0.00 0.00 178.16 179.22 2wcf h SER 18 N -0.92 0.97 -0.65 3.88 4.64 -0.50 -2.77 113.55 118.21 2wcf h SER 18 Ca -0.03 -0.14 0.19 0.00 -0.47 0.00 0.00 61.79 61.34 2wcf h SER 18 Cb 0.49 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 2wcf h SER 18 CO 0.05 0.87 0.55 1.62 -0.87 0.00 0.00 176.83 179.05 2wcf h VAL 19 N 1.04 0.47 -0.80 0.95 3.04 -1.03 -3.18 116.25 116.74 2wcf h VAL 19 Ca 0.24 0.00 0.21 0.00 -1.01 0.00 0.00 66.70 66.14 2wcf h VAL 19 Cb 0.20 0.59 -0.04 0.00 -2.01 0.00 0.00 31.29 30.03 2wcf h VAL 19 CO -0.02 0.00 0.56 0.03 -1.01 0.00 0.00 177.57 177.13 2wcf h ARG 20 N 0.00 0.16 -0.31 4.17 3.08 -1.64 -3.38 114.38 116.44 2wcf h ARG 20 Ca 0.31 -0.01 0.23 0.00 0.07 0.00 0.00 59.98 60.58 2wcf h ARG 20 Cb 1.41 -0.04 -0.20 0.00 0.08 0.00 0.00 29.97 31.23 2wcf h ARG 20 CO -0.00 0.10 0.07 0.15 -1.07 0.00 0.00 179.97 179.22 2wcf s LYS 21 N -5.16 0.18 0.00 0.04 3.01 -1.20 -5.15 119.74 111.45 2wcf s LYS 21 Ca -0.06 0.26 0.00 0.00 -1.01 0.00 0.00 55.97 55.16 2wcf s LYS 21 Cb 0.21 0.14 0.00 0.00 -1.01 0.00 0.00 37.83 37.17 2wcf s LYS 21 CO 0.77 -0.25 0.00 0.41 0.51 0.00 0.00 175.35 176.79 2wcf n GLY 22 N 5.34 0.79 3.73 -3.33 0.00 -1.26 -4.94 105.19 105.51 2wcf n GLY 22 Ca -0.01 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 2wcf n GLY 22 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wcf s HIS 23 N 0.00 3.53 0.11 1.61 3.76 -1.26 -4.91 115.29 118.13 2wcf s HIS 23 Ca 0.00 1.49 0.14 0.00 -0.15 0.00 0.00 55.06 56.53 2wcf s HIS 23 Cb 0.00 -3.33 0.29 0.00 1.11 0.00 0.00 32.58 30.65 2wcf s HIS 23 CO 0.00 -0.84 1.55 0.35 -0.85 0.00 0.00 174.74 174.94 2wcf h PHE 24 N 5.87 0.00 -0.12 1.40 3.57 -1.93 -3.31 116.94 122.43 2wcf h PHE 24 Ca -0.43 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 60.85 2wcf h PHE 24 Cb 1.21 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.96 2wcf h PHE 24 CO 0.65 0.59 -0.78 -0.44 -2.23 0.00 0.00 178.31 176.09 2wcf h ASP 25 N 0.00 0.80 -4.21 0.41 3.32 -1.92 -3.44 116.42 111.38 2wcf h ASP 25 Ca -0.01 -0.53 -0.40 0.00 0.02 0.00 0.00 57.03 56.11 2wcf h ASP 25 Cb 1.23 -0.24 -0.09 0.00 0.22 0.00 0.00 39.33 40.46 2wcf h ASP 25 CO 0.08 1.32 -0.33 0.35 -1.72 0.00 0.00 179.24 178.93 2wcf n THR 26 N -3.90 0.00 -3.65 0.35 -2.24 -1.25 -4.18 114.28 99.42 2wcf n THR 26 Ca -0.07 -1.68 -0.11 0.00 -2.27 0.00 0.00 64.05 59.92 2wcf n THR 26 Cb 0.74 0.57 -0.11 0.00 -2.10 0.00 0.00 70.33 69.44 2wcf n THR 26 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2wcf s LEU 27 N 0.00 -0.48 0.27 3.22 2.96 0.33 -4.70 118.68 120.28 2wcf s LEU 27 Ca 0.13 0.78 -0.28 0.00 -0.22 0.00 0.00 54.13 54.54 2wcf s LEU 27 Cb 0.01 1.04 -0.15 0.00 0.50 0.00 0.00 46.19 47.59 2wcf s LEU 27 CO 0.09 -0.24 0.95 -1.54 -1.32 0.00 0.00 176.35 174.29 2wcf n SER 28 N 5.37 0.94 -0.26 3.68 3.41 -1.26 -0.86 113.62 124.64 2wcf n SER 28 Ca -0.07 1.17 0.07 0.00 -0.26 0.00 0.00 58.87 59.78 2wcf n SER 28 Cb 0.50 -1.24 0.20 0.00 -0.26 0.00 0.00 64.21 63.41 2wcf n SER 28 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2wcf h LYS 29 N 1.94 0.30 -0.48 4.33 1.57 -0.59 0.28 116.57 123.92 2wcf h LYS 29 Ca -0.38 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.47 2wcf h LYS 29 Cb 1.35 -0.07 -0.10 0.00 0.08 0.00 0.00 32.23 33.50 2wcf h LYS 29 CO 0.61 0.20 -0.30 0.78 -0.57 0.00 0.00 179.45 180.17 2wcf h GLY 30 N 0.31 -0.10 0.98 3.86 0.00 -1.32 0.18 103.07 106.98 2wcf h GLY 30 Ca 0.44 0.38 0.02 0.00 0.00 0.00 0.00 47.33 48.17 2wcf h GLY 30 CO -0.51 -0.21 0.66 0.83 0.00 0.00 0.00 176.54 177.31 2wcf h GLU 31 N -0.19 1.28 -0.15 4.80 5.08 -0.88 0.41 114.58 124.93 2wcf h GLU 31 Ca 0.21 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2wcf h GLU 31 Cb 0.52 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2wcf h GLU 31 CO -0.59 0.85 0.11 1.25 -1.00 0.00 0.00 179.01 179.63 2wcf h LEU 32 N 1.32 0.02 -0.09 1.33 5.85 0.21 0.58 115.31 124.52 2wcf h LEU 32 Ca 0.38 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.06 2wcf h LEU 32 Cb -0.10 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 2wcf h LEU 32 CO -0.09 0.01 -0.10 0.50 -0.34 0.00 0.00 178.44 178.42 2wcf h LYS 33 N 0.02 0.23 -0.84 1.25 3.64 0.12 -1.12 116.57 119.88 2wcf h LYS 33 Ca 0.07 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2wcf h LYS 33 Cb 0.26 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 2wcf h LYS 33 CO -0.00 0.66 0.53 0.37 -2.27 0.00 0.00 179.45 178.74 2wcf h GLN 34 N -0.19 1.12 0.64 1.90 4.15 -0.97 -1.65 115.11 120.12 2wcf h GLN 34 Ca 0.01 -0.08 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 2wcf h GLN 34 Cb 0.62 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 2wcf h GLN 34 CO 0.02 0.76 -0.38 1.25 -1.93 0.00 0.00 178.83 178.56 2wcf h LEU 35 N 1.14 -0.94 -0.84 -2.39 6.46 -0.50 -2.55 115.31 115.69 2wcf h LEU 35 Ca 0.30 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 58.08 2wcf h LEU 35 Cb -0.09 0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.07 2wcf h LEU 35 CO -0.06 -0.60 0.41 -0.07 -0.62 0.00 0.00 178.44 177.50 2wcf h LEU 36 N -0.95 1.10 -0.57 2.25 3.38 -0.87 0.19 115.31 119.84 2wcf h LEU 36 Ca -0.08 -0.13 0.12 0.00 0.09 0.00 0.00 57.88 57.87 2wcf h LEU 36 Cb 0.77 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 41.13 2wcf h LEU 36 CO 0.09 0.93 -0.02 0.74 0.09 0.00 0.00 178.44 180.27 2wcf h THR 37 N 1.20 0.52 0.00 0.22 2.02 -1.30 -1.67 112.91 113.90 2wcf h THR 37 Ca 0.29 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.41 2wcf h THR 37 Cb 0.11 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2wcf h THR 37 CO -0.04 0.02 -0.21 0.50 0.37 0.00 0.00 175.52 176.16 2wcf h LYS 38 N 0.09 0.00 0.00 6.66 3.64 -1.10 -3.16 116.57 122.71 2wcf h LYS 38 Ca 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2wcf h LYS 38 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2wcf h LYS 38 CO -0.50 0.38 0.00 0.39 -2.27 0.00 0.00 179.45 177.44 2wcf n GLU 39 N -4.67 0.06 -1.05 1.90 -0.58 0.02 -2.06 120.64 114.26 2wcf n GLU 39 Ca -0.07 0.23 0.04 0.00 -0.42 0.00 0.00 57.16 56.94 2wcf n GLU 39 Cb 0.25 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.69 2wcf n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2wcf n LEU 40 N -1.44 1.38 -0.34 -4.62 4.77 -0.63 -4.87 117.00 111.25 2wcf n LEU 40 Ca 0.04 -2.42 0.16 0.00 -0.03 0.00 0.00 56.01 53.76 2wcf n LEU 40 Cb 0.15 -0.16 0.36 0.00 -2.33 0.00 0.00 43.42 41.44 2wcf n LEU 40 CO 0.12 0.71 1.16 0.00 -1.33 0.00 0.00 177.39 178.06 2wcf h ALA 41 N 0.80 1.72 0.09 -1.18 0.00 -1.37 0.12 119.26 119.45 2wcf h ALA 41 Ca -0.13 0.11 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 2wcf h ALA 41 Cb 1.55 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 2wcf h ALA 41 CO 0.05 -0.21 -1.43 -0.91 0.00 0.00 0.00 179.25 176.76 2wcf h ASN 42 N 0.62 0.31 -0.40 0.00 2.35 -1.87 -3.05 115.58 113.55 2wcf h ASN 42 Ca 0.62 -0.82 0.08 0.00 -0.55 0.00 0.00 56.30 55.63 2wcf h ASN 42 Cb 1.11 -0.10 -0.09 0.00 0.05 0.00 0.00 38.32 39.29 2wcf h ASN 42 CO -0.45 1.61 -0.25 0.74 -1.65 0.00 0.00 177.43 177.43 2wcf h THR 43 N -0.38 0.33 -0.42 2.81 2.02 -1.64 -1.50 112.91 114.13 2wcf h THR 43 Ca -0.32 0.00 0.07 0.00 0.77 0.00 0.00 66.41 66.93 2wcf h THR 43 Cb 1.70 0.33 -0.06 0.00 -1.74 0.00 0.00 68.15 68.38 2wcf h THR 43 CO 0.02 0.00 0.04 0.40 0.37 0.00 0.00 175.52 176.35 2wcf h ILE 44 N -0.18 0.73 0.00 3.11 2.04 -0.84 0.26 117.51 122.64 2wcf h ILE 44 Ca 0.19 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.00 2wcf h ILE 44 Cb 0.48 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2wcf h ILE 44 CO -0.51 0.03 0.00 0.29 0.00 0.00 0.00 178.15 177.96 2wcf n LYS 45 N -5.15 0.00 -1.19 2.37 5.02 -0.60 -2.84 118.16 115.77 2wcf n LYS 45 Ca 0.03 0.41 -0.29 0.00 -2.02 0.00 0.00 58.31 56.44 2wcf n LYS 45 Cb 0.21 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.79 2wcf n LYS 45 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wcf n ASN 46 N -1.40 7.02 -1.92 4.39 4.13 0.92 -5.10 115.26 123.30 2wcf n ASN 46 Ca 0.00 -3.57 -0.08 0.00 1.68 0.00 0.00 54.58 52.61 2wcf n ASN 46 Cb 0.00 -0.98 -0.03 0.00 -1.54 0.00 0.00 39.78 37.23 2wcf n ASN 46 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2wcf n ILE 47 N -0.60 0.00 -0.79 2.41 5.41 -1.13 -4.23 119.36 120.43 2wcf n ILE 47 Ca 0.53 -0.99 0.00 0.00 1.00 0.00 0.00 62.75 63.30 2wcf n ILE 47 Cb 0.72 0.50 0.00 0.00 -0.71 0.00 0.00 39.64 40.15 2wcf n ILE 47 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2wcf n LYS 50 N -0.26 -0.05 -1.04 0.38 4.76 -1.26 -5.05 118.16 115.64 2wcf n LYS 50 Ca 0.03 -0.22 -0.01 0.00 -2.87 0.00 0.00 58.31 55.24 2wcf n LYS 50 Cb 0.25 -0.61 -0.02 0.00 -1.84 0.00 0.00 35.03 32.82 2wcf n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wcf n ALA 51 N -0.02 2.72 -0.02 7.82 0.00 -1.26 -4.76 120.51 124.99 2wcf n ALA 51 Ca 0.00 -1.27 -0.09 0.00 0.00 0.00 0.00 53.44 52.09 2wcf n ALA 51 Cb 0.24 -0.47 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 2wcf n ALA 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wcf h VAL 52 N 6.06 0.61 -0.29 0.00 2.07 -1.99 -2.49 116.25 120.23 2wcf h VAL 52 Ca -0.28 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.31 2wcf h VAL 52 Cb 1.54 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 31.84 2wcf h VAL 52 CO -0.06 0.00 -0.17 0.40 0.02 0.00 0.00 177.57 177.76 2wcf h ILE 53 N -0.15 0.51 -0.98 4.57 2.04 -1.98 0.17 117.51 121.69 2wcf h ILE 53 Ca 0.11 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.22 2wcf h ILE 53 Cb 0.31 0.51 -0.13 0.00 -0.74 0.00 0.00 36.82 36.77 2wcf h ILE 53 CO -0.26 0.00 0.54 0.44 0.00 0.00 0.00 178.15 178.86 2wcf h ASP 54 N -0.14 0.55 0.05 1.72 3.45 -1.85 0.62 116.42 120.82 2wcf h ASP 54 Ca 0.15 0.15 -0.00 0.00 0.43 0.00 0.00 57.03 57.76 2wcf h ASP 54 Cb 0.37 0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.22 2wcf h ASP 54 CO -0.37 0.03 -0.02 -0.33 -1.57 0.00 0.00 179.24 176.98 2wcf h GLU 55 N 0.49 -0.06 -0.04 3.56 4.39 -0.31 0.19 114.58 122.80 2wcf h GLU 55 Ca 0.64 0.00 0.01 0.00 0.34 0.00 0.00 59.36 60.35 2wcf h GLU 55 Cb 1.26 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 2wcf h GLU 55 CO -0.51 0.24 -0.19 0.82 -1.16 0.00 0.00 179.01 178.21 2wcf h ILE 56 N -0.36 0.00 0.00 3.13 2.04 0.35 -1.72 117.51 120.95 2wcf h ILE 56 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2wcf h ILE 56 Cb 0.33 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2wcf h ILE 56 CO 0.01 0.00 -0.03 -0.26 0.00 0.00 0.00 178.15 177.87 2wcf h PHE 57 N -0.20 0.00 -0.33 1.37 0.04 0.23 0.82 116.94 118.88 2wcf h PHE 57 Ca 0.01 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.60 2wcf h PHE 57 Cb 0.24 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.38 2wcf h PHE 57 CO -0.48 0.03 -0.48 1.96 -0.60 0.00 0.00 178.31 178.74 2wcf h GLN 58 N 0.00 0.90 -0.28 1.51 7.50 -0.40 -2.45 115.11 121.90 2wcf h GLN 58 Ca -0.00 -0.53 0.02 0.00 0.50 0.00 0.00 58.65 58.64 2wcf h GLN 58 Cb 0.07 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.63 2wcf h GLN 58 CO 0.00 1.17 0.18 0.78 -1.50 0.00 0.00 178.83 179.47 2wcf h GLY 59 N 0.73 0.31 1.82 3.46 0.00 0.09 -1.23 103.07 108.26 2wcf h GLY 59 Ca 0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 2wcf h GLY 59 CO 0.11 0.10 -0.43 1.41 0.00 0.00 0.00 176.54 177.73 2wcf h LEU 60 N 0.28 0.00 0.00 3.11 3.38 -0.99 -3.15 115.31 117.94 2wcf h LEU 60 Ca 0.11 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.71 2wcf h LEU 60 Cb 0.10 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 2wcf h LEU 60 CO -0.02 0.27 -2.42 0.47 0.09 0.00 0.00 178.44 176.82 2wcf n ASP 61 N -3.10 1.36 -0.03 -0.43 9.92 -0.98 -1.25 116.55 122.04 2wcf n ASP 61 Ca 0.02 -0.09 -0.03 0.00 -0.53 0.00 0.00 54.79 54.16 2wcf n ASP 61 Cb 0.65 0.08 -0.02 0.00 -0.64 0.00 0.00 41.12 41.18 2wcf n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wcf h ALA 62 N 0.34 -0.40 -1.03 2.24 0.00 -1.37 -2.31 119.26 116.72 2wcf h ALA 62 Ca -0.56 -0.00 -0.77 0.00 0.00 0.00 0.00 54.91 53.57 2wcf h ALA 62 Cb 2.00 0.78 -0.27 0.00 0.00 0.00 0.00 17.79 20.31 2wcf h ALA 62 CO -0.05 -0.45 1.06 0.09 0.00 0.00 0.00 179.25 179.91 2wcf n ASN 63 N -3.22 7.51 0.26 0.00 3.02 -1.19 -4.71 115.26 116.93 2wcf n ASN 63 Ca -0.01 -3.82 0.17 0.00 -0.03 0.00 0.00 54.58 50.90 2wcf n ASN 63 Cb 0.07 -1.09 0.91 0.00 -0.61 0.00 0.00 39.78 39.06 2wcf n ASN 63 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 2wcf h GLN 64 N 3.18 0.00 -0.01 3.52 3.07 -0.58 -1.22 115.11 123.06 2wcf h GLN 64 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.31 2wcf h GLN 64 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.63 2wcf h GLN 64 CO 1.40 0.00 -0.18 -0.25 0.09 0.00 0.00 178.83 179.89 2wcf n ASP 65 N -2.68 0.97 -4.77 0.06 8.00 -1.26 -1.26 116.55 115.60 2wcf n ASP 65 Ca -0.02 -0.92 -0.39 0.00 0.71 0.00 0.00 54.79 54.16 2wcf n ASP 65 Cb 0.07 0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.18 2wcf n ASP 65 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2wcf s GLU 66 N -2.41 4.49 -0.08 -1.24 8.01 -0.46 -4.73 118.70 122.28 2wcf s GLU 66 Ca 0.28 1.06 -0.25 0.00 0.01 0.00 0.00 54.97 56.07 2wcf s GLU 66 Cb 0.20 -3.28 -0.03 0.00 -4.31 0.00 0.00 34.13 26.70 2wcf s GLU 66 CO 0.48 0.51 0.80 -0.65 0.01 0.00 0.00 175.26 176.40 2wcf s GLN 67 N -0.85 4.42 0.11 1.61 -1.52 -1.26 -0.20 119.66 121.96 2wcf s GLN 67 Ca 0.35 1.03 0.10 0.00 -1.95 0.00 0.00 55.36 54.90 2wcf s GLN 67 Cb -0.22 -3.49 -0.04 0.00 -0.22 0.00 0.00 33.01 29.05 2wcf s GLN 67 CO 0.24 -0.07 -0.26 0.14 -0.25 0.00 0.00 175.29 175.09 2wcf s VAL 68 N 1.23 2.19 0.56 1.09 -7.23 -0.04 -4.88 120.40 113.32 2wcf s VAL 68 Ca 0.41 -1.65 0.08 0.00 -1.81 0.00 0.00 61.98 59.01 2wcf s VAL 68 Cb -0.18 -1.93 0.08 0.00 0.56 0.00 0.00 36.38 34.91 2wcf s VAL 68 CO 0.19 0.15 0.68 -0.90 -0.31 0.00 0.00 175.10 174.91 2wcf n ASP 69 N 1.14 2.28 -0.25 4.85 5.68 -1.26 -0.51 116.55 128.46 2wcf n ASP 69 Ca -0.18 -2.62 0.11 0.00 -0.50 0.00 0.00 54.79 51.60 2wcf n ASP 69 Cb 0.53 -0.31 0.38 0.00 -1.14 0.00 0.00 41.12 40.57 2wcf n ASP 69 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2wcf h PHE 70 N 0.26 0.80 0.05 2.11 3.57 -1.99 -1.45 116.94 120.29 2wcf h PHE 70 Ca -0.29 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.23 2wcf h PHE 70 Cb 1.24 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.72 2wcf h PHE 70 CO 0.00 0.32 -0.05 1.96 -2.23 0.00 0.00 178.31 178.31 2wcf h GLN 71 N 0.70 -0.10 -0.26 1.11 4.20 -1.96 -1.40 115.11 117.40 2wcf h GLN 71 Ca 0.42 0.01 -0.10 0.00 0.06 0.00 0.00 58.65 59.04 2wcf h GLN 71 Cb 0.65 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 2wcf h GLN 71 CO -0.19 -0.07 -0.26 1.49 -0.67 0.00 0.00 178.83 179.14 2wcf h GLU 72 N -0.10 0.50 -0.26 1.46 4.57 -1.82 -1.75 114.58 117.18 2wcf h GLU 72 Ca 0.00 -0.20 -0.04 0.00 -1.18 0.00 0.00 59.36 57.94 2wcf h GLU 72 Cb 0.10 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 2wcf h GLU 72 CO -0.01 0.73 -0.00 0.35 -1.18 0.00 0.00 179.01 178.89 2wcf h PHE 73 N 0.44 0.51 -0.12 0.92 3.57 -1.15 -1.52 116.94 119.59 2wcf h PHE 73 Ca 0.06 -0.09 -0.11 0.00 3.53 0.00 0.00 57.97 61.37 2wcf h PHE 73 Cb 0.69 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 2wcf h PHE 73 CO 0.02 0.62 -0.40 0.97 -2.23 0.00 0.00 178.31 177.30 2wcf h ILE 74 N 0.25 1.30 0.07 1.41 6.09 -0.92 -1.19 117.51 124.52 2wcf h ILE 74 Ca 0.07 -1.49 -0.00 0.00 -1.37 0.00 0.00 64.86 62.07 2wcf h ILE 74 Cb 0.42 1.65 0.00 0.00 0.47 0.00 0.00 36.82 39.36 2wcf h ILE 74 CO 0.01 0.45 -0.04 -1.28 -3.07 0.00 0.00 178.15 174.23 2wcf h SER 75 N 0.23 -0.08 -0.70 2.19 0.87 -1.08 0.11 113.55 115.09 2wcf h SER 75 Ca 0.02 -0.12 0.05 0.00 -1.23 0.00 0.00 61.79 60.52 2wcf h SER 75 Cb 0.80 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.73 2wcf h SER 75 CO 0.06 0.07 0.41 -0.07 -0.53 0.00 0.00 176.83 176.77 2wcf h LEU 76 N -0.24 0.62 -0.47 2.23 3.38 -0.76 0.12 115.31 120.20 2wcf h LEU 76 Ca -0.01 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2wcf h LEU 76 Cb 0.20 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2wcf h LEU 76 CO 0.02 0.40 0.22 0.58 0.09 0.00 0.00 178.44 179.75 2wcf h VAL 77 N 0.75 0.95 -0.17 1.22 2.07 -0.79 0.19 116.25 120.47 2wcf h VAL 77 Ca 0.31 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 2wcf h VAL 77 Cb 0.16 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2wcf h VAL 77 CO -0.17 0.08 0.09 0.00 0.02 0.00 0.00 177.57 177.59 2wcf h ALA 78 N 1.26 0.22 -0.41 1.67 0.00 0.20 -0.14 119.26 122.07 2wcf h ALA 78 Ca 0.20 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.13 2wcf h ALA 78 Cb 0.13 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.76 2wcf h ALA 78 CO -0.15 -0.23 -0.24 0.82 0.00 0.00 0.00 179.25 179.44 2wcf h ILE 79 N 0.16 0.34 -0.94 0.00 2.04 0.33 0.15 117.51 119.60 2wcf h ILE 79 Ca 0.06 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.11 2wcf h ILE 79 Cb 0.09 0.34 -0.08 0.00 -0.74 0.00 0.00 36.82 36.44 2wcf h ILE 79 CO -0.01 0.00 0.60 0.00 0.00 0.00 0.00 178.15 178.75 2wcf h ALA 80 N 1.03 2.02 0.00 1.87 0.00 0.91 -0.98 119.26 124.10 2wcf h ALA 80 Ca 0.19 0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.94 2wcf h ALA 80 Cb 0.48 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2wcf h ALA 80 CO -0.51 -0.32 -0.94 -0.07 0.00 0.00 0.00 179.25 177.40 2wcf h LEU 81 N 0.54 0.00 -1.20 0.00 3.38 0.87 -2.26 115.31 116.65 2wcf h LEU 81 Ca 0.50 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.55 2wcf h LEU 81 Cb 1.05 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.74 2wcf h LEU 81 CO -0.24 0.94 0.57 0.11 0.09 0.00 0.00 178.44 179.91 2wcf h LYS 82 N 0.00 0.90 0.01 1.13 1.79 0.47 0.61 116.57 121.48 2wcf h LYS 82 Ca -0.01 -0.05 -0.21 0.00 -2.18 0.00 0.00 60.65 58.20 2wcf h LYS 82 Cb 1.67 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 32.11 2wcf h LYS 82 CO 0.12 0.59 -0.91 0.00 -1.08 0.00 0.00 179.45 178.18 2wcf h ALA 83 N 1.54 0.47 0.00 3.86 0.00 -1.16 -2.20 119.26 121.78 2wcf h ALA 83 Ca 0.39 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2wcf h ALA 83 Cb 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2wcf h ALA 83 CO -0.16 0.91 0.00 0.00 0.00 0.00 0.00 179.25 180.01 2wcf n ALA 84 N -2.47 2.38 -2.37 0.00 0.00 -0.89 -4.64 120.51 112.52 2wcf n ALA 84 Ca -0.04 -0.14 -0.19 0.00 0.00 0.00 0.00 53.44 53.07 2wcf n ALA 84 Cb 0.83 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 2wcf n ALA 84 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wcf n HIS 85 N -0.95 -1.04 -2.00 0.00 -0.00 -0.83 -1.73 115.22 108.66 2wcf n HIS 85 Ca 0.16 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.75 2wcf n HIS 85 Cb 0.08 -3.73 -0.02 0.00 -0.00 0.00 0.00 29.99 26.31 2wcf n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2wcf n TYR 86 N -3.83 -0.46 -3.96 4.41 4.01 0.21 -5.00 117.16 112.54 2wcf n TYR 86 Ca -0.23 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.16 2wcf n TYR 86 Cb 0.67 -2.80 -0.10 0.00 -0.31 0.00 0.00 39.34 36.80 2wcf n TYR 86 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 2wcf s HIS 87 N -2.63 3.22 -0.05 -0.72 3.76 -0.71 -4.99 115.29 113.17 2wcf s HIS 87 Ca 0.00 -0.01 0.07 0.00 -0.15 0.00 0.00 55.06 54.97 2wcf s HIS 87 Cb 0.00 -2.11 0.11 0.00 1.11 0.00 0.00 32.58 31.69 2wcf s HIS 87 CO 0.00 0.05 1.04 0.25 -0.85 0.00 0.00 174.74 175.23 2wcf n THR 88 N 3.83 1.29 0.44 1.30 -2.24 -1.26 -4.64 114.28 112.98 2wcf n THR 88 Ca -0.16 -1.43 0.05 0.00 -2.27 0.00 0.00 64.05 60.23 2wcf n THR 88 Cb 0.52 0.23 0.04 0.00 -2.10 0.00 0.00 70.33 69.02 2wcf n THR 88 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91