#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wcf s SER 0 N 0.00 -0.01 0.60 1.61 1.04 -1.26 -5.14 113.70 110.55 2wcf s SER 0 Ca 0.00 -0.24 -0.15 0.00 0.48 0.00 0.00 55.95 56.04 2wcf s SER 0 Cb 0.00 0.19 -0.03 0.00 0.10 0.00 0.00 66.02 66.27 2wcf s SER 0 CO 0.00 -0.37 1.06 0.42 0.98 0.00 0.00 173.24 175.34 2wcf s THR 1 N -2.12 3.76 0.23 2.02 -4.23 -1.26 -4.81 115.64 109.24 2wcf s THR 1 Ca 0.26 0.82 -0.08 0.00 -1.18 0.00 0.00 61.69 61.51 2wcf s THR 1 Cb 0.00 -3.35 0.22 0.00 1.34 0.00 0.00 72.50 70.71 2wcf s THR 1 CO -0.01 -0.50 1.91 0.07 -0.54 0.00 0.00 174.62 175.55 2wcf h LYS 2 N 0.36 1.19 -0.55 3.99 5.09 -2.02 0.53 116.57 125.16 2wcf h LYS 2 Ca -0.47 -0.07 -0.00 0.00 0.09 0.00 0.00 60.65 60.20 2wcf h LYS 2 Cb 1.22 -0.27 -0.03 0.00 0.10 0.00 0.00 32.23 33.26 2wcf h LYS 2 CO 0.57 0.79 0.33 1.25 -2.09 0.00 0.00 179.45 180.30 2wcf h LEU 3 N 1.23 0.66 -0.82 7.07 5.85 -2.00 -2.07 115.31 125.24 2wcf h LEU 3 Ca 0.33 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 2wcf h LEU 3 Cb -0.14 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 2wcf h LEU 3 CO -0.07 0.53 0.40 -0.33 -0.34 0.00 0.00 178.44 178.63 2wcf h GLU 4 N 0.74 1.17 0.37 1.25 3.07 -1.56 -2.33 114.58 117.28 2wcf h GLU 4 Ca 0.20 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 2wcf h GLU 4 Cb -0.01 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.68 2wcf h GLU 4 CO -0.04 0.89 -0.28 0.93 -1.40 0.00 0.00 179.01 179.11 2wcf h GLU 5 N 1.15 -0.60 -1.51 2.33 5.08 0.22 -2.19 114.58 119.05 2wcf h GLU 5 Ca 0.28 0.04 0.48 0.00 -1.00 0.00 0.00 59.36 59.16 2wcf h GLU 5 Cb 0.10 0.14 -0.11 0.00 0.50 0.00 0.00 28.75 29.37 2wcf h GLU 5 CO -0.04 -0.40 1.02 0.45 -1.00 0.00 0.00 179.01 179.04 2wcf h HIS 6 N -0.63 0.36 0.07 4.33 3.86 -1.24 -0.82 115.15 121.07 2wcf h HIS 6 Ca -0.05 0.02 -0.20 0.00 -1.16 0.00 0.00 60.37 58.97 2wcf h HIS 6 Cb 0.52 -0.09 0.02 0.00 1.06 0.00 0.00 27.41 28.92 2wcf h HIS 6 CO -0.09 -0.16 -0.84 -0.07 0.86 0.00 0.00 177.93 177.62 2wcf h LEU 7 N 0.04 0.62 0.00 2.43 3.38 -0.86 -2.48 115.31 118.45 2wcf h LEU 7 Ca 0.86 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2wcf h LEU 7 Cb 2.96 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 43.51 2wcf h LEU 7 CO -0.31 1.38 0.00 1.21 0.09 0.00 0.00 178.44 180.82 2wcf n GLU 8 N -4.07 0.00 0.00 1.13 2.13 -0.34 0.70 120.64 120.19 2wcf n GLU 8 Ca -0.12 0.52 0.00 0.00 0.66 0.00 0.00 57.16 58.21 2wcf n GLU 8 Cb 0.80 -1.18 0.00 0.00 0.27 0.00 0.00 31.44 31.33 2wcf n GLU 8 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wcf n GLY 9 N -0.89 0.00 0.15 8.31 0.00 -1.05 0.57 105.19 112.28 2wcf n GLY 9 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2wcf n GLY 9 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wcf h ILE 10 N 0.00 1.32 -0.75 -0.61 2.04 -0.78 -2.20 117.51 116.53 2wcf h ILE 10 Ca 0.00 -1.27 0.16 0.00 1.00 0.00 0.00 64.86 64.75 2wcf h ILE 10 Cb 0.00 1.73 -0.10 0.00 -0.74 0.00 0.00 36.82 37.70 2wcf h ILE 10 CO 0.00 0.38 0.25 0.58 0.00 0.00 0.00 178.15 179.36 2wcf h VAL 11 N 0.12 0.57 -0.94 1.67 2.07 0.58 -2.37 116.25 117.95 2wcf h VAL 11 Ca 0.04 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.52 2wcf h VAL 11 Cb 0.67 0.19 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 2wcf h VAL 11 CO 0.04 0.06 0.61 0.78 0.02 0.00 0.00 177.57 179.08 2wcf h ASN 12 N 0.35 0.91 0.05 0.57 2.35 -0.46 0.24 115.58 119.59 2wcf h ASN 12 Ca 0.43 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 56.19 2wcf h ASN 12 Cb 0.71 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2wcf h ASN 12 CO -0.47 0.55 -0.03 0.40 -1.65 0.00 0.00 177.43 176.24 2wcf h ILE 13 N 1.01 1.23 -0.12 2.81 2.04 -0.87 -1.19 117.51 122.42 2wcf h ILE 13 Ca 0.42 -1.01 0.04 0.00 1.00 0.00 0.00 64.86 65.32 2wcf h ILE 13 Cb 0.31 1.89 -0.07 0.00 -0.74 0.00 0.00 36.82 38.21 2wcf h ILE 13 CO -0.18 0.25 -0.45 0.15 0.00 0.00 0.00 178.15 177.93 2wcf h PHE 14 N -0.52 -1.28 -0.66 1.37 3.57 -1.43 0.21 116.94 118.19 2wcf h PHE 14 Ca -0.01 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.62 2wcf h PHE 14 Cb 0.46 0.58 -0.04 0.00 2.79 0.00 0.00 35.95 39.74 2wcf h PHE 14 CO 0.08 -0.49 0.44 0.45 -2.23 0.00 0.00 178.31 176.55 2wcf h HIS 15 N -0.52 0.63 -0.04 0.41 3.86 -0.90 1.45 115.15 120.05 2wcf h HIS 15 Ca 0.07 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 2wcf h HIS 15 Cb 0.64 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.91 2wcf h HIS 15 CO -0.50 0.32 -0.06 1.96 0.86 0.00 0.00 177.93 180.51 2wcf h GLN 16 N 0.61 0.11 -0.73 2.45 1.08 -0.85 0.48 115.11 118.26 2wcf h GLN 16 Ca 0.29 -0.06 0.14 0.00 -1.45 0.00 0.00 58.65 57.57 2wcf h GLN 16 Cb 0.36 0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 27.70 2wcf h GLN 16 CO -0.09 0.62 0.26 1.88 -0.95 0.00 0.00 178.83 180.55 2wcf h TYR 17 N -0.40 0.45 -0.08 2.96 -1.99 0.27 0.14 116.97 118.32 2wcf h TYR 17 Ca 0.00 0.04 -0.10 0.00 2.00 0.00 0.00 58.73 60.67 2wcf h TYR 17 Cb 0.61 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.26 2wcf h TYR 17 CO 0.11 0.03 -0.36 0.66 -0.00 0.00 0.00 178.16 178.61 2wcf h SER 18 N 0.40 0.45 -0.39 3.88 4.64 0.24 -2.94 113.55 119.82 2wcf h SER 18 Ca 0.40 -0.64 -0.08 0.00 -0.47 0.00 0.00 61.79 60.99 2wcf h SER 18 Cb 0.61 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2wcf h SER 18 CO -0.41 1.02 -0.08 0.58 -0.87 0.00 0.00 176.83 177.06 2wcf h VAL 19 N -0.10 1.27 -0.02 0.95 2.07 0.15 -1.85 116.25 118.73 2wcf h VAL 19 Ca -0.02 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.34 2wcf h VAL 19 Cb 1.00 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2wcf h VAL 19 CO 0.07 0.39 0.36 0.03 0.02 0.00 0.00 177.57 178.45 2wcf h ARG 20 N 0.56 0.00 -0.28 1.57 3.08 -0.70 0.91 114.38 119.53 2wcf h ARG 20 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2wcf h ARG 20 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2wcf h ARG 20 CO 0.04 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.57 2wcf n LYS 21 N -2.91 2.84 -0.04 0.04 4.76 -0.74 -4.99 118.16 117.13 2wcf n LYS 21 Ca -0.02 -2.29 0.00 0.00 -2.87 0.00 0.00 58.31 53.13 2wcf n LYS 21 Cb 0.42 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 2wcf n LYS 21 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wcf n GLY 22 N 0.01 0.98 3.09 0.72 0.00 0.32 -5.05 105.19 105.26 2wcf n GLY 22 Ca 0.14 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.00 0.79 -0.13 1.61 3.76 -0.96 -5.01 115.29 113.35 2wcf s HIS 23 Ca 0.00 -0.53 -0.12 0.00 -0.15 0.00 0.00 55.06 54.27 2wcf s HIS 23 Cb 0.00 -0.46 -0.09 0.00 1.11 0.00 0.00 32.58 33.13 2wcf s HIS 23 CO 0.00 -0.06 0.16 0.35 -0.85 0.00 0.00 174.74 174.34 2wcf h PHE 24 N 4.33 0.00 -0.46 1.40 3.57 -1.91 -0.87 116.94 123.00 2wcf h PHE 24 Ca -0.37 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 60.86 2wcf h PHE 24 Cb 1.20 0.00 -0.17 0.00 2.79 0.00 0.00 35.95 39.77 2wcf h PHE 24 CO 0.64 0.44 -0.13 -0.25 -2.23 0.00 0.00 178.31 176.78 2wcf n ASP 25 N -4.65 3.21 -3.62 0.41 8.00 -1.26 -4.49 116.55 114.15 2wcf n ASP 25 Ca -0.09 -3.80 -0.10 0.00 0.71 0.00 0.00 54.79 51.52 2wcf n ASP 25 Cb 0.27 -0.62 -0.06 0.00 -0.02 0.00 0.00 41.12 40.69 2wcf n ASP 25 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2wcf s THR 26 N -3.59 0.00 0.13 -3.53 -4.23 -1.26 -4.40 115.64 98.76 2wcf s THR 26 Ca 0.47 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 61.07 2wcf s THR 26 Cb 0.42 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 73.22 2wcf s THR 26 CO -0.00 0.00 -0.21 -1.48 -0.54 0.00 0.00 174.62 172.39 2wcf s LEU 27 N -0.22 2.35 0.24 4.79 2.34 -0.14 -4.52 118.68 123.52 2wcf s LEU 27 Ca 0.01 -0.76 -0.31 0.00 0.06 0.00 0.00 54.13 53.14 2wcf s LEU 27 Cb -0.03 -0.94 -0.11 0.00 -0.56 0.00 0.00 46.19 44.55 2wcf s LEU 27 CO -0.03 0.05 1.54 -0.94 -1.06 0.00 0.00 176.35 175.91 2wcf s SER 28 N -2.22 6.53 0.31 1.48 1.04 -1.26 -0.09 113.70 119.50 2wcf s SER 28 Ca 0.11 2.76 0.15 0.00 0.48 0.00 0.00 55.95 59.44 2wcf s SER 28 Cb -0.09 -2.62 1.06 0.00 0.10 0.00 0.00 66.02 64.48 2wcf s SER 28 CO 0.06 -0.82 1.38 0.29 0.98 0.00 0.00 173.24 175.13 2wcf n LYS 29 N 2.86 -0.06 0.21 4.02 5.02 0.12 0.86 118.16 131.19 2wcf n LYS 29 Ca 0.10 1.23 -0.15 0.00 -2.02 0.00 0.00 58.31 57.47 2wcf n LYS 29 Cb 0.38 -2.15 -0.07 0.00 -0.02 0.00 0.00 35.03 33.17 2wcf n LYS 29 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2wcf h GLY 30 N 0.00 -0.77 1.06 0.72 0.00 -1.32 0.71 103.07 103.47 2wcf h GLY 30 Ca 0.69 0.38 -0.06 0.00 0.00 0.00 0.00 47.33 48.34 2wcf h GLY 30 CO -0.71 -0.28 0.20 0.83 0.00 0.00 0.00 176.54 176.58 2wcf h GLU 31 N -0.69 1.14 -0.63 4.80 4.39 -1.04 -2.12 114.58 120.44 2wcf h GLU 31 Ca -0.02 -0.26 0.13 0.00 0.34 0.00 0.00 59.36 59.55 2wcf h GLU 31 Cb 0.63 -0.16 -0.10 0.00 -0.10 0.00 0.00 28.75 29.02 2wcf h GLU 31 CO -0.07 0.99 0.08 1.25 -1.16 0.00 0.00 179.01 180.10 2wcf h LEU 32 N 1.09 -0.12 0.04 1.33 5.85 0.78 -0.41 115.31 123.86 2wcf h LEU 32 Ca 0.23 0.14 0.03 0.00 0.84 0.00 0.00 57.88 59.12 2wcf h LEU 32 Cb 0.34 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 2wcf h LEU 32 CO -0.00 -0.06 -0.37 0.11 -0.34 0.00 0.00 178.44 177.78 2wcf h LYS 33 N 0.19 -0.53 0.00 1.25 1.79 0.11 0.12 116.57 119.50 2wcf h LYS 33 Ca 0.33 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 2wcf h LYS 33 Cb 0.53 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 2wcf h LYS 33 CO -0.48 -0.35 0.00 1.96 -1.08 0.00 0.00 179.45 179.50 2wcf h GLN 34 N -0.55 0.00 0.13 3.15 7.50 -0.87 -2.33 115.11 122.15 2wcf h GLN 34 Ca 0.05 0.00 -0.25 0.00 0.50 0.00 0.00 58.65 58.94 2wcf h GLN 34 Cb 0.61 0.00 0.01 0.00 0.05 0.00 0.00 27.48 28.15 2wcf h GLN 34 CO -0.27 0.00 -1.24 1.37 -1.50 0.00 0.00 178.83 177.19 2wcf h LEU 35 N 0.00 0.43 -1.79 1.46 8.10 -0.19 -2.98 115.31 120.34 2wcf h LEU 35 Ca 0.00 -0.89 0.21 0.00 0.11 0.00 0.00 57.88 57.31 2wcf h LEU 35 Cb 0.25 -0.14 -0.04 0.00 -0.44 0.00 0.00 40.66 40.28 2wcf h LEU 35 CO 0.00 1.56 0.56 0.25 -4.11 0.00 0.00 178.44 176.70 2wcf h LEU 36 N -0.30 0.18 0.11 0.17 5.85 -0.36 0.50 115.31 121.46 2wcf h LEU 36 Ca -0.25 0.02 -0.36 0.00 0.84 0.00 0.00 57.88 58.13 2wcf h LEU 36 Cb 1.75 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.74 2wcf h LEU 36 CO 0.10 0.07 -1.97 0.35 -0.34 0.00 0.00 178.44 176.65 2wcf n THR 37 N -4.39 1.76 -0.01 1.05 -2.24 -0.92 -2.52 114.28 107.01 2wcf n THR 37 Ca 0.17 -0.67 -0.13 0.00 -2.27 0.00 0.00 64.05 61.14 2wcf n THR 37 Cb 0.76 -1.65 -0.10 0.00 -2.10 0.00 0.00 70.33 67.24 2wcf n THR 37 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2wcf h LYS 38 N 0.06 -0.02 0.00 -0.78 6.56 -1.34 -1.47 116.57 119.59 2wcf h LYS 38 Ca -0.41 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.17 2wcf h LYS 38 Cb 2.03 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 33.69 2wcf h LYS 38 CO 0.09 0.50 -0.07 0.93 -2.06 0.00 0.00 179.45 178.84 2wcf h GLU 39 N -0.54 0.00 -0.09 3.15 4.39 -0.16 -3.03 114.58 118.29 2wcf h GLU 39 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2wcf h GLU 39 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2wcf h GLU 39 CO 0.00 0.07 0.00 1.28 -1.16 0.00 0.00 179.01 179.20 2wcf n LEU 40 N -3.14 2.01 0.00 1.33 4.77 -1.05 -4.87 117.00 116.06 2wcf n LEU 40 Ca 0.02 -1.35 0.00 0.00 -0.03 0.00 0.00 56.01 54.65 2wcf n LEU 40 Cb 0.47 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2wcf n LEU 40 CO 0.32 0.45 0.00 0.00 -1.33 0.00 0.00 177.39 176.83 2wcf n ALA 41 N 0.37 0.00 -0.21 -1.18 0.00 -0.55 -0.18 120.51 118.76 2wcf n ALA 41 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.51 2wcf n ALA 41 Cb 0.26 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.32 -0.22 0.00 2.35 -1.88 0.34 115.58 115.85 2wcf h ASN 42 Ca 0.00 0.16 0.06 0.00 -0.55 0.00 0.00 56.30 55.97 2wcf h ASN 42 Cb 0.00 0.29 -0.06 0.00 0.05 0.00 0.00 38.32 38.60 2wcf h ASN 42 CO 0.00 -0.13 -0.17 0.74 -1.65 0.00 0.00 177.43 176.22 2wcf h THR 43 N 0.10 0.53 -0.77 2.81 2.02 -0.79 0.27 112.91 117.08 2wcf h THR 43 Ca 0.33 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.51 2wcf h THR 43 Cb 0.53 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 2wcf h THR 43 CO -0.55 0.00 0.51 0.40 0.37 0.00 0.00 175.52 176.24 2wcf h ILE 44 N -0.17 1.19 -0.70 3.11 2.04 0.59 0.16 117.51 123.73 2wcf h ILE 44 Ca 0.13 -0.36 0.13 0.00 1.00 0.00 0.00 64.86 65.77 2wcf h ILE 44 Cb 0.36 0.07 -0.09 0.00 -0.74 0.00 0.00 36.82 36.42 2wcf h ILE 44 CO -0.32 0.19 0.23 0.50 0.00 0.00 0.00 178.15 178.75 2wcf h LYS 45 N 1.03 0.36 0.00 2.37 3.64 -0.02 -1.53 116.57 122.41 2wcf h LYS 45 Ca 0.28 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2wcf h LYS 45 Cb -0.12 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 2wcf h LYS 45 CO -0.06 0.24 0.00 0.09 -2.27 0.00 0.00 179.45 177.44 2wcf n ASN 46 N -5.06 0.17 -4.72 4.20 3.02 0.89 -4.73 115.26 109.04 2wcf n ASN 46 Ca 0.12 0.58 -0.41 0.00 -0.03 0.00 0.00 54.58 54.85 2wcf n ASN 46 Cb 0.39 -0.60 -0.04 0.00 -0.61 0.00 0.00 39.78 38.92 2wcf n ASN 46 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wcf s ILE 47 N -3.16 4.89 -0.11 2.41 1.01 -0.58 -4.66 121.20 120.99 2wcf s ILE 47 Ca -0.00 1.71 -0.02 0.00 0.00 0.00 0.00 60.65 62.33 2wcf s ILE 47 Cb 0.02 -4.16 -0.01 0.00 0.01 0.00 0.00 42.46 38.32 2wcf s ILE 47 CO 0.07 0.25 -0.00 0.11 0.00 0.00 0.00 174.94 175.37 2wcf h LYS 48 N 6.44 0.00 -5.10 2.79 6.56 -1.85 -3.40 116.57 122.00 2wcf h LYS 48 Ca -0.42 0.00 -0.52 0.00 -1.06 0.00 0.00 60.65 58.65 2wcf h LYS 48 Cb 1.21 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.85 2wcf h LYS 48 CO 0.74 0.04 1.81 -3.47 -2.06 0.00 0.00 179.45 176.51 2wcf n ASP 49 N -4.75 3.29 0.00 0.86 4.64 -1.26 -4.78 116.55 114.55 2wcf n ASP 49 Ca -0.02 -2.74 0.00 0.00 -1.38 0.00 0.00 54.79 50.65 2wcf n ASP 49 Cb 0.06 -1.55 0.00 0.00 -1.04 0.00 0.00 41.12 38.59 2wcf n ASP 49 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 2wcf n LYS 50 N 7.72 0.00 0.16 -0.67 4.01 -1.26 -0.42 118.16 127.70 2wcf n LYS 50 Ca 0.48 0.00 0.03 0.00 -0.51 0.00 0.00 58.31 58.31 2wcf n LYS 50 Cb 0.44 -1.49 0.19 0.00 -0.51 0.00 0.00 35.03 33.66 2wcf n LYS 50 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wcf h ALA 51 N 1.09 0.84 -0.15 7.82 0.00 -1.98 -3.27 119.26 123.61 2wcf h ALA 51 Ca 0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 2wcf h ALA 51 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2wcf h ALA 51 CO 0.00 0.60 -0.12 0.28 0.00 0.00 0.00 179.25 180.01 2wcf h VAL 52 N 0.00 1.34 -0.01 0.00 2.07 -1.15 -2.00 116.25 116.50 2wcf h VAL 52 Ca -0.00 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.28 2wcf h VAL 52 Cb 1.13 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 2wcf h VAL 52 CO 0.06 0.36 -0.14 0.00 0.02 0.00 0.00 177.57 177.88 2wcf n ILE 53 N -4.59 0.00 -0.03 4.57 0.13 -1.26 -3.08 119.36 115.10 2wcf n ILE 53 Ca -0.06 -0.15 -0.15 0.00 -1.10 0.00 0.00 62.75 61.29 2wcf n ILE 53 Cb 0.34 0.31 -0.09 0.00 -0.84 0.00 0.00 39.64 39.36 2wcf n ILE 53 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 2wcf h ASP 54 N 1.41 0.49 0.23 9.51 5.19 -1.53 -1.22 116.42 130.51 2wcf h ASP 54 Ca 0.00 -0.65 -0.09 0.00 -0.62 0.00 0.00 57.03 55.68 2wcf h ASP 54 Cb 0.46 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 2wcf h ASP 54 CO 0.00 1.06 -0.34 -0.08 -3.12 0.00 0.00 179.24 176.76 2wcf h GLU 55 N -0.04 0.17 -0.26 3.56 4.81 -1.40 0.24 114.58 121.66 2wcf h GLU 55 Ca -0.03 -0.07 -0.20 0.00 -0.13 0.00 0.00 59.36 58.94 2wcf h GLU 55 Cb 1.05 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2wcf h GLU 55 CO 0.08 0.50 -0.60 0.82 -0.73 0.00 0.00 179.01 179.08 2wcf h ILE 56 N 0.15 1.27 -0.26 2.32 2.04 -1.60 -3.22 117.51 118.21 2wcf h ILE 56 Ca 0.02 -1.79 -0.18 0.00 1.00 0.00 0.00 64.86 63.91 2wcf h ILE 56 Cb 0.68 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 2wcf h ILE 56 CO 0.05 0.58 -0.56 -0.26 0.00 0.00 0.00 178.15 177.96 2wcf h PHE 57 N 0.64 1.01 0.31 1.37 -1.00 -0.89 -2.72 116.94 115.65 2wcf h PHE 57 Ca -0.00 -0.36 0.00 0.00 2.81 0.00 0.00 57.97 60.42 2wcf h PHE 57 Cb 1.22 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 40.56 2wcf h PHE 57 CO 0.08 1.17 -0.44 0.37 -1.61 0.00 0.00 178.31 177.88 2wcf h GLN 58 N 0.61 -0.77 -0.30 1.51 5.75 -0.59 0.33 115.11 121.66 2wcf h GLN 58 Ca 0.01 0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 2wcf h GLN 58 Cb 1.16 0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.85 2wcf h GLN 58 CO 0.12 -0.51 0.14 0.78 -2.65 0.00 0.00 178.83 176.71 2wcf h GLY 59 N -0.80 0.40 0.00 2.39 0.00 -1.56 0.69 103.07 104.19 2wcf h GLY 59 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2wcf h GLY 59 CO -0.14 0.07 0.00 1.04 0.00 0.00 0.00 176.54 177.51 2wcf n LEU 60 N -4.98 0.00 -0.31 3.11 4.77 -1.03 -1.49 117.00 117.07 2wcf n LEU 60 Ca -0.01 0.44 0.14 0.00 -0.03 0.00 0.00 56.01 56.56 2wcf n LEU 60 Cb 0.08 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.45 2wcf n LEU 60 CO 0.30 0.00 0.73 0.47 -1.33 0.00 0.00 177.39 177.56 2wcf n ASP 61 N -0.80 -0.09 0.02 -1.43 8.00 0.10 -0.30 116.55 122.05 2wcf n ASP 61 Ca 0.00 1.54 -0.13 0.00 0.71 0.00 0.00 54.79 56.90 2wcf n ASP 61 Cb 0.00 -0.57 -0.09 0.00 -0.02 0.00 0.00 41.12 40.45 2wcf n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wcf h ALA 62 N 1.81 -0.86 -1.72 2.24 0.00 0.61 -3.18 119.26 118.17 2wcf h ALA 62 Ca 0.56 -0.06 -0.72 0.00 0.00 0.00 0.00 54.91 54.68 2wcf h ALA 62 Cb 1.17 0.92 -0.33 0.00 0.00 0.00 0.00 17.79 19.55 2wcf h ALA 62 CO -0.85 -1.02 0.36 0.09 0.00 0.00 0.00 179.25 177.83 2wcf n ASN 63 N -5.03 6.10 0.21 0.00 3.02 0.59 -4.88 115.26 115.27 2wcf n ASN 63 Ca -0.06 -3.65 0.14 0.00 -0.03 0.00 0.00 54.58 50.98 2wcf n ASN 63 Cb 0.33 -0.95 0.41 0.00 -0.61 0.00 0.00 39.78 38.97 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 3.92 0.00 -0.01 3.52 3.07 -1.49 -1.26 115.11 122.87 2wcf h GLN 64 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.09 2wcf h GLN 64 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.99 2wcf h GLN 64 CO 1.06 0.00 -0.26 -0.25 0.09 0.00 0.00 178.83 179.47 2wcf n ASP 65 N -2.87 0.88 -4.72 0.06 8.00 -1.26 -0.99 116.55 115.65 2wcf n ASP 65 Ca 0.03 -0.76 -0.42 0.00 0.71 0.00 0.00 54.79 54.35 2wcf n ASP 65 Cb 0.41 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.58 2wcf n ASP 65 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2wcf s GLU 66 N -2.55 4.46 -0.16 -1.24 2.12 -0.48 -4.79 118.70 116.07 2wcf s GLU 66 Ca 0.23 1.73 -0.26 0.00 0.36 0.00 0.00 54.97 57.03 2wcf s GLU 66 Cb 0.19 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 31.22 2wcf s GLU 66 CO 0.53 -0.20 0.86 -0.65 -0.54 0.00 0.00 175.26 175.26 2wcf s GLN 67 N 0.90 4.32 0.07 4.30 -1.52 -1.26 0.15 119.66 126.62 2wcf s GLN 67 Ca 0.57 1.08 0.08 0.00 -1.95 0.00 0.00 55.36 55.14 2wcf s GLN 67 Cb -0.28 -3.56 -0.03 0.00 -0.22 0.00 0.00 33.01 28.91 2wcf s GLN 67 CO 0.30 -0.31 -0.21 0.14 -0.25 0.00 0.00 175.29 174.95 2wcf s VAL 68 N 2.09 1.71 0.91 1.09 -7.23 0.88 -4.91 120.40 114.93 2wcf s VAL 68 Ca 0.40 -1.36 -0.13 0.00 -1.81 0.00 0.00 61.98 59.08 2wcf s VAL 68 Cb -0.17 -1.51 0.18 0.00 0.56 0.00 0.00 36.38 35.44 2wcf s VAL 68 CO 0.13 0.09 1.25 1.51 -0.31 0.00 0.00 175.10 177.78 2wcf s ASP 69 N -1.51 3.42 0.06 4.85 3.84 -1.26 -0.97 116.67 125.10 2wcf s ASP 69 Ca 0.07 0.17 -0.23 0.00 -0.00 0.00 0.00 52.55 52.56 2wcf s ASP 69 Cb -0.09 -0.30 -0.11 0.00 -1.38 0.00 0.00 42.92 41.04 2wcf s ASP 69 CO 0.03 -2.53 1.36 0.15 -0.00 0.00 0.00 175.17 174.19 2wcf h PHE 70 N -1.40 -0.96 -0.75 2.11 3.57 -1.99 -1.19 116.94 116.33 2wcf h PHE 70 Ca -0.43 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.15 2wcf h PHE 70 Cb 1.24 0.39 -0.09 0.00 2.79 0.00 0.00 35.95 40.28 2wcf h PHE 70 CO -0.90 -0.42 -0.44 0.94 -2.23 0.00 0.00 178.31 175.25 2wcf n GLN 71 N -4.41 -0.33 -0.25 1.11 -0.06 -1.26 0.14 117.38 112.33 2wcf n GLN 71 Ca -0.07 1.24 -0.07 0.00 -2.00 0.00 0.00 57.00 56.10 2wcf n GLN 71 Cb 0.29 -1.82 -0.06 0.00 -4.06 0.00 0.00 30.24 24.59 2wcf n GLN 71 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 2wcf h GLU 72 N 0.00 -0.01 -0.81 3.69 4.57 -1.90 -0.64 114.58 119.48 2wcf h GLU 72 Ca 0.12 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.45 2wcf h GLU 72 Cb 0.31 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.81 2wcf h GLU 72 CO -0.71 -0.01 0.38 0.35 -1.18 0.00 0.00 179.01 177.85 2wcf h PHE 73 N -0.01 0.66 -0.41 0.92 3.57 0.26 0.50 116.94 122.42 2wcf h PHE 73 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2wcf h PHE 73 Cb 0.25 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 2wcf h PHE 73 CO -0.98 0.13 0.26 0.82 -2.23 0.00 0.00 178.31 176.30 2wcf h ILE 74 N 0.54 1.12 -0.60 1.41 1.08 0.23 0.90 117.51 122.18 2wcf h ILE 74 Ca 0.44 -0.24 0.07 0.00 -0.39 0.00 0.00 64.86 64.75 2wcf h ILE 74 Cb 0.65 0.55 -0.06 0.00 -3.07 0.00 0.00 36.82 34.89 2wcf h ILE 74 CO -0.38 0.11 0.28 -1.28 -0.69 0.00 0.00 178.15 176.20 2wcf h SER 75 N 0.54 0.37 -0.65 1.72 0.87 0.17 0.44 113.55 117.00 2wcf h SER 75 Ca 0.15 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.70 2wcf h SER 75 Cb -0.03 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 2wcf h SER 75 CO -0.03 0.23 0.19 -0.07 -0.53 0.00 0.00 176.83 176.62 2wcf h LEU 76 N 0.52 0.98 -0.42 2.23 4.07 -1.21 -1.13 115.31 120.35 2wcf h LEU 76 Ca 0.29 -0.19 -0.16 0.00 0.08 0.00 0.00 57.88 57.90 2wcf h LEU 76 Cb 0.26 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 2wcf h LEU 76 CO -0.23 0.93 -0.37 0.58 -1.08 0.00 0.00 178.44 178.27 2wcf h VAL 77 N 1.00 1.27 0.39 1.22 2.07 0.87 -2.59 116.25 120.49 2wcf h VAL 77 Ca 0.22 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.19 2wcf h VAL 77 Cb 0.32 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2wcf h VAL 77 CO -0.00 0.52 -0.45 0.00 0.02 0.00 0.00 177.57 177.65 2wcf h ALA 78 N 0.80 -0.97 -0.75 1.67 0.00 0.09 -1.67 119.26 118.43 2wcf h ALA 78 Ca 0.07 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 54.98 2wcf h ALA 78 Cb 0.96 0.68 -0.10 0.00 0.00 0.00 0.00 17.79 19.32 2wcf h ALA 78 CO 0.09 -1.09 0.23 0.82 0.00 0.00 0.00 179.25 179.30 2wcf h ILE 79 N -0.87 0.56 -0.34 0.00 2.04 -1.14 0.81 117.51 118.58 2wcf h ILE 79 Ca -0.04 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 65.77 2wcf h ILE 79 Cb 0.79 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 2wcf h ILE 79 CO -0.10 0.06 -0.00 0.00 0.00 0.00 0.00 178.15 178.10 2wcf h ALA 80 N 1.59 0.30 -0.23 1.87 0.00 -1.10 -1.27 119.26 120.42 2wcf h ALA 80 Ca 0.42 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.47 2wcf h ALA 80 Cb 0.70 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2wcf h ALA 80 CO -0.47 -0.40 -0.00 -0.07 0.00 0.00 0.00 179.25 178.30 2wcf h LEU 81 N 0.09 -0.10 -0.29 0.00 3.38 0.03 -0.62 115.31 117.80 2wcf h LEU 81 Ca 0.16 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.24 2wcf h LEU 81 Cb 0.23 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 2wcf h LEU 81 CO -0.28 -0.02 -0.01 0.50 0.09 0.00 0.00 178.44 178.72 2wcf h LYS 82 N 0.07 0.07 0.00 1.13 3.64 -0.83 0.13 116.57 120.77 2wcf h LYS 82 Ca 0.11 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2wcf h LYS 82 Cb 0.14 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2wcf h LYS 82 CO -0.19 0.05 0.00 0.00 -2.27 0.00 0.00 179.45 177.04 2wcf h ALA 83 N 1.26 1.00 -0.42 5.00 0.00 -0.49 -1.63 119.26 123.98 2wcf h ALA 83 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wcf h ALA 83 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2wcf h ALA 83 CO -0.24 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.01 2wcf n ALA 84 N -1.97 2.42 -4.42 0.00 0.00 -0.31 -4.04 120.51 112.18 2wcf n ALA 84 Ca -0.01 -0.99 -0.37 0.00 0.00 0.00 0.00 53.44 52.07 2wcf n ALA 84 Cb 0.16 -0.91 -0.09 0.00 0.00 0.00 0.00 19.45 18.62 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 1.41 -1.22 -1.49 0.00 -0.00 -0.61 -3.24 115.22 110.07 2wcf n HIS 85 Ca 0.20 0.65 -0.13 0.00 -0.00 0.00 0.00 57.72 58.43 2wcf n HIS 85 Cb 0.58 -2.37 -0.05 0.00 -0.00 0.00 0.00 29.99 28.15 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 -4.34 -0.07 -3.76 4.41 4.01 0.29 -5.00 117.16 112.70 2wcf n TYR 86 Ca -0.12 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.26 2wcf n TYR 86 Cb 0.58 -2.47 -0.07 0.00 -0.31 0.00 0.00 39.34 37.07 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 -2.52 3.51 0.00 -0.72 3.76 -1.20 -5.12 115.29 113.01 2wcf s HIS 87 Ca 0.00 0.48 0.00 0.00 -0.15 0.00 0.00 55.06 55.39 2wcf s HIS 87 Cb 0.00 -2.10 0.00 0.00 1.11 0.00 0.00 32.58 31.59 2wcf s HIS 87 CO 0.00 0.49 0.31 0.25 -0.85 0.00 0.00 174.74 174.94