#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wcf n LYS 2 N 0.00 0.00 -0.17 -0.78 3.00 -1.26 -4.48 118.16 114.48 2wcf n LYS 2 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.18 2wcf n LYS 2 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 2wcf n LYS 2 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2wcf h LEU 3 N 0.00 -1.84 -0.77 3.14 5.85 -2.05 0.55 115.31 120.19 2wcf h LEU 3 Ca 0.00 0.25 0.15 0.00 0.84 0.00 0.00 57.88 59.12 2wcf h LEU 3 Cb 0.00 0.77 -0.14 0.00 0.37 0.00 0.00 40.66 41.65 2wcf h LEU 3 CO 0.00 -0.38 -0.25 -0.33 -0.34 0.00 0.00 178.44 177.14 2wcf h GLU 4 N -0.35 -0.03 -0.15 1.25 5.08 -1.99 0.12 114.58 118.50 2wcf h GLU 4 Ca 0.09 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 2wcf h GLU 4 Cb 0.58 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 2wcf h GLU 4 CO -0.63 -0.02 -0.18 0.93 -1.00 0.00 0.00 179.01 178.10 2wcf h GLU 5 N -0.04 -0.21 -0.78 2.33 5.08 -1.39 0.72 114.58 120.29 2wcf h GLU 5 Ca 0.35 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.69 2wcf h GLU 5 Cb 0.58 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 2wcf h GLU 5 CO -0.81 -0.14 0.34 0.45 -1.00 0.00 0.00 179.01 177.86 2wcf h HIS 6 N -0.22 1.14 -0.15 4.33 3.86 0.15 -1.37 115.15 122.88 2wcf h HIS 6 Ca 0.11 -0.06 -0.09 0.00 -1.16 0.00 0.00 60.37 59.16 2wcf h HIS 6 Cb 0.38 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 2wcf h HIS 6 CO -0.30 0.84 -0.30 -0.07 0.86 0.00 0.00 177.93 178.96 2wcf h LEU 7 N 1.11 0.28 -0.65 2.43 3.38 -0.26 -1.64 115.31 119.96 2wcf h LEU 7 Ca 0.26 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.22 2wcf h LEU 7 Cb 0.16 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 2wcf h LEU 7 CO -0.03 0.57 0.31 -0.08 0.09 0.00 0.00 178.44 179.31 2wcf h GLU 8 N 0.25 0.53 0.20 1.13 4.81 0.14 -1.09 114.58 120.55 2wcf h GLU 8 Ca 0.04 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2wcf h GLU 8 Cb 0.65 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.91 2wcf h GLU 8 CO 0.05 0.35 -0.10 0.78 -0.73 0.00 0.00 179.01 179.36 2wcf h GLY 9 N 0.55 -0.28 0.53 1.92 0.00 -0.35 -2.25 103.07 103.19 2wcf h GLY 9 Ca 0.32 0.10 0.10 0.00 0.00 0.00 0.00 47.33 47.85 2wcf h GLY 9 CO -0.25 -0.10 0.52 -2.22 0.00 0.00 0.00 176.54 174.48 2wcf h ILE 10 N -0.34 0.93 0.25 2.60 2.04 -1.33 -1.68 117.51 119.97 2wcf h ILE 10 Ca -0.03 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 2wcf h ILE 10 Cb 0.27 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2wcf h ILE 10 CO 0.05 0.16 -0.13 0.58 0.00 0.00 0.00 178.15 178.80 2wcf h VAL 11 N 0.86 0.73 -0.60 1.67 2.07 -0.79 0.58 116.25 120.78 2wcf h VAL 11 Ca 0.42 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.04 2wcf h VAL 11 Cb 0.37 0.73 -0.11 0.00 -1.52 0.00 0.00 31.29 30.76 2wcf h VAL 11 CO -0.24 0.00 -0.35 0.78 0.02 0.00 0.00 177.57 177.78 2wcf h ASN 12 N -0.35 -1.20 -0.22 0.57 2.35 -0.90 0.82 115.58 116.65 2wcf h ASN 12 Ca -0.03 0.23 0.03 0.00 -0.55 0.00 0.00 56.30 55.98 2wcf h ASN 12 Cb 0.28 0.59 -0.03 0.00 0.05 0.00 0.00 38.32 39.20 2wcf h ASN 12 CO 0.05 -0.31 0.01 0.40 -1.65 0.00 0.00 177.43 175.93 2wcf h ILE 13 N -0.17 0.86 -0.01 2.81 2.04 -0.62 0.16 117.51 122.58 2wcf h ILE 13 Ca 0.23 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.06 2wcf h ILE 13 Cb 0.55 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2wcf h ILE 13 CO -0.69 0.02 0.01 0.15 0.00 0.00 0.00 178.15 177.64 2wcf h PHE 14 N 0.09 0.00 0.00 1.37 3.57 -0.07 0.26 116.94 122.16 2wcf h PHE 14 Ca 0.10 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 2wcf h PHE 14 Cb 0.12 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2wcf h PHE 14 CO -0.18 0.00 -0.30 0.45 -2.23 0.00 0.00 178.31 176.06 2wcf h HIS 15 N 0.00 0.00 0.00 0.41 3.86 0.17 -2.22 115.15 117.37 2wcf h HIS 15 Ca 0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2wcf h HIS 15 Cb 0.03 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 2wcf h HIS 15 CO 0.00 0.30 -0.06 1.96 0.86 0.00 0.00 177.93 180.98 2wcf h GLN 16 N 0.00 0.00 0.06 2.45 4.20 0.11 -1.26 115.11 120.68 2wcf h GLN 16 Ca -0.00 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.35 2wcf h GLN 16 Cb 1.04 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.79 2wcf h GLN 16 CO 0.04 0.06 -2.06 0.66 -0.67 0.00 0.00 178.83 176.86 2wcf n TYR 17 N -3.27 0.86 0.85 2.96 4.02 -1.07 -4.22 117.16 117.29 2wcf n TYR 17 Ca -0.01 0.22 0.13 0.00 -0.01 0.00 0.00 57.90 58.23 2wcf n TYR 17 Cb 0.27 -1.12 0.51 0.00 -0.02 0.00 0.00 39.34 38.97 2wcf n TYR 17 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2wcf n SER 18 N -3.28 0.34 0.12 7.72 3.41 -0.86 -2.61 113.62 118.46 2wcf n SER 18 Ca -0.31 0.47 0.03 0.00 -0.26 0.00 0.00 58.87 58.80 2wcf n SER 18 Cb 1.05 -0.54 0.01 0.00 -0.26 0.00 0.00 64.21 64.47 2wcf n SER 18 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2wcf h VAL 19 N 0.00 0.65 0.00 -3.33 2.07 -1.42 -3.35 116.25 110.88 2wcf h VAL 19 Ca 0.00 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.53 2wcf h VAL 19 Cb 0.59 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 2wcf h VAL 19 CO 0.00 0.37 0.30 0.03 0.02 0.00 0.00 177.57 178.29 2wcf h ARG 20 N 0.00 0.00 0.00 1.57 2.47 -1.68 -3.49 114.38 113.25 2wcf h ARG 20 Ca -0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2wcf h ARG 20 Cb 1.38 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.70 2wcf h ARG 20 CO 0.05 0.00 0.00 1.63 0.56 0.00 0.00 179.97 182.21 2wcf n LYS 21 N -2.65 0.00 0.00 0.04 4.76 -1.26 -5.18 118.16 113.87 2wcf n LYS 21 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2wcf n LYS 21 Cb 0.34 -0.02 0.00 0.00 -1.84 0.00 0.00 35.03 33.51 2wcf n LYS 21 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2wcf n PHE 24 N -0.50 0.00 -0.18 2.13 -0.00 -1.25 -5.15 117.46 112.51 2wcf n PHE 24 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.57 2wcf n PHE 24 Cb 0.00 0.00 0.30 0.00 -0.00 0.00 0.00 39.48 39.78 2wcf n PHE 24 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 2wcf n ASP 25 N -1.23 3.81 -4.36 -2.13 3.85 -1.26 -4.51 116.55 110.70 2wcf n ASP 25 Ca 0.00 -2.00 -0.21 0.00 -0.71 0.00 0.00 54.79 51.88 2wcf n ASP 25 Cb 0.07 -0.43 -0.10 0.00 -1.35 0.00 0.00 41.12 39.30 2wcf n ASP 25 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 2wcf s THR 26 N -1.13 1.91 -0.00 2.12 -4.23 -1.26 -4.21 115.64 108.83 2wcf s THR 26 Ca 0.47 -2.14 -0.05 0.00 -1.18 0.00 0.00 61.69 58.79 2wcf s THR 26 Cb 0.25 -2.02 -0.00 0.00 1.34 0.00 0.00 72.50 72.07 2wcf s THR 26 CO 0.33 -0.45 0.10 -1.48 -0.54 0.00 0.00 174.62 172.57 2wcf s LEU 27 N -3.11 1.70 0.65 4.79 2.34 0.19 -4.67 118.68 120.57 2wcf s LEU 27 Ca 0.21 -0.17 -0.17 0.00 0.06 0.00 0.00 54.13 54.06 2wcf s LEU 27 Cb -0.03 0.50 -0.03 0.00 -0.56 0.00 0.00 46.19 46.07 2wcf s LEU 27 CO 0.08 -0.29 0.94 -1.54 -1.06 0.00 0.00 176.35 174.49 2wcf n SER 28 N 1.81 0.56 -0.33 1.48 3.41 -1.26 0.86 113.62 120.15 2wcf n SER 28 Ca -0.21 0.74 -0.03 0.00 -0.26 0.00 0.00 58.87 59.11 2wcf n SER 28 Cb 0.56 -1.39 0.09 0.00 -0.26 0.00 0.00 64.21 63.21 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 0.16 1.18 -0.67 4.33 1.57 0.35 0.90 116.57 124.39 2wcf h LYS 29 Ca -0.48 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.28 2wcf h LYS 29 Cb 1.35 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 2wcf h LYS 29 CO 0.49 0.79 0.44 0.78 -0.57 0.00 0.00 179.45 181.38 2wcf h GLY 30 N 1.21 0.86 1.21 3.86 0.00 -1.71 0.51 103.07 109.01 2wcf h GLY 30 Ca 0.32 -0.27 -0.23 0.00 0.00 0.00 0.00 47.33 47.16 2wcf h GLY 30 CO -0.07 0.20 -0.81 0.83 0.00 0.00 0.00 176.54 176.70 2wcf h GLU 31 N 0.68 0.76 -0.34 4.80 5.08 -1.20 -0.94 114.58 123.43 2wcf h GLU 31 Ca 0.29 -0.64 -0.04 0.00 -1.00 0.00 0.00 59.36 57.97 2wcf h GLU 31 Cb 0.27 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2wcf h GLU 31 CO -0.09 1.25 0.06 -0.07 -1.00 0.00 0.00 179.01 179.16 2wcf h LEU 32 N 0.51 0.53 -0.62 1.33 3.38 0.59 0.77 115.31 121.81 2wcf h LEU 32 Ca -0.06 -0.25 0.12 0.00 0.09 0.00 0.00 57.88 57.78 2wcf h LEU 32 Cb 1.44 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.93 2wcf h LEU 32 CO 0.16 0.65 -0.18 0.07 0.09 0.00 0.00 178.44 179.23 2wcf h LYS 33 N 0.39 -0.03 -0.16 1.13 -0.00 0.01 0.29 116.57 118.20 2wcf h LYS 33 Ca 0.10 0.00 0.05 0.00 -0.00 0.00 0.00 60.65 60.80 2wcf h LYS 33 Cb 0.34 0.01 -0.06 0.00 -0.00 0.00 0.00 32.23 32.52 2wcf h LYS 33 CO 0.01 -0.02 -0.20 0.37 -0.00 0.00 0.00 179.45 179.61 2wcf h GLN 34 N -0.03 -0.23 -0.44 0.07 4.15 -0.42 -2.62 115.11 115.59 2wcf h GLN 34 Ca 0.29 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.82 2wcf h GLN 34 Cb 0.48 0.05 -0.09 0.00 0.21 0.00 0.00 27.48 28.13 2wcf h GLN 34 CO -0.65 -0.15 -0.19 1.25 -1.93 0.00 0.00 178.83 177.15 2wcf h LEU 35 N -0.24 -0.66 -1.27 -2.39 7.12 0.33 -0.91 115.31 117.28 2wcf h LEU 35 Ca 0.11 0.16 -0.03 0.00 0.13 0.00 0.00 57.88 58.26 2wcf h LEU 35 Cb 0.40 0.37 -0.02 0.00 -0.53 0.00 0.00 40.66 40.88 2wcf h LEU 35 CO -0.30 -0.22 0.20 -0.07 -0.13 0.00 0.00 178.44 177.92 2wcf h LEU 36 N -0.10 0.64 0.75 2.25 3.38 -0.28 -0.58 115.31 121.37 2wcf h LEU 36 Ca 0.21 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2wcf h LEU 36 Cb 0.43 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.02 2wcf h LEU 36 CO -0.51 0.57 -0.36 0.74 0.09 0.00 0.00 178.44 178.97 2wcf h THR 37 N 0.70 0.14 0.00 0.22 2.02 -0.82 0.56 112.91 115.74 2wcf h THR 37 Ca 0.17 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2wcf h THR 37 Cb 0.13 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2wcf h THR 37 CO -0.02 0.01 0.00 1.17 0.37 0.00 0.00 175.52 177.05 2wcf n LYS 38 N -5.47 0.13 -0.00 6.66 4.81 -1.01 -2.94 118.16 120.33 2wcf n LYS 38 Ca -0.13 0.26 0.01 0.00 -0.87 0.00 0.00 58.31 57.57 2wcf n LYS 38 Cb 0.41 -1.70 -0.01 0.00 0.02 0.00 0.00 35.03 33.75 2wcf n LYS 38 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2wcf n GLU 39 N -1.93 4.92 -0.00 1.64 -0.58 -0.24 -4.68 120.64 119.78 2wcf n GLU 39 Ca 0.04 -0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.83 2wcf n GLU 39 Cb 0.28 -0.69 -0.07 0.00 -0.57 0.00 0.00 31.44 30.40 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 -1.16 0.34 0.00 -4.62 4.77 0.19 -4.87 117.00 111.65 2wcf n LEU 40 Ca 0.00 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 2wcf n LEU 40 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2wcf n LEU 40 CO 0.03 0.08 0.00 0.00 -1.33 0.00 0.00 177.39 176.18 2wcf n ALA 41 N -1.47 0.00 0.33 -1.18 0.00 -1.15 0.15 120.51 117.18 2wcf n ALA 41 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 2wcf n ALA 41 Cb 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.60 2wcf n ALA 41 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2wcf h ASN 42 N 0.00 -0.71 -0.97 0.00 2.35 -1.89 0.83 115.58 115.18 2wcf h ASN 42 Ca 0.00 0.02 0.29 0.00 -0.55 0.00 0.00 56.30 56.07 2wcf h ASN 42 Cb 0.00 0.18 -0.18 0.00 0.05 0.00 0.00 38.32 38.38 2wcf h ASN 42 CO 0.00 -0.47 0.15 0.74 -1.65 0.00 0.00 177.43 176.20 2wcf h THR 43 N -0.92 0.06 -0.40 2.81 2.02 -0.44 0.17 112.91 116.22 2wcf h THR 43 Ca -0.09 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 2wcf h THR 43 Cb 0.64 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2wcf h THR 43 CO 0.14 0.01 0.10 0.40 0.37 0.00 0.00 175.52 176.53 2wcf h ILE 44 N 0.04 1.23 0.00 3.11 2.04 -1.13 -0.68 117.51 122.11 2wcf h ILE 44 Ca 0.64 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2wcf h ILE 44 Cb 1.40 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 38.46 2wcf h ILE 44 CO -0.85 0.27 -0.06 0.11 0.00 0.00 0.00 178.15 177.62 2wcf h LYS 45 N 0.50 0.00 0.00 2.37 1.79 0.18 -3.05 116.57 118.37 2wcf h LYS 45 Ca 0.13 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.56 2wcf h LYS 45 Cb 0.31 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 2wcf h LYS 45 CO 0.00 0.06 -0.84 -0.91 -1.08 0.00 0.00 179.45 176.68 2wcf h ASN 46 N 0.00 0.00 -2.29 0.86 2.35 -0.22 -3.43 115.58 112.84 2wcf h ASN 46 Ca -0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 2wcf h ASN 46 Cb 0.37 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 2wcf h ASN 46 CO 0.01 0.11 1.39 -0.63 -1.65 0.00 0.00 177.43 176.66 2wcf s ILE 47 N -3.25 3.25 0.11 2.81 1.09 -0.35 -4.75 121.20 120.11 2wcf s ILE 47 Ca 0.01 0.25 -0.10 0.00 -1.10 0.00 0.00 60.65 59.70 2wcf s ILE 47 Cb 0.08 -3.36 -0.17 0.00 -1.06 0.00 0.00 42.46 37.95 2wcf s ILE 47 CO 0.77 -0.25 1.30 0.11 -0.10 0.00 0.00 174.94 176.77 2wcf h LYS 48 N 14.32 0.68 -5.75 2.79 1.57 -1.85 -3.37 116.57 124.97 2wcf h LYS 48 Ca -0.36 -0.61 -0.38 0.00 -1.87 0.00 0.00 60.65 57.43 2wcf h LYS 48 Cb 1.20 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 33.60 2wcf h LYS 48 CO 1.02 1.22 1.03 0.34 -0.57 0.00 0.00 179.45 182.49 2wcf s ASP 49 N -7.13 5.48 0.00 0.86 3.68 -1.26 -4.82 116.67 113.48 2wcf s ASP 49 Ca -0.09 -1.12 0.02 0.00 2.13 0.00 0.00 52.55 53.49 2wcf s ASP 49 Cb 0.09 -2.57 0.10 0.00 -1.45 0.00 0.00 42.92 39.08 2wcf s ASP 49 CO 0.90 -2.48 0.97 2.29 0.13 0.00 0.00 175.17 176.98 2wcf n LYS 50 N 8.72 0.01 -1.46 4.34 -0.00 -1.26 -2.87 118.16 125.65 2wcf n LYS 50 Ca 0.40 0.37 -0.35 0.00 -0.00 0.00 0.00 58.31 58.73 2wcf n LYS 50 Cb 0.48 -1.50 0.07 0.00 -0.00 0.00 0.00 35.03 34.08 2wcf n LYS 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wcf n ALA 51 N -1.40 6.25 0.00 0.58 0.00 -1.26 -2.22 120.51 122.46 2wcf n ALA 51 Ca 0.01 -3.58 0.00 0.00 0.00 0.00 0.00 53.44 49.86 2wcf n ALA 51 Cb 0.02 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2wcf n ALA 51 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2wcf n VAL 52 N -0.86 0.00 0.54 0.00 3.14 -1.14 -4.13 118.33 115.89 2wcf n VAL 52 Ca 0.60 0.00 0.13 0.00 -2.96 0.00 0.00 64.34 62.11 2wcf n VAL 52 Cb 0.64 -0.89 0.35 0.00 -1.06 0.00 0.00 33.84 32.88 2wcf n VAL 52 CO 0.00 0.00 0.00 0.16 -6.46 0.00 0.00 176.83 170.53 2wcf h ILE 53 N 0.00 0.00 0.33 1.55 -2.65 -1.79 -2.27 117.51 112.69 2wcf h ILE 53 Ca 0.00 -0.59 -0.00 0.00 1.03 0.00 0.00 64.86 65.30 2wcf h ILE 53 Cb 0.58 1.58 -0.02 0.00 -2.05 0.00 0.00 36.82 36.91 2wcf h ILE 53 CO 0.00 0.00 -0.32 -2.24 0.03 0.00 0.00 178.15 175.62 2wcf h ASP 54 N 0.00 -0.86 0.02 2.16 2.03 -1.67 -1.08 116.42 117.02 2wcf h ASP 54 Ca 0.00 0.07 0.01 0.00 -0.73 0.00 0.00 57.03 56.39 2wcf h ASP 54 Cb 0.79 0.29 -0.02 0.00 -0.83 0.00 0.00 39.33 39.56 2wcf h ASP 54 CO 0.00 -0.46 -0.10 -0.33 -1.03 0.00 0.00 179.24 177.32 2wcf h GLU 55 N -0.68 -0.18 -0.33 4.15 5.08 -1.70 -3.03 114.58 117.89 2wcf h GLU 55 Ca -0.02 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2wcf h GLU 55 Cb 0.61 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 2wcf h GLU 55 CO -0.06 -0.12 -0.16 0.82 -1.00 0.00 0.00 179.01 178.49 2wcf h ILE 56 N -0.19 1.25 -0.11 3.13 2.04 -1.31 -2.00 117.51 120.32 2wcf h ILE 56 Ca 0.03 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 64.70 2wcf h ILE 56 Cb 0.23 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2wcf h ILE 56 CO -0.09 0.38 -0.07 -0.26 0.00 0.00 0.00 178.15 178.12 2wcf h PHE 57 N 0.54 0.28 -0.45 1.37 -1.00 -1.20 -1.65 116.94 114.84 2wcf h PHE 57 Ca 0.09 -0.07 -0.05 0.00 2.81 0.00 0.00 57.97 60.74 2wcf h PHE 57 Cb 0.59 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 40.07 2wcf h PHE 57 CO 0.02 0.61 0.06 1.96 -1.61 0.00 0.00 178.31 179.35 2wcf h GLN 58 N -0.13 0.70 -0.10 1.51 7.50 -1.48 -3.03 115.11 120.08 2wcf h GLN 58 Ca 0.02 -0.15 0.04 0.00 0.50 0.00 0.00 58.65 59.06 2wcf h GLN 58 Cb 0.54 -0.10 -0.06 0.00 0.05 0.00 0.00 27.48 27.91 2wcf h GLN 58 CO 0.02 0.68 -0.42 0.78 -1.50 0.00 0.00 178.83 178.38 2wcf h GLY 59 N 0.91 -0.72 0.00 3.46 0.00 -1.04 -2.08 103.07 103.61 2wcf h GLY 59 Ca 0.14 0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.99 2wcf h GLY 59 CO 0.01 -0.23 0.00 1.04 0.00 0.00 0.00 176.54 177.36 2wcf n LEU 60 N -5.44 0.00 -0.43 3.11 4.77 -0.65 -3.55 117.00 114.82 2wcf n LEU 60 Ca -0.04 0.13 0.35 0.00 -0.03 0.00 0.00 56.01 56.41 2wcf n LEU 60 Cb 0.36 0.00 0.63 0.00 -2.33 0.00 0.00 43.42 42.08 2wcf n LEU 60 CO 0.13 0.00 1.23 -2.24 -1.33 0.00 0.00 177.39 175.18 2wcf h ASP 61 N 0.00 0.27 -0.72 -1.43 2.03 -1.55 0.25 116.42 115.26 2wcf h ASP 61 Ca 0.00 0.13 0.21 0.00 -0.73 0.00 0.00 57.03 56.64 2wcf h ASP 61 Cb 0.00 0.11 -0.03 0.00 -0.83 0.00 0.00 39.33 38.58 2wcf h ASP 61 CO 0.00 -0.15 0.86 0.00 -1.03 0.00 0.00 179.24 178.91 2wcf h ALA 62 N 1.61 2.54 -1.38 4.15 0.00 -1.42 -2.67 119.26 122.09 2wcf h ALA 62 Ca 0.79 -0.03 -0.39 0.00 0.00 0.00 0.00 54.91 55.28 2wcf h ALA 62 Cb 2.42 0.05 -0.27 0.00 0.00 0.00 0.00 17.79 19.99 2wcf h ALA 62 CO -0.41 -1.23 -0.79 0.09 0.00 0.00 0.00 179.25 176.92 2wcf n ASN 63 N -3.42 -1.57 0.13 0.00 4.13 0.87 -5.06 115.26 110.33 2wcf n ASN 63 Ca 0.15 -2.81 0.01 0.00 1.68 0.00 0.00 54.58 53.61 2wcf n ASN 63 Cb 1.10 0.53 0.00 0.00 -1.54 0.00 0.00 39.78 39.87 2wcf n ASN 63 CO 0.00 0.00 0.00 0.06 0.28 0.00 0.00 177.26 177.60 2wcf h GLN 64 N 4.64 0.00 0.00 3.52 -0.00 -1.53 -3.10 115.11 118.65 2wcf h GLN 64 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.72 2wcf h GLN 64 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.46 2wcf h GLN 64 CO 0.30 0.56 0.00 -0.25 -0.00 0.00 0.00 178.83 179.45 2wcf n ASP 65 N -3.23 0.00 -4.69 0.06 8.00 -1.26 -0.15 116.55 115.28 2wcf n ASP 65 Ca 0.01 -0.37 -0.42 0.00 0.71 0.00 0.00 54.79 54.72 2wcf n ASP 65 Cb 0.77 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.73 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 -2.23 4.21 0.07 -1.24 2.02 -1.17 -4.76 118.70 115.61 2wcf s GLU 66 Ca 0.25 2.25 -0.29 0.00 0.02 0.00 0.00 54.97 57.20 2wcf s GLU 66 Cb 0.13 -3.63 -0.05 0.00 0.10 0.00 0.00 34.13 30.69 2wcf s GLU 66 CO 0.26 -0.71 0.93 -0.65 0.02 0.00 0.00 175.26 175.10 2wcf s GLN 67 N 2.71 4.63 0.12 1.61 -1.52 -1.26 0.53 119.66 126.48 2wcf s GLN 67 Ca 0.72 1.37 0.05 0.00 -1.95 0.00 0.00 55.36 55.55 2wcf s GLN 67 Cb -0.38 -3.39 -0.04 0.00 -0.22 0.00 0.00 33.01 28.98 2wcf s GLN 67 CO 0.31 0.17 -0.13 0.14 -0.25 0.00 0.00 175.29 175.53 2wcf s VAL 68 N 0.22 1.24 0.45 1.09 -7.23 0.25 -4.87 120.40 111.55 2wcf s VAL 68 Ca 0.46 -1.74 0.05 0.00 -1.81 0.00 0.00 61.98 58.95 2wcf s VAL 68 Cb -0.22 -1.53 -0.05 0.00 0.56 0.00 0.00 36.38 35.14 2wcf s VAL 68 CO 0.28 -0.48 0.05 1.51 -0.31 0.00 0.00 175.10 176.15 2wcf s ASP 69 N -2.52 4.08 0.25 4.85 1.47 -1.26 0.54 116.67 124.07 2wcf s ASP 69 Ca 0.09 -1.43 -0.07 0.00 1.18 0.00 0.00 52.55 52.32 2wcf s ASP 69 Cb -0.04 -0.04 0.45 0.00 -0.34 0.00 0.00 42.92 42.95 2wcf s ASP 69 CO 0.02 -0.64 1.62 0.15 0.68 0.00 0.00 175.17 177.01 2wcf h PHE 70 N 1.53 -0.13 0.30 2.11 3.57 -1.99 0.54 116.94 122.87 2wcf h PHE 70 Ca -0.43 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.13 2wcf h PHE 70 Cb 1.27 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 40.16 2wcf h PHE 70 CO 1.01 -0.28 -0.46 1.96 -2.23 0.00 0.00 178.31 178.30 2wcf h GLN 71 N 0.07 -0.79 -0.24 1.11 7.50 -1.96 0.20 115.11 120.99 2wcf h GLN 71 Ca 0.43 0.05 -0.05 0.00 0.50 0.00 0.00 58.65 59.58 2wcf h GLN 71 Cb 0.75 0.18 -0.01 0.00 0.05 0.00 0.00 27.48 28.44 2wcf h GLN 71 CO -0.73 -0.53 -0.06 1.49 -1.50 0.00 0.00 178.83 177.51 2wcf h GLU 72 N -0.82 0.37 0.01 1.46 4.57 -1.76 -1.88 114.58 116.52 2wcf h GLU 72 Ca -0.02 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.09 2wcf h GLU 72 Cb 0.77 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 2wcf h GLU 72 CO -0.16 0.44 -0.07 0.35 -1.18 0.00 0.00 179.01 178.39 2wcf h PHE 73 N 0.35 -0.18 -0.32 0.92 3.57 0.87 -2.05 116.94 120.10 2wcf h PHE 73 Ca 0.08 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 2wcf h PHE 73 Cb 0.33 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 2wcf h PHE 73 CO 0.01 -0.11 0.08 0.82 -2.23 0.00 0.00 178.31 176.87 2wcf h ILE 74 N -0.13 1.15 -0.23 1.41 1.08 -0.29 -1.32 117.51 119.19 2wcf h ILE 74 Ca 0.02 -0.53 0.05 0.00 -0.39 0.00 0.00 64.86 64.01 2wcf h ILE 74 Cb 0.16 0.83 -0.05 0.00 -3.07 0.00 0.00 36.82 34.68 2wcf h ILE 74 CO -0.07 0.19 -0.11 -1.28 -0.69 0.00 0.00 178.15 176.20 2wcf h SER 75 N 0.46 -0.35 -0.28 1.72 0.87 -0.62 0.02 113.55 115.36 2wcf h SER 75 Ca 0.11 0.09 -0.09 0.00 -1.23 0.00 0.00 61.79 60.67 2wcf h SER 75 Cb 0.18 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2wcf h SER 75 CO -0.00 -0.14 -0.18 -0.07 -0.53 0.00 0.00 176.83 175.91 2wcf h LEU 76 N -0.07 0.64 -0.47 2.23 3.38 -1.07 -2.77 115.31 117.18 2wcf h LEU 76 Ca 0.12 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.71 2wcf h LEU 76 Cb 0.26 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 2wcf h LEU 76 CO -0.28 0.93 0.21 0.58 0.09 0.00 0.00 178.44 179.98 2wcf h VAL 77 N 0.35 0.92 -0.90 1.22 2.07 -0.69 0.32 116.25 119.53 2wcf h VAL 77 Ca 0.06 -0.15 0.25 0.00 0.82 0.00 0.00 66.70 67.68 2wcf h VAL 77 Cb 0.71 0.46 -0.15 0.00 -1.52 0.00 0.00 31.29 30.79 2wcf h VAL 77 CO 0.05 0.08 0.22 0.00 0.02 0.00 0.00 177.57 177.93 2wcf h ALA 78 N 1.27 1.31 0.07 1.67 0.00 -0.93 0.29 119.26 122.95 2wcf h ALA 78 Ca 0.21 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 2wcf h ALA 78 Cb 0.16 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2wcf h ALA 78 CO -0.17 -0.52 -0.03 0.82 0.00 0.00 0.00 179.25 179.34 2wcf h ILE 79 N 0.16 1.22 -0.70 0.00 2.04 -0.39 -1.86 117.51 117.98 2wcf h ILE 79 Ca 0.58 -1.16 0.15 0.00 1.00 0.00 0.00 64.86 65.42 2wcf h ILE 79 Cb 1.21 1.96 -0.13 0.00 -0.74 0.00 0.00 36.82 39.12 2wcf h ILE 79 CO -0.71 0.28 -0.10 0.00 0.00 0.00 0.00 178.15 177.62 2wcf h ALA 80 N 0.22 0.56 -0.45 1.87 0.00 0.15 -0.76 119.26 120.86 2wcf h ALA 80 Ca -0.01 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2wcf h ALA 80 Cb 0.53 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2wcf h ALA 80 CO 0.02 -0.42 0.15 -0.07 0.00 0.00 0.00 179.25 178.93 2wcf h LEU 81 N 0.04 0.64 0.04 0.00 3.38 -0.34 -1.77 115.31 117.29 2wcf h LEU 81 Ca 0.35 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2wcf h LEU 81 Cb 0.57 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2wcf h LEU 81 CO -0.68 0.66 -0.08 0.50 0.09 0.00 0.00 178.44 178.94 2wcf h LYS 82 N 0.58 -0.12 0.00 1.13 1.63 -0.60 -0.97 116.57 118.23 2wcf h LYS 82 Ca 0.15 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 2wcf h LYS 82 Cb 0.24 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 2wcf h LYS 82 CO -0.01 -0.08 0.59 0.00 -3.45 0.00 0.00 179.45 176.50 2wcf h ALA 83 N -1.48 1.55 -0.57 5.00 0.00 -0.95 0.89 119.26 123.71 2wcf h ALA 83 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wcf h ALA 83 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2wcf h ALA 83 CO -0.03 -0.55 0.00 0.00 0.00 0.00 0.00 179.25 178.67 2wcf n ALA 84 N -1.66 2.60 -2.71 0.00 0.00 -0.69 -4.06 120.51 114.01 2wcf n ALA 84 Ca -0.01 -1.44 -0.20 0.00 0.00 0.00 0.00 53.44 51.79 2wcf n ALA 84 Cb 0.61 -0.80 0.01 0.00 0.00 0.00 0.00 19.45 19.26 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 1.00 -1.48 -2.22 0.00 8.25 0.31 -2.07 115.22 119.01 2wcf n HIS 85 Ca 0.21 0.22 -0.11 0.00 -0.26 0.00 0.00 57.72 57.79 2wcf n HIS 85 Cb 0.68 -3.88 -0.00 0.00 1.12 0.00 0.00 29.99 27.90 2wcf n HIS 85 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2wcf n TYR 86 N -4.08 -0.53 -3.48 4.41 4.01 -0.40 -4.98 117.16 112.10 2wcf n TYR 86 Ca -0.17 0.01 -0.42 0.00 -0.16 0.00 0.00 57.90 57.17 2wcf n TYR 86 Cb 0.64 -2.53 -0.04 0.00 -0.31 0.00 0.00 39.34 37.11 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 -2.55 3.97 -1.24 -0.72 3.76 -0.88 -4.92 115.29 112.72 2wcf s HIS 87 Ca 0.01 -2.69 0.29 0.00 -0.15 0.00 0.00 55.06 52.52 2wcf s HIS 87 Cb -0.00 -3.57 1.20 0.00 1.11 0.00 0.00 32.58 31.31 2wcf s HIS 87 CO 0.01 -0.88 1.87 0.25 -0.85 0.00 0.00 174.74 175.14 2wcf n THR 88 N 2.88 0.00 -3.43 1.30 -2.24 -1.26 -4.03 114.28 107.50 2wcf n THR 88 Ca 0.20 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 2wcf n THR 88 Cb 0.40 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 2wcf n THR 88 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wcf n HIS 89 N -1.33 -0.38 1.56 4.78 1.44 -1.26 -4.31 115.22 115.72 2wcf n HIS 89 Ca 0.10 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.95 2wcf n HIS 89 Cb 0.30 0.00 0.58 0.00 0.12 0.00 0.00 29.99 30.99 2wcf n HIS 89 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89