#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3idw s TYR 3 N 0.00 2.94 -1.12 5.64 5.04 -1.26 -4.91 117.35 123.68 3idw s TYR 3 Ca 0.00 1.27 -0.18 0.00 -2.44 0.00 0.00 57.07 55.72 3idw s TYR 3 Cb 0.00 -3.79 0.11 0.00 0.35 0.00 0.00 41.96 38.63 3idw s TYR 3 CO 0.00 -2.30 1.43 0.34 -1.34 0.00 0.00 175.55 173.68 3idw s ASP 4 N -0.20 6.79 0.36 4.32 -1.08 -1.26 -4.81 116.67 120.80 3idw s ASP 4 Ca 0.52 -2.31 0.12 0.00 -0.52 0.00 0.00 52.55 50.36 3idw s ASP 4 Cb -0.42 -2.48 0.70 0.00 -1.46 0.00 0.00 42.92 39.26 3idw s ASP 4 CO 0.53 -1.08 1.82 -0.50 0.52 0.00 0.00 175.17 176.46 3idw h TRP 5 N 8.21 0.05 -0.33 -5.34 4.06 -1.94 -2.91 115.95 117.75 3idw h TRP 5 Ca 0.28 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 61.21 3idw h TRP 5 Cb 0.94 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 29.07 3idw h TRP 5 CO 1.23 0.40 0.16 0.35 -3.56 0.00 0.00 178.44 177.02 3idw h PHE 6 N 0.04 0.47 -0.81 0.49 3.57 -1.87 -0.80 116.94 118.02 3idw h PHE 6 Ca 0.00 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.49 3idw h PHE 6 Cb 0.65 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 3idw h PHE 6 CO 0.00 0.41 0.53 1.49 -2.23 0.00 0.00 178.31 178.51 3idw h GLU 7 N 0.39 1.08 -0.02 1.11 4.57 -1.94 -1.28 114.58 118.49 3idw h GLU 7 Ca 0.11 -0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.24 3idw h GLU 7 Cb 0.11 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 28.44 3idw h GLU 7 CO -0.01 0.73 -0.11 0.35 -1.18 0.00 0.00 179.01 178.78 3idw h PHE 8 N 1.11 -0.28 -0.69 0.92 3.57 -1.27 -0.64 116.94 119.65 3idw h PHE 8 Ca 0.30 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.75 3idw h PHE 8 Cb -0.11 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 3idw h PHE 8 CO -0.01 -0.17 0.20 0.74 -2.23 0.00 0.00 178.31 176.84 3idw h PHE 9 N -0.18 1.11 -0.70 0.41 0.04 -0.89 -1.98 116.94 114.74 3idw h PHE 9 Ca 0.05 -0.11 0.01 0.00 2.80 0.00 0.00 57.97 60.72 3idw h PHE 9 Cb 0.24 -0.32 -0.04 0.00 2.20 0.00 0.00 35.95 38.04 3idw h PHE 9 CO -0.18 0.89 0.47 1.25 -0.60 0.00 0.00 178.31 180.13 3idw h LEU 10 N 1.03 0.80 -1.78 1.54 5.85 -1.11 -1.93 115.31 119.72 3idw h LEU 10 Ca 0.22 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3idw h LEU 10 Cb 0.31 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 3idw h LEU 10 CO -0.01 0.58 -0.11 0.78 -0.34 0.00 0.00 178.44 179.34 3idw h ASN 11 N 0.95 0.00 1.20 1.25 2.35 -0.76 -1.96 115.58 118.61 3idw h ASN 11 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3idw h ASN 11 Cb -0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.27 3idw h ASN 11 CO -0.06 0.11 0.00 0.00 -1.65 0.00 0.00 177.43 175.83 3idw n GLY 13 N 1.13 0.84 3.76 0.00 0.00 -0.74 -4.68 105.19 105.51 3idw n GLY 13 Ca 0.05 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 3idw n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3idw s VAL 14 N -2.00 3.36 0.55 1.61 1.01 -0.84 -5.00 120.40 119.09 3idw s VAL 14 Ca 0.00 1.29 -0.21 0.00 0.00 0.00 0.00 61.98 63.06 3idw s VAL 14 Cb 0.00 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 3idw s VAL 14 CO 0.00 0.25 1.33 -0.62 0.00 0.00 0.00 175.10 176.05 3idw s ASP 15 N -0.95 5.27 0.28 3.32 2.15 -1.26 -4.56 116.67 120.92 3idw s ASP 15 Ca 0.49 2.69 0.01 0.00 0.43 0.00 0.00 52.55 56.17 3idw s ASP 15 Cb -0.32 -2.63 0.56 0.00 -0.30 0.00 0.00 42.92 40.24 3idw s ASP 15 CO 0.41 -1.56 1.84 0.58 -0.17 0.00 0.00 175.17 176.26 3idw h VAL 16 N 1.35 0.92 -0.31 1.11 2.07 -1.98 -1.09 116.25 118.31 3idw h VAL 16 Ca -0.51 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 3idw h VAL 16 Cb 1.30 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3idw h VAL 16 CO 0.57 0.18 0.13 -1.28 0.02 0.00 0.00 177.57 177.19 3idw h SER 17 N 0.99 0.43 0.02 0.57 0.87 -2.01 -2.40 113.55 112.01 3idw h SER 17 Ca 0.50 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.85 3idw h SER 17 Cb 0.50 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 3idw h SER 17 CO -0.27 0.47 -0.16 0.78 -0.53 0.00 0.00 176.83 177.12 3idw h ASN 18 N 0.36 0.27 -0.80 6.23 2.35 -1.80 -2.52 115.58 119.67 3idw h ASN 18 Ca 0.11 -0.06 0.07 0.00 -0.55 0.00 0.00 56.30 55.86 3idw h ASN 18 Cb 0.17 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 38.40 3idw h ASN 18 CO -0.01 0.45 0.48 0.00 -1.65 0.00 0.00 177.43 176.70 3idw h GLN 20 N 0.86 -0.17 -0.21 0.00 4.15 -1.18 -1.42 115.11 117.15 3idw h GLN 20 Ca 0.36 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.79 3idw h GLN 20 Cb 0.20 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 3idw h GLN 20 CO -0.19 -0.03 0.12 -0.09 -1.93 0.00 0.00 178.83 176.72 3idw h ARG 21 N -0.27 0.25 -0.26 1.69 2.43 -1.17 -1.79 114.38 115.26 3idw h ARG 21 Ca -0.02 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 3idw h ARG 21 Cb 0.22 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3idw h ARG 21 CO 0.03 0.16 -0.21 1.88 -1.51 0.00 0.00 179.97 180.32 3idw h TYR 22 N 0.26 0.53 -0.33 2.20 0.05 -1.08 -2.06 116.97 116.54 3idw h TYR 22 Ca 0.08 -0.10 -0.03 0.00 0.05 0.00 0.00 58.73 58.73 3idw h TYR 22 Cb -0.01 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 3idw h TYR 22 CO -0.08 0.67 0.11 1.15 -1.05 0.00 0.00 178.16 178.96 3idw h THR 23 N 0.43 1.20 -0.60 -2.88 2.02 -0.92 0.41 112.91 112.57 3idw h THR 23 Ca 0.07 -0.65 0.07 0.00 0.77 0.00 0.00 66.41 66.67 3idw h THR 23 Cb 0.62 1.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.97 3idw h THR 23 CO 0.04 0.22 0.29 0.40 0.37 0.00 0.00 175.52 176.85 3idw h ILE 24 N 0.39 0.89 -0.21 3.11 2.04 -1.11 -0.64 117.51 121.98 3idw h ILE 24 Ca 0.11 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 3idw h ILE 24 Cb 0.24 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3idw h ILE 24 CO -0.00 0.10 -0.03 0.78 0.00 0.00 0.00 178.15 178.99 3idw h ASN 25 N 0.53 0.39 -0.59 1.72 2.35 -1.12 -0.86 115.58 118.00 3idw h ASN 25 Ca 0.28 -0.35 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 3idw h ASN 25 Cb 0.25 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 3idw h ASN 25 CO -0.22 0.64 0.31 -0.26 -1.65 0.00 0.00 177.43 176.25 3idw h PHE 26 N 0.12 0.82 -0.10 1.19 -1.00 -0.74 -0.91 116.94 116.31 3idw h PHE 26 Ca 0.05 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.81 3idw h PHE 26 Cb 0.46 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.76 3idw h PHE 26 CO 0.05 0.60 0.06 -0.44 -1.61 0.00 0.00 178.31 176.97 3idw h ASP 27 N 0.79 0.12 -0.70 2.17 3.32 -1.06 -1.27 116.42 119.79 3idw h ASP 27 Ca 0.21 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 3idw h ASP 27 Cb 0.07 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3idw h ASP 27 CO -0.03 0.12 0.42 -0.09 -1.72 0.00 0.00 179.24 177.94 3idw h ARG 28 N 0.12 0.96 -0.05 3.56 2.43 -0.97 -2.59 114.38 117.82 3idw h ARG 28 Ca 0.04 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3idw h ARG 28 Cb 0.02 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 3idw h ARG 28 CO -0.01 0.68 0.00 0.39 -1.51 0.00 0.00 179.97 179.52 3idw n GLU 29 N -4.54 1.17 -2.63 0.20 -0.58 -0.36 -4.91 120.64 108.98 3idw n GLU 29 Ca 0.06 -0.25 -0.13 0.00 -0.42 0.00 0.00 57.16 56.42 3idw n GLU 29 Cb 0.06 -1.20 0.02 0.00 -0.57 0.00 0.00 31.44 29.75 3idw n GLU 29 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3idw n GLN 30 N -0.42 -2.56 -2.77 3.49 1.13 -0.94 -5.00 117.38 110.31 3idw n GLN 30 Ca 0.09 0.53 -0.41 0.00 -1.94 0.00 0.00 57.00 55.27 3idw n GLN 30 Cb 0.09 -4.60 -0.05 0.00 0.11 0.00 0.00 30.24 25.80 3idw n GLN 30 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3idw s LEU 31 N -3.94 4.54 0.31 1.08 1.02 -0.52 -5.06 118.68 116.11 3idw s LEU 31 Ca 0.15 1.80 0.05 0.00 0.02 0.00 0.00 54.13 56.15 3idw s LEU 31 Cb -0.07 -3.55 -0.06 0.00 0.02 0.00 0.00 46.19 42.53 3idw s LEU 31 CO 0.19 0.02 0.01 0.42 0.02 0.00 0.00 176.35 177.00 3idw s THR 32 N -0.41 1.41 0.33 5.49 -4.23 -1.26 -4.75 115.64 112.23 3idw s THR 32 Ca 0.44 -2.05 0.02 0.00 -1.18 0.00 0.00 61.69 58.92 3idw s THR 32 Cb -0.24 -2.64 0.27 0.00 1.34 0.00 0.00 72.50 71.23 3idw s THR 32 CO 0.30 -0.14 1.97 -0.08 -0.54 0.00 0.00 174.62 176.13 3idw h GLU 33 N 2.18 0.90 0.00 3.99 4.81 -1.97 -2.06 114.58 122.43 3idw h GLU 33 Ca -0.41 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3idw h GLU 33 Cb 1.24 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.41 3idw h GLU 33 CO 0.69 0.60 0.00 0.38 -0.73 0.00 0.00 179.01 179.95 3idw h ASP 34 N 0.93 0.00 0.39 1.04 2.03 -2.02 -1.89 116.42 116.90 3idw h ASP 34 Ca 0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 3idw h ASP 34 Cb 0.04 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.54 3idw h ASP 34 CO -0.08 0.00 -0.20 0.23 -1.03 0.00 0.00 179.24 178.16 3idw n MET 35 N -2.66 0.59 -0.31 4.15 2.81 -0.77 -4.35 117.12 116.58 3idw n MET 35 Ca 0.01 -0.26 0.08 0.00 -1.81 0.00 0.00 57.70 55.72 3idw n MET 35 Cb 0.23 -1.49 0.29 0.00 -0.71 0.00 0.00 33.22 31.53 3idw n MET 35 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 3idw h MET 36 N 0.64 0.87 0.00 0.03 2.86 -1.41 0.04 114.93 117.96 3idw h MET 36 Ca 0.00 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3idw h MET 36 Cb 0.43 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 3idw h MET 36 CO 0.00 0.58 -0.01 -1.35 1.06 0.00 0.00 176.91 177.19 3idw h PRO 37 N 0.90 0.00 0.00 -0.22 0.11 -1.82 -2.59 132.00 128.37 3idw h PRO 37 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 3idw h PRO 37 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3idw h PRO 37 CO -0.22 0.01 -0.56 -0.25 -0.21 0.00 0.00 178.00 176.77 3idw n ASP 38 N -3.12 0.54 -4.72 -2.05 8.00 -0.01 -4.90 116.55 110.29 3idw n ASP 38 Ca -0.02 -0.27 -0.42 0.00 0.71 0.00 0.00 54.79 54.80 3idw n ASP 38 Cb 0.17 0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 3idw n ASP 38 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3idw s ILE 39 N -3.02 3.03 0.37 0.53 1.01 -0.98 -5.01 121.20 117.13 3idw s ILE 39 Ca 0.10 0.76 0.05 0.00 0.00 0.00 0.00 60.65 61.56 3idw s ILE 39 Cb 0.17 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 3idw s ILE 39 CO 0.71 0.07 0.19 0.54 0.00 0.00 0.00 174.94 176.46 3idw s ASN 40 N 0.96 2.21 0.24 3.58 2.20 -1.26 -5.06 114.94 117.81 3idw s ASN 40 Ca 0.65 -1.70 -0.06 0.00 -0.94 0.00 0.00 52.86 50.80 3idw s ASN 40 Cb -0.39 0.53 0.24 0.00 -2.00 0.00 0.00 41.25 39.62 3idw s ASN 40 CO 0.33 -0.99 1.89 0.78 -2.94 0.00 0.00 177.10 176.17 3idw h ASN 41 N 1.97 1.15 -0.35 3.54 2.35 -1.95 -2.07 115.58 120.22 3idw h ASN 41 Ca -0.31 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 3idw h ASN 41 Cb 1.25 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 39.32 3idw h ASN 41 CO 0.48 0.87 0.22 -1.28 -1.65 0.00 0.00 177.43 176.07 3idw h SER 42 N 1.32 0.40 -0.45 5.81 0.87 -1.99 -1.10 113.55 118.41 3idw h SER 42 Ca 0.35 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.85 3idw h SER 42 Cb -0.07 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 3idw h SER 42 CO -0.07 0.31 0.15 -0.03 -0.53 0.00 0.00 176.83 176.66 3idw h MET 43 N 0.46 0.69 -0.36 2.24 1.85 -1.91 -1.00 114.93 116.90 3idw h MET 43 Ca 0.13 -0.14 -0.03 0.00 -0.61 0.00 0.00 59.70 59.04 3idw h MET 43 Cb -0.03 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 31.87 3idw h MET 43 CO -0.03 0.65 0.09 -0.07 -0.40 0.00 0.00 176.91 177.15 3idw h LEU 44 N 0.59 0.48 -0.34 3.39 3.38 -1.07 -0.39 115.31 121.35 3idw h LEU 44 Ca 0.15 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3idw h LEU 44 Cb 0.24 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3idw h LEU 44 CO -0.01 0.49 -0.06 -0.09 0.09 0.00 0.00 178.44 178.86 3idw h ARG 45 N 0.52 0.63 -0.87 1.13 2.43 -0.82 -2.05 114.38 115.35 3idw h ARG 45 Ca 0.12 -0.23 0.08 0.00 -0.81 0.00 0.00 59.98 59.14 3idw h ARG 45 Cb 0.20 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.64 3idw h ARG 45 CO -0.00 0.79 0.53 1.15 -1.51 0.00 0.00 179.97 180.93 3idw h THR 46 N 0.42 0.97 0.00 0.20 2.02 -0.67 -1.90 112.91 113.95 3idw h THR 46 Ca 0.09 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.96 3idw h THR 46 Cb 0.54 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3idw h THR 46 CO 0.03 0.17 0.00 0.18 0.37 0.00 0.00 175.52 176.26 3idw n LEU 47 N -4.67 0.00 0.00 2.58 4.77 -0.20 -4.91 117.00 114.57 3idw n LEU 47 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3idw n LEU 47 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3idw n LEU 47 CO 0.29 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3idw n GLY 48 N 0.55 0.71 3.76 -0.72 0.00 -0.71 -4.90 105.19 103.88 3idw n GLY 48 Ca 0.18 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 3idw n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3idw s LEU 49 N 0.00 4.52 0.63 0.99 1.02 -0.81 -5.01 118.68 120.01 3idw s LEU 49 Ca 0.00 2.34 -0.18 0.00 0.02 0.00 0.00 54.13 56.31 3idw s LEU 49 Cb 0.00 -3.63 -0.02 0.00 0.02 0.00 0.00 46.19 42.56 3idw s LEU 49 CO 0.00 -0.23 1.22 -0.13 0.02 0.00 0.00 176.35 177.23 3idw s ARG 50 N -1.39 2.76 0.26 1.70 1.81 -1.26 -4.70 118.95 118.12 3idw s ARG 50 Ca 0.46 1.84 -0.02 0.00 -1.72 0.00 0.00 55.73 56.29 3idw s ARG 50 Cb -0.33 -1.90 0.44 0.00 -0.45 0.00 0.00 34.95 32.71 3idw s ARG 50 CO 0.43 -1.38 1.85 0.93 -0.68 0.00 0.00 175.30 176.45 3idw h GLU 51 N 0.60 0.98 -0.87 3.54 4.39 -2.00 0.35 114.58 121.57 3idw h GLU 51 Ca -0.50 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.19 3idw h GLU 51 Cb 1.30 -0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 29.68 3idw h GLU 51 CO 0.54 0.65 0.55 0.78 -1.16 0.00 0.00 179.01 180.37 3idw h GLY 52 N 1.01 1.28 1.62 -3.84 0.00 -2.00 -2.47 103.07 98.67 3idw h GLY 52 Ca 0.44 -0.41 -0.15 0.00 0.00 0.00 0.00 47.33 47.20 3idw h GLY 52 CO -0.22 0.33 -0.59 -0.55 0.00 0.00 0.00 176.54 175.51 3idw h ASP 53 N 1.05 0.44 -0.31 0.19 3.32 -1.35 -2.12 116.42 117.64 3idw h ASP 53 Ca 0.36 -0.25 0.05 0.00 0.02 0.00 0.00 57.03 57.22 3idw h ASP 53 Cb 0.07 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 3idw h ASP 53 CO -0.14 0.93 0.00 0.40 -1.72 0.00 0.00 179.24 178.71 3idw h ILE 54 N 0.30 0.78 -0.03 0.35 2.04 -0.88 -0.04 117.51 120.02 3idw h ILE 54 Ca -0.00 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.85 3idw h ILE 54 Cb 1.11 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3idw h ILE 54 CO 0.10 0.02 -0.10 0.58 0.00 0.00 0.00 178.15 178.75 3idw h VAL 55 N 0.09 0.75 -0.31 1.67 2.07 -1.22 -0.25 116.25 119.05 3idw h VAL 55 Ca 0.15 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.70 3idw h VAL 55 Cb 0.20 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3idw h VAL 55 CO -0.25 0.00 0.13 0.03 0.02 0.00 0.00 177.57 177.50 3idw h ARG 56 N -0.15 0.27 -0.26 1.57 3.08 -1.16 -0.01 114.38 117.72 3idw h ARG 56 Ca 0.05 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 3idw h ARG 56 Cb 0.21 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3idw h ARG 56 CO -0.12 0.18 -0.06 0.28 -1.07 0.00 0.00 179.97 179.18 3idw h VAL 57 N 0.28 1.28 -0.57 2.04 2.07 -0.86 -2.06 116.25 118.42 3idw h VAL 57 Ca 0.14 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 3idw h VAL 57 Cb 0.08 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3idw h VAL 57 CO -0.12 0.34 0.12 0.24 0.02 0.00 0.00 177.57 178.17 3idw h MET 58 N 0.26 0.89 -0.50 1.57 2.86 -0.87 -0.84 114.93 118.30 3idw h MET 58 Ca 0.07 -0.19 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3idw h MET 58 Cb 0.53 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 3idw h MET 58 CO 0.03 0.81 0.33 -0.22 1.06 0.00 0.00 176.91 178.91 3idw h LYS 59 N 0.85 0.65 -0.15 1.72 3.64 -0.89 0.24 116.57 122.64 3idw h LYS 59 Ca 0.18 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3idw h LYS 59 Cb 0.33 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3idw h LYS 59 CO 0.00 0.43 0.08 1.25 -2.27 0.00 0.00 179.45 178.95 3idw h HIS 60 N 0.67 0.20 -0.57 1.91 2.76 -1.00 -2.04 115.15 117.08 3idw h HIS 60 Ca 0.18 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.26 3idw h HIS 60 Cb -0.08 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 3idw h HIS 60 CO -0.04 0.18 0.02 -0.07 -1.30 0.00 0.00 177.93 176.72 3idw h LEU 61 N 0.15 0.97 -0.81 0.26 3.38 -1.00 -0.20 115.31 118.06 3idw h LEU 61 Ca 0.05 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3idw h LEU 61 Cb 0.05 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3idw h LEU 61 CO -0.01 1.03 0.44 0.44 0.09 0.00 0.00 178.44 180.43 3idw h ASP 62 N 0.88 1.01 -0.54 -0.43 3.32 -0.89 -0.14 116.42 119.62 3idw h ASP 62 Ca 0.16 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 3idw h ASP 62 Cb 0.52 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3idw h ASP 62 CO 0.03 0.82 0.17 0.50 -1.72 0.00 0.00 179.24 179.03 3idw h LYS 63 N 1.12 0.85 -0.29 3.56 1.63 -1.16 0.22 116.57 122.50 3idw h LYS 63 Ca 0.28 -0.18 0.02 0.00 -0.85 0.00 0.00 60.65 59.92 3idw h LYS 63 Cb 0.03 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.52 3idw h LYS 63 CO -0.05 0.77 0.15 -0.22 -3.45 0.00 0.00 179.45 176.66 3idw h LYS 64 N 0.75 0.30 -0.37 1.90 3.64 -0.49 -3.00 116.57 119.31 3idw h LYS 64 Ca 0.18 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3idw h LYS 64 Cb 0.28 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3idw h LYS 64 CO -0.01 0.20 0.00 1.19 -2.27 0.00 0.00 179.45 178.56 3idw n PHE 65 N -4.96 0.49 -2.29 1.91 3.72 -0.11 -4.93 117.46 111.28 3idw n PHE 65 Ca -0.01 -0.24 -0.11 0.00 -0.05 0.00 0.00 57.45 57.04 3idw n PHE 65 Cb 0.07 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.61 3idw n PHE 65 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3idw n GLY 66 N 1.26 -0.04 0.26 1.37 0.00 -0.65 -5.05 105.19 102.34 3idw n GLY 66 Ca 0.17 -0.42 0.15 0.00 0.00 0.00 0.00 46.02 45.92 3idw n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86