#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwf s ASN 3 N 0.00 1.38 0.32 3.54 3.84 -1.26 -5.04 114.94 117.72 3iwf s ASN 3 Ca 0.00 -0.15 0.04 0.00 0.21 0.00 0.00 52.86 52.96 3iwf s ASN 3 Cb 0.00 0.28 0.54 0.00 -0.55 0.00 0.00 41.25 41.52 3iwf s ASN 3 CO 0.00 -0.31 1.81 -0.29 -2.79 0.00 0.00 177.10 175.52 3iwf h ILE 4 N 6.34 1.23 -0.38 -5.21 6.09 -1.99 -1.90 117.51 121.68 3iwf h ILE 4 Ca -0.16 -1.00 -0.16 0.00 -1.37 0.00 0.00 64.86 62.17 3iwf h ILE 4 Cb 1.14 1.16 -0.01 0.00 0.47 0.00 0.00 36.82 39.59 3iwf h ILE 4 CO 0.25 0.33 -0.40 -0.07 -3.07 0.00 0.00 178.15 175.19 3iwf h LEU 5 N 0.43 1.01 -0.61 2.19 3.38 -1.96 -1.04 115.31 118.72 3iwf h LEU 5 Ca 0.08 -0.47 0.07 0.00 0.09 0.00 0.00 57.88 57.65 3iwf h LEU 5 Cb 0.49 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 3iwf h LEU 5 CO 0.03 1.27 0.30 0.22 0.09 0.00 0.00 178.44 180.35 3iwf h TYR 6 N 0.77 0.55 0.26 1.13 3.20 -1.93 -0.27 116.97 120.67 3iwf h TYR 6 Ca 0.06 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3iwf h TYR 6 Cb 0.99 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.11 3iwf h TYR 6 CO 0.06 0.23 -0.12 -0.22 -1.64 0.00 0.00 178.16 176.47 3iwf h LYS 7 N 0.55 -0.33 -0.46 1.82 3.64 -1.11 -2.47 116.57 118.21 3iwf h LYS 7 Ca 0.28 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 3iwf h LYS 7 Cb 0.24 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 3iwf h LYS 7 CO -0.21 -0.18 0.22 0.82 -2.27 0.00 0.00 179.45 177.83 3iwf h ILE 8 N -0.41 1.19 -0.65 2.00 2.04 -0.94 -0.48 117.51 120.25 3iwf h ILE 8 Ca -0.04 -0.53 0.10 0.00 1.00 0.00 0.00 64.86 65.40 3iwf h ILE 8 Cb 0.31 0.69 -0.08 0.00 -0.74 0.00 0.00 36.82 37.00 3iwf h ILE 8 CO 0.06 0.20 0.27 0.44 0.00 0.00 0.00 178.15 179.12 3iwf h ASP 9 N 0.60 0.29 1.51 1.72 3.32 -1.05 -0.09 116.42 122.72 3iwf h ASP 9 Ca 0.16 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3iwf h ASP 9 Cb 0.12 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3iwf h ASP 9 CO -0.02 0.16 -0.41 0.78 -1.72 0.00 0.00 179.24 178.03 3iwf h ASN 10 N 0.46 0.00 1.11 6.45 4.21 -1.08 -3.23 115.58 123.49 3iwf h ASN 10 Ca 0.33 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.83 3iwf h ASN 10 Cb 0.42 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 3iwf h ASN 10 CO -0.31 0.01 -0.88 1.56 -1.29 0.00 0.00 177.43 176.52 3iwf h GLN 11 N 0.00 0.00 -0.84 0.81 4.20 -0.87 -3.41 115.11 114.99 3iwf h GLN 11 Ca 0.00 0.00 0.21 0.00 0.06 0.00 0.00 58.65 58.92 3iwf h GLN 11 Cb 0.96 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.60 3iwf h GLN 11 CO 0.00 0.00 0.18 -0.92 -0.67 0.00 0.00 178.83 177.42 3iwf h TYR 12 N 0.00 0.26 0.00 2.96 3.20 -1.03 -2.52 116.97 119.84 3iwf h TYR 12 Ca 0.00 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 3iwf h TYR 12 Cb 0.99 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.29 3iwf h TYR 12 CO 0.00 -0.21 -0.00 -1.35 -1.64 0.00 0.00 178.16 174.96 3iwf h PRO 13 N 0.19 0.00 -0.02 1.82 0.11 -1.80 -1.95 132.00 130.35 3iwf h PRO 13 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 3iwf h PRO 13 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3iwf h PRO 13 CO -0.65 0.00 -0.37 0.66 -0.21 0.00 0.00 178.00 177.43 3iwf n TYR 14 N -3.14 0.00 -1.28 0.65 4.01 -0.95 -4.96 117.16 111.49 3iwf n TYR 14 Ca -0.03 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.40 3iwf n TYR 14 Cb 0.09 -0.01 0.09 0.00 -0.31 0.00 0.00 39.34 39.21 3iwf n TYR 14 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3iwf s PHE 15 N -2.40 2.44 1.02 -0.72 0.08 -0.74 -5.03 117.98 112.63 3iwf s PHE 15 Ca 0.21 1.59 -0.12 0.00 0.12 0.00 0.00 56.93 58.72 3iwf s PHE 15 Cb 0.19 -3.13 0.20 0.00 -0.57 0.00 0.00 43.02 39.71 3iwf s PHE 15 CO 0.52 -1.94 1.09 0.95 -0.10 0.00 0.00 175.22 175.74 3iwf s THR 16 N -2.73 2.04 0.18 0.64 -4.23 -1.26 -4.73 115.64 105.54 3iwf s THR 16 Ca 0.63 0.01 -0.14 0.00 -1.18 0.00 0.00 61.69 61.02 3iwf s THR 16 Cb -0.19 -2.47 0.08 0.00 1.34 0.00 0.00 72.50 71.25 3iwf s THR 16 CO 0.53 -0.02 1.73 0.50 -0.54 0.00 0.00 174.62 176.83 3iwf h LYS 17 N -1.97 0.27 -0.44 3.99 3.64 -1.99 0.13 116.57 120.20 3iwf h LYS 17 Ca -0.55 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 58.73 3iwf h LYS 17 Cb 1.33 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 3iwf h LYS 17 CO 0.57 0.18 -0.05 -0.97 -2.27 0.00 0.00 179.45 176.91 3iwf h ASN 18 N 0.27 0.80 -0.88 4.20 -1.24 -2.00 -1.88 115.58 114.85 3iwf h ASN 18 Ca 0.22 -0.33 -0.01 0.00 0.71 0.00 0.00 56.30 56.88 3iwf h ASN 18 Cb 0.25 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 39.04 3iwf h ASN 18 CO -0.26 0.94 0.50 -0.33 -1.29 0.00 0.00 177.43 177.00 3iwf h GLU 19 N 0.64 1.21 -0.78 6.67 5.08 -1.80 -2.27 114.58 123.34 3iwf h GLU 19 Ca 0.12 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3iwf h GLU 19 Cb 0.56 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3iwf h GLU 19 CO 0.03 0.87 0.33 0.87 -1.00 0.00 0.00 179.01 180.12 3iwf h LYS 20 N 1.22 1.15 -0.55 2.33 1.57 -0.53 0.68 116.57 122.44 3iwf h LYS 20 Ca 0.31 -0.19 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 3iwf h LYS 20 Cb -0.00 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 3iwf h LYS 20 CO -0.05 0.92 0.30 -0.22 -0.57 0.00 0.00 179.45 179.82 3iwf h LYS 21 N 1.11 0.56 -0.12 3.15 3.64 -0.87 0.17 116.57 124.22 3iwf h LYS 21 Ca 0.26 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 3iwf h LYS 21 Cb 0.18 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3iwf h LYS 21 CO -0.03 0.37 -0.03 0.82 -2.27 0.00 0.00 179.45 178.32 3iwf h ILE 22 N 0.58 1.29 -0.75 2.00 2.04 -1.02 -2.57 117.51 119.08 3iwf h ILE 22 Ca 0.24 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 65.09 3iwf h ILE 22 Cb 0.11 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 3iwf h ILE 22 CO -0.14 0.28 0.29 0.00 0.00 0.00 0.00 178.15 178.58 3iwf h ALA 23 N 0.69 0.98 -0.91 1.87 0.00 -0.68 -1.76 119.26 119.45 3iwf h ALA 23 Ca 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3iwf h ALA 23 Cb 0.44 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3iwf h ALA 23 CO 0.01 0.61 0.50 0.37 0.00 0.00 0.00 179.25 180.74 3iwf h GLN 24 N 1.09 1.26 -0.42 0.00 4.15 -0.66 -0.68 115.11 119.85 3iwf h GLN 24 Ca 0.25 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 3iwf h GLN 24 Cb 0.22 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 3iwf h GLN 24 CO -0.02 0.92 0.21 0.35 -1.93 0.00 0.00 178.83 178.36 3iwf h PHE 25 N 1.27 0.59 -0.64 3.99 3.57 -1.02 0.23 116.94 124.93 3iwf h PHE 25 Ca 0.32 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.80 3iwf h PHE 25 Cb 0.02 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 3iwf h PHE 25 CO 0.01 0.48 0.41 0.82 -2.23 0.00 0.00 178.31 177.80 3iwf h ILE 26 N 0.54 1.17 -0.19 1.41 2.04 -0.94 0.88 117.51 122.42 3iwf h ILE 26 Ca 0.14 -0.33 -0.12 0.00 1.00 0.00 0.00 64.86 65.55 3iwf h ILE 26 Cb 0.10 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3iwf h ILE 26 CO -0.02 0.17 -0.40 -0.07 0.00 0.00 0.00 178.15 177.83 3iwf h LEU 27 N 0.87 0.46 0.00 1.44 3.38 -0.88 -2.52 115.31 118.05 3iwf h LEU 27 Ca 0.23 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 3iwf h LEU 27 Cb -0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3iwf h LEU 27 CO -0.05 0.81 -1.21 0.78 0.09 0.00 0.00 178.44 178.87 3iwf h ASN 28 N 0.36 0.00 -1.51 -0.43 2.35 -0.75 -3.39 115.58 112.21 3iwf h ASN 28 Ca 0.03 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.31 3iwf h ASN 28 Cb 0.86 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 38.83 3iwf h ASN 28 CO 0.07 0.48 -1.02 -1.22 -1.65 0.00 0.00 177.43 174.09 3iwf n TYR 29 N -2.91 1.84 0.12 1.19 4.01 0.29 -4.92 117.16 116.77 3iwf n TYR 29 Ca -0.06 -3.25 0.01 0.00 -0.16 0.00 0.00 57.90 54.44 3iwf n TYR 29 Cb 0.78 -0.33 0.34 0.00 -0.31 0.00 0.00 39.34 39.82 3iwf n TYR 29 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3iwf h PRO 30 N 2.90 0.21 -0.28 -0.72 0.13 -1.64 -1.08 132.00 131.52 3iwf h PRO 30 Ca 0.07 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 3iwf h PRO 30 Cb 0.99 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 3iwf h PRO 30 CO 0.62 0.44 -0.14 1.25 -0.23 0.00 0.00 178.00 179.94 3iwf h HIS 31 N 0.19 0.68 -0.78 1.56 -0.00 -1.91 -3.12 115.15 111.77 3iwf h HIS 31 Ca 0.03 -0.17 0.01 0.00 -0.00 0.00 0.00 60.37 60.25 3iwf h HIS 31 Cb 0.53 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.74 3iwf h HIS 31 CO 0.01 0.84 0.51 -0.22 -0.00 0.00 0.00 177.93 179.07 3iwf h LYS 32 N 0.33 1.00 -0.86 5.26 3.64 -1.83 -2.92 116.57 121.19 3iwf h LYS 32 Ca 0.06 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3iwf h LYS 32 Cb 0.66 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 3iwf h LYS 32 CO 0.04 0.66 0.56 0.28 -2.27 0.00 0.00 179.45 178.73 3iwf h VAL 33 N 1.03 1.13 0.00 2.00 2.07 -1.17 -2.84 116.25 118.47 3iwf h VAL 33 Ca 0.29 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3iwf h VAL 33 Cb -0.08 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.67 3iwf h VAL 33 CO -0.08 0.19 0.00 -0.37 0.02 0.00 0.00 177.57 177.33 3iwf h VAL 34 N 1.05 0.00 -2.87 2.57 -1.51 -1.45 -3.44 116.25 110.60 3iwf h VAL 34 Ca 0.34 -0.27 -0.65 0.00 -1.23 0.00 0.00 66.70 64.90 3iwf h VAL 34 Cb 0.06 1.10 -0.39 0.00 -2.13 0.00 0.00 31.29 29.92 3iwf h VAL 34 CO -0.11 0.00 -0.37 0.59 -1.23 0.00 0.00 177.57 176.46 3iwf n ASN 35 N -2.69 3.77 -4.51 4.19 4.13 -1.07 -4.48 115.26 114.59 3iwf n ASN 35 Ca 0.00 -3.28 -0.25 0.00 1.68 0.00 0.00 54.58 52.74 3iwf n ASN 35 Cb 0.21 -0.84 -0.10 0.00 -1.54 0.00 0.00 39.78 37.50 3iwf n ASN 35 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3iwf s THR 37 N -1.84 2.16 0.39 3.41 -4.23 -1.26 -5.11 115.64 109.16 3iwf s THR 37 Ca 0.30 -2.22 0.08 0.00 -1.18 0.00 0.00 61.69 58.68 3iwf s THR 37 Cb 0.01 -2.56 0.19 0.00 1.34 0.00 0.00 72.50 71.48 3iwf s THR 37 CO -0.10 -0.25 1.95 0.77 -0.54 0.00 0.00 174.62 176.45 3iwf h SER 38 N 2.10 0.33 -0.65 3.99 4.64 -1.96 -1.53 113.55 120.47 3iwf h SER 38 Ca -0.41 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 60.77 3iwf h SER 38 Cb 1.25 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 3iwf h SER 38 CO 0.68 0.40 0.06 1.56 -0.87 0.00 0.00 176.83 178.66 3iwf h GLN 39 N 0.35 1.11 -0.54 4.77 7.50 -1.96 -0.15 115.11 126.19 3iwf h GLN 39 Ca 0.08 -0.32 -0.04 0.00 0.50 0.00 0.00 58.65 58.87 3iwf h GLN 39 Cb 0.25 -0.12 -0.02 0.00 0.05 0.00 0.00 27.48 27.64 3iwf h GLN 39 CO 0.01 1.04 0.17 0.93 -1.50 0.00 0.00 178.83 179.48 3iwf h GLU 40 N 1.02 0.84 -0.47 1.46 5.08 -1.82 -1.02 114.58 119.66 3iwf h GLU 40 Ca 0.19 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3iwf h GLU 40 Cb 0.50 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3iwf h GLU 40 CO 0.02 0.76 0.08 0.82 -1.00 0.00 0.00 179.01 179.70 3iwf h ILE 41 N 0.75 1.25 -0.52 3.13 2.04 -1.13 -1.81 117.51 121.21 3iwf h ILE 41 Ca 0.17 -0.90 0.04 0.00 1.00 0.00 0.00 64.86 65.17 3iwf h ILE 41 Cb 0.27 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 3iwf h ILE 41 CO -0.01 0.32 0.27 0.00 0.00 0.00 0.00 178.15 178.73 3iwf h ALA 42 N 0.96 0.67 -0.60 1.87 0.00 -0.85 -1.48 119.26 119.83 3iwf h ALA 42 Ca 0.14 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3iwf h ALA 42 Cb 0.38 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3iwf h ALA 42 CO 0.01 -0.07 0.11 -0.91 0.00 0.00 0.00 179.25 178.39 3iwf h ASN 43 N 0.53 0.92 -0.73 0.00 2.35 -1.01 -1.26 115.58 116.38 3iwf h ASN 43 Ca 0.23 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3iwf h ASN 43 Cb 0.12 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.22 3iwf h ASN 43 CO -0.15 0.91 0.47 -0.61 -1.65 0.00 0.00 177.43 176.40 3iwf h GLN 44 N 0.91 0.97 -0.42 0.81 5.75 -0.72 -3.20 115.11 119.20 3iwf h GLN 44 Ca 0.19 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 3iwf h GLN 44 Cb 0.39 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.72 3iwf h GLN 44 CO 0.01 0.66 0.00 1.28 -2.65 0.00 0.00 178.83 178.13 3iwf n LEU 45 N -4.41 3.38 -3.90 -2.39 4.77 -0.62 -4.96 117.00 108.88 3iwf n LEU 45 Ca 0.08 -1.63 -0.25 0.00 -0.03 0.00 0.00 56.01 54.18 3iwf n LEU 45 Cb 0.05 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 40.85 3iwf n LEU 45 CO 0.37 0.76 -0.19 1.21 -1.33 0.00 0.00 177.39 178.21 3iwf n GLU 46 N 1.33 -3.72 -4.00 3.23 2.13 -0.55 -4.99 120.64 114.08 3iwf n GLU 46 Ca 0.18 0.46 -0.18 0.00 0.66 0.00 0.00 57.16 58.29 3iwf n GLU 46 Cb 0.56 -4.71 -0.07 0.00 0.27 0.00 0.00 31.44 27.49 3iwf n GLU 46 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 3iwf n THR 47 N -4.37 0.00 -3.39 6.31 5.66 -0.75 -5.06 114.28 112.68 3iwf n THR 47 Ca -0.30 -2.17 -0.35 0.00 -3.05 0.00 0.00 64.05 58.19 3iwf n THR 47 Cb 0.68 1.07 -0.06 0.00 -1.55 0.00 0.00 70.33 70.47 3iwf n THR 47 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3iwf s SER 48 N -3.08 6.77 0.28 1.09 1.04 -1.26 -4.37 113.70 114.16 3iwf s SER 48 Ca 0.35 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.80 3iwf s SER 48 Cb 0.02 -2.27 0.51 0.00 0.10 0.00 0.00 66.02 64.38 3iwf s SER 48 CO 0.24 0.08 1.85 -1.28 0.98 0.00 0.00 173.24 175.11 3iwf h SER 49 N 3.41 0.96 -0.32 7.02 0.87 -1.91 -2.08 113.55 121.50 3iwf h SER 49 Ca -0.48 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.08 3iwf h SER 49 Cb 1.19 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.97 3iwf h SER 49 CO 0.66 0.54 0.10 0.71 -0.53 0.00 0.00 176.83 178.31 3iwf h THR 50 N 1.05 1.18 -0.25 2.23 1.35 -1.93 -1.16 112.91 115.37 3iwf h THR 50 Ca 0.48 -0.62 -0.09 0.00 -0.55 0.00 0.00 66.41 65.63 3iwf h THR 50 Cb 0.40 0.77 -0.01 0.00 -1.73 0.00 0.00 68.15 67.58 3iwf h THR 50 CO -0.24 0.23 -0.23 0.77 -0.25 0.00 0.00 175.52 175.80 3iwf h SER 51 N 0.56 0.47 -0.39 5.36 4.64 -1.78 0.15 113.55 122.56 3iwf h SER 51 Ca 0.13 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 3iwf h SER 51 Cb 0.21 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 3iwf h SER 51 CO -0.00 0.70 0.11 0.40 -0.87 0.00 0.00 176.83 177.17 3iwf h ILE 52 N 0.42 1.22 -0.39 0.95 1.08 -1.03 -1.01 117.51 118.75 3iwf h ILE 52 Ca 0.07 -0.73 -0.05 0.00 -0.39 0.00 0.00 64.86 63.75 3iwf h ILE 52 Cb 0.63 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 3iwf h ILE 52 CO 0.04 0.26 0.04 0.40 -0.69 0.00 0.00 178.15 178.20 3iwf h ILE 53 N 0.48 1.25 -0.56 -0.67 2.04 -0.89 -0.52 117.51 118.65 3iwf h ILE 53 Ca 0.12 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 65.09 3iwf h ILE 53 Cb 0.28 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 3iwf h ILE 53 CO -0.00 0.31 0.34 0.03 0.00 0.00 0.00 178.15 178.83 3iwf h ARG 54 N 0.51 0.65 -0.68 2.37 3.08 -0.62 -0.92 114.38 118.76 3iwf h ARG 54 Ca 0.12 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 3iwf h ARG 54 Cb 0.41 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3iwf h ARG 54 CO 0.01 0.43 0.16 1.25 -1.07 0.00 0.00 179.97 180.75 3iwf h LEU 55 N 0.67 1.03 -0.36 3.04 7.12 -0.94 -0.93 115.31 124.94 3iwf h LEU 55 Ca 0.22 -0.24 0.03 0.00 0.13 0.00 0.00 57.88 58.03 3iwf h LEU 55 Cb 0.02 -0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 39.85 3iwf h LEU 55 CO -0.10 1.00 0.17 0.28 -0.13 0.00 0.00 178.44 179.66 3iwf h SER 56 N 1.01 0.23 0.27 1.25 0.02 -0.70 -1.96 113.55 113.67 3iwf h SER 56 Ca 0.21 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.12 3iwf h SER 56 Cb 0.37 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3iwf h SER 56 CO 0.00 0.18 -0.29 0.11 -1.14 0.00 0.00 176.83 175.69 3iwf h LYS 57 N 0.35 0.05 -0.68 3.45 1.57 -0.91 -0.37 116.57 120.02 3iwf h LYS 57 Ca 0.15 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3iwf h LYS 57 Cb 0.08 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3iwf h LYS 57 CO -0.12 0.34 0.26 -0.22 -0.57 0.00 0.00 179.45 179.14 3iwf h LYS 58 N 0.04 1.00 0.00 3.15 3.64 -0.49 -3.25 116.57 120.66 3iwf h LYS 58 Ca 0.00 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3iwf h LYS 58 Cb 0.54 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3iwf h LYS 58 CO 0.04 0.82 -1.45 1.33 -2.27 0.00 0.00 179.45 177.93 3iwf n VAL 59 N -4.29 0.32 -3.69 2.00 0.24 -0.80 -4.92 118.33 107.19 3iwf n VAL 59 Ca 0.06 -0.51 -0.11 0.00 -2.04 0.00 0.00 64.34 61.74 3iwf n VAL 59 Cb 0.18 -0.16 -0.10 0.00 -1.47 0.00 0.00 33.84 32.29 3iwf n VAL 59 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3iwf s THR 60 N -3.43 -0.02 0.42 3.34 -1.32 -0.19 -5.05 115.64 109.40 3iwf s THR 60 Ca -0.04 0.06 0.11 0.00 -1.21 0.00 0.00 61.69 60.61 3iwf s THR 60 Cb 0.12 -0.66 0.20 0.00 -1.51 0.00 0.00 72.50 70.64 3iwf s THR 60 CO 0.84 0.02 1.99 1.55 -2.21 0.00 0.00 174.62 176.82 3iwf h PRO 61 N 6.63 0.22 0.00 7.08 0.13 -1.83 -1.42 132.00 142.81 3iwf h PRO 61 Ca -0.33 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3iwf h PRO 61 Cb 1.19 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3iwf h PRO 61 CO 0.26 0.28 0.00 0.41 -0.23 0.00 0.00 178.00 178.72 3iwf n GLY 62 N -1.11 -0.69 7.00 1.56 0.00 -1.26 -4.90 105.19 105.79 3iwf n GLY 62 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3iwf n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwf n GLY 63 N 0.31 0.40 0.09 -0.02 0.00 -0.53 -3.63 105.19 101.82 3iwf n GLY 63 Ca 0.12 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 3iwf n GLY 63 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3iwf h PHE 64 N 0.00 0.19 -0.65 1.61 3.57 -1.84 0.13 116.94 119.95 3iwf h PHE 64 Ca 0.00 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3iwf h PHE 64 Cb 0.00 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 3iwf h PHE 64 CO 0.00 0.26 0.29 -0.91 -2.23 0.00 0.00 178.31 175.71 3iwf h ASN 65 N 0.07 0.85 -0.12 0.41 4.21 -2.00 -1.66 115.58 117.34 3iwf h ASN 65 Ca 0.04 -0.10 -0.13 0.00 1.21 0.00 0.00 56.30 57.32 3iwf h ASN 65 Cb 0.14 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.11 3iwf h ASN 65 CO -0.00 0.74 -0.38 -0.08 -1.29 0.00 0.00 177.43 176.41 3iwf h GLU 66 N 0.92 0.64 -0.40 0.81 4.81 -1.47 -1.57 114.58 118.32 3iwf h GLU 66 Ca 0.22 -0.32 0.06 0.00 -0.13 0.00 0.00 59.36 59.20 3iwf h GLU 66 Cb 0.14 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 3iwf h GLU 66 CO -0.02 0.91 0.10 1.25 -0.73 0.00 0.00 179.01 180.51 3iwf h LEU 67 N 0.53 0.05 -0.87 1.64 5.85 -0.27 0.35 115.31 122.59 3iwf h LEU 67 Ca 0.05 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 3iwf h LEU 67 Cb 0.89 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 3iwf h LEU 67 CO 0.08 0.06 -0.05 0.11 -0.34 0.00 0.00 178.44 178.30 3iwf h LYS 68 N 0.23 0.79 -0.41 1.25 1.57 -1.00 -0.07 116.57 118.93 3iwf h LYS 68 Ca 0.19 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 3iwf h LYS 68 Cb 0.22 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3iwf h LYS 68 CO -0.24 0.83 -0.10 1.79 -0.57 0.00 0.00 179.45 181.16 3iwf h THR 69 N 0.73 1.27 -0.48 -0.16 1.35 -0.81 -1.48 112.91 113.32 3iwf h THR 69 Ca 0.13 -1.19 -0.03 0.00 -0.55 0.00 0.00 66.41 64.77 3iwf h THR 69 Cb 0.51 1.20 -0.02 0.00 -1.73 0.00 0.00 68.15 68.11 3iwf h THR 69 CO 0.03 0.40 0.19 0.03 -0.25 0.00 0.00 175.52 175.92 3iwf h ARG 70 N 0.61 0.72 -0.95 4.72 3.08 -0.71 -2.59 114.38 119.27 3iwf h ARG 70 Ca 0.10 -0.13 0.08 0.00 0.07 0.00 0.00 59.98 60.10 3iwf h ARG 70 Cb 0.63 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.49 3iwf h ARG 70 CO 0.04 0.65 0.61 -0.07 -1.07 0.00 0.00 179.97 180.13 3iwf h LEU 71 N 0.64 0.93 -1.95 3.04 3.38 -0.90 -2.49 115.31 117.96 3iwf h LEU 71 Ca 0.16 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3iwf h LEU 71 Cb 0.20 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3iwf h LEU 71 CO -0.01 0.57 -0.11 0.77 0.09 0.00 0.00 178.44 179.74 3iwf h SER 72 N 1.04 0.00 0.28 -0.43 4.64 -0.86 -0.19 113.55 118.02 3iwf h SER 72 Ca 0.42 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.74 3iwf h SER 72 Cb 0.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3iwf h SER 72 CO -0.18 0.11 -0.04 0.11 -0.87 0.00 0.00 176.83 175.97 3iwf h LYS 73 N 0.00 0.00 -0.49 4.77 1.79 -1.42 -2.26 116.57 118.95 3iwf h LYS 73 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3iwf h LYS 73 Cb 0.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 3iwf h LYS 73 CO 0.01 0.04 0.00 1.19 -1.08 0.00 0.00 179.45 179.61 3iwf n PHE 74 N -3.38 0.67 -3.48 -1.35 3.72 -0.09 -4.97 117.46 108.57 3iwf n PHE 74 Ca -0.02 -0.50 -0.19 0.00 -0.05 0.00 0.00 57.45 56.68 3iwf n PHE 74 Cb 0.16 -0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 38.67 3iwf n PHE 74 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3iwf s LEU 75 N -1.02 3.91 0.45 4.37 1.43 -0.85 -5.07 118.68 121.90 3iwf s LEU 75 Ca 0.33 -0.24 -0.25 0.00 -1.03 0.00 0.00 54.13 52.94 3iwf s LEU 75 Cb 0.17 -2.68 -0.08 0.00 0.03 0.00 0.00 46.19 43.63 3iwf s LEU 75 CO 0.22 -0.44 1.38 -2.84 0.23 0.00 0.00 176.35 174.91 3iwf s PRO 76 N -4.16 3.71 0.64 1.29 0.02 -1.26 -4.74 135.00 130.49 3iwf s PRO 76 Ca 0.45 2.32 -0.14 0.00 0.02 0.00 0.00 61.00 63.66 3iwf s PRO 76 Cb -0.09 -2.64 -0.01 0.00 0.02 0.00 0.00 34.50 31.78 3iwf s PRO 76 CO 0.31 -0.77 1.06 0.15 -0.33 0.00 0.00 177.00 177.42 3iwf s LYS 77 N -2.45 3.09 0.07 5.54 1.02 -1.26 -3.97 119.74 121.78 3iwf s LYS 77 Ca 0.61 1.13 0.04 0.00 0.02 0.00 0.00 55.97 57.76 3iwf s LYS 77 Cb -0.42 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.85 3iwf s LYS 77 CO 0.53 -0.99 0.01 -1.21 -0.92 0.00 0.00 175.35 172.77 3iwf s GLU 78 N -4.46 2.63 0.13 1.68 2.02 0.41 -4.83 118.70 116.27 3iwf s GLU 78 Ca 0.62 -0.77 -0.31 0.00 0.02 0.00 0.00 54.97 54.53 3iwf s GLU 78 Cb -0.16 -2.58 -0.08 0.00 0.10 0.00 0.00 34.13 31.41 3iwf s GLU 78 CO 0.45 0.56 1.33 0.08 0.02 0.00 0.00 175.26 177.70 3iwf s VAL 79 N -1.26 3.43 -0.07 2.63 1.01 -1.26 -0.46 120.40 124.41 3iwf s VAL 79 Ca 0.25 1.06 -0.22 0.00 0.00 0.00 0.00 61.98 63.07 3iwf s VAL 79 Cb -0.12 -3.68 -0.30 0.00 0.00 0.00 0.00 36.38 32.29 3iwf s VAL 79 CO 0.17 0.10 0.82 0.74 0.00 0.00 0.00 175.10 176.93 3iwf h THR 80 N 4.17 1.48 -3.25 3.92 2.02 -1.96 -3.46 112.91 115.82 3iwf h THR 80 Ca -0.43 -2.49 -0.26 0.00 0.77 0.00 0.00 66.41 64.00 3iwf h THR 80 Cb 1.21 3.14 -0.33 0.00 -1.74 0.00 0.00 68.15 70.44 3iwf h THR 80 CO 0.83 0.69 -0.62 -1.10 0.37 0.00 0.00 175.52 175.69 3iwf s GLN 81 N -2.41 0.06 -0.85 6.66 -1.52 -1.26 -5.09 119.66 115.25 3iwf s GLN 81 Ca -0.15 0.39 -0.21 0.00 -1.95 0.00 0.00 55.36 53.44 3iwf s GLN 81 Cb 0.01 -0.21 0.10 0.00 -0.22 0.00 0.00 33.01 32.68 3iwf s GLN 81 CO 0.80 -0.20 1.13 0.71 -0.25 0.00 0.00 175.29 177.48 3iwf s TYR 82 N 1.41 2.85 -0.17 0.91 2.02 -1.26 -4.99 117.35 118.11 3iwf s TYR 82 Ca -0.06 -0.98 -0.02 0.00 -0.37 0.00 0.00 57.07 55.63 3iwf s TYR 82 Cb -0.12 -4.36 -0.01 0.00 -0.40 0.00 0.00 41.96 37.07 3iwf s TYR 82 CO -0.06 -1.63 -0.08 -0.80 -1.57 0.00 0.00 175.55 171.41 3iwf s ASN 83 N 3.86 4.24 -0.04 2.29 0.01 -1.26 -5.28 114.94 118.76 3iwf s ASN 83 Ca 0.31 -0.32 -0.05 0.00 -0.71 0.00 0.00 52.86 52.10 3iwf s ASN 83 Cb -0.08 -1.69 -0.20 0.00 0.41 0.00 0.00 41.25 39.69 3iwf s ASN 83 CO -0.02 0.09 2.88 0.52 -1.51 0.00 0.00 177.10 179.06 3iwf n VAL 84 N 4.02 2.32 -3.77 1.60 0.31 -1.26 -5.25 118.33 116.30 3iwf n VAL 84 Ca -0.18 -1.17 -0.10 0.00 -0.01 0.00 0.00 64.34 62.88 3iwf n VAL 84 Cb 0.52 -1.90 -0.05 0.00 -0.91 0.00 0.00 33.84 31.51 3iwf n VAL 84 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3iwf s ASN 97 N 2.25 -0.19 0.13 4.52 0.01 -1.26 -5.33 114.94 115.08 3iwf s ASN 97 Ca 0.51 -0.54 0.05 0.00 -0.71 0.00 0.00 52.86 52.17 3iwf s ASN 97 Cb 0.24 0.53 -0.04 0.00 0.41 0.00 0.00 41.25 42.39 3iwf s ASN 97 CO -0.00 -0.99 -0.12 -1.59 -1.51 0.00 0.00 177.10 172.89 3iwf s LYS 98 N -3.88 1.01 0.20 -0.60 -2.85 0.39 -4.88 119.74 109.12 3iwf s LYS 98 Ca 0.10 -1.29 -0.32 0.00 -1.00 0.00 0.00 55.97 53.45 3iwf s LYS 98 Cb 0.00 -0.75 -0.15 0.00 -2.06 0.00 0.00 37.83 34.88 3iwf s LYS 98 CO -0.04 0.13 1.31 -0.11 0.10 0.00 0.00 175.35 176.74 3iwf n LEU 99 N 0.30 2.34 -4.64 2.77 7.94 -1.26 -0.44 117.00 124.00 3iwf n LEU 99 Ca -0.14 1.14 -0.43 0.00 -1.11 0.00 0.00 56.01 55.47 3iwf n LEU 99 Cb 0.58 -1.32 -0.01 0.00 0.53 0.00 0.00 43.42 43.20 3iwf n LEU 99 CO 0.29 -0.86 0.72 1.57 -1.11 0.00 0.00 177.39 178.00 3iwf n HIS 100 N 1.83 1.71 -1.32 1.96 -0.00 -1.25 -4.67 115.22 113.48 3iwf n HIS 100 Ca 0.14 0.61 -0.35 0.00 -0.00 0.00 0.00 57.72 58.11 3iwf n HIS 100 Cb 0.28 -2.32 0.09 0.00 -0.00 0.00 0.00 29.99 28.04 3iwf n HIS 100 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 3iwf n SER 101 N 0.85 0.60 0.00 0.26 3.41 -1.26 -4.92 113.62 112.56 3iwf n SER 101 Ca 0.07 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 3iwf n SER 101 Cb 0.35 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 3iwf n SER 101 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42