#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1owg s LEU 3 N 0.00 4.40 0.20 0.00 2.96 -1.26 -5.02 118.68 119.96 1owg s LEU 3 Ca 0.00 2.64 0.03 0.00 -0.22 0.00 0.00 54.13 56.58 1owg s LEU 3 Cb 0.00 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 1owg s LEU 3 CO 0.00 -0.65 -0.03 0.42 -1.32 0.00 0.00 176.35 174.78 1owg s THR 4 N -0.22 1.01 0.31 3.68 -4.23 -1.26 -5.03 115.64 109.90 1owg s THR 4 Ca 0.57 -2.03 0.03 0.00 -1.18 0.00 0.00 61.69 59.07 1owg s THR 4 Cb -0.41 -2.18 0.29 0.00 1.34 0.00 0.00 72.50 71.54 1owg s THR 4 CO 0.45 -0.45 1.88 0.11 -0.54 0.00 0.00 174.62 176.06 1owg h LYS 5 N 2.58 0.90 -0.68 3.99 1.57 -1.99 -0.27 116.57 122.68 1owg h LYS 5 Ca -0.38 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.40 1owg h LYS 5 Cb 1.21 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 33.26 1owg h LYS 5 CO 0.64 0.60 0.39 0.00 -0.57 0.00 0.00 179.45 180.51 1owg h ALA 6 N 1.54 0.92 -0.20 3.86 0.00 -1.98 0.40 119.26 123.80 1owg h ALA 6 Ca 0.43 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.20 1owg h ALA 6 Cb 0.40 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1owg h ALA 6 CO -0.19 0.09 -0.48 0.93 0.00 0.00 0.00 179.25 179.59 1owg h GLU 7 N 0.73 0.53 -0.19 0.00 5.08 -1.58 -1.00 114.58 118.14 1owg h GLU 7 Ca 0.30 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1owg h GLU 7 Cb 0.16 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1owg h GLU 7 CO -0.17 0.89 -0.03 0.52 -1.00 0.00 0.00 179.01 179.22 1owg h MET 8 N 0.42 0.36 -0.61 2.33 2.86 -0.36 -2.33 114.93 117.60 1owg h MET 8 Ca 0.02 -0.13 0.10 0.00 -2.06 0.00 0.00 59.70 57.63 1owg h MET 8 Cb 1.00 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.56 1owg h MET 8 CO 0.09 0.60 0.22 0.77 1.06 0.00 0.00 176.91 179.65 1owg h SER 9 N 0.08 0.20 -0.55 1.22 0.02 -0.08 -1.94 113.55 112.51 1owg h SER 9 Ca 0.05 0.08 0.05 0.00 -0.84 0.00 0.00 61.79 61.13 1owg h SER 9 Cb 0.46 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.02 1owg h SER 9 CO 0.02 0.12 0.28 -0.08 -1.14 0.00 0.00 176.83 176.02 1owg h GLU 10 N 0.39 0.51 -0.90 3.45 4.57 -0.99 -1.40 114.58 120.22 1owg h GLU 10 Ca 0.31 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.44 1owg h GLU 10 Cb 0.39 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 1owg h GLU 10 CO -0.32 0.34 0.51 1.88 -1.18 0.00 0.00 179.01 180.24 1owg h TYR 11 N 0.53 1.22 -0.32 0.92 -1.99 -0.81 0.49 116.97 117.01 1owg h TYR 11 Ca 0.25 -0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.91 1owg h TYR 11 Cb 0.17 -0.39 -0.02 0.00 2.00 0.00 0.00 36.73 38.49 1owg h TYR 11 CO -0.10 0.83 0.01 -0.07 -0.00 0.00 0.00 178.16 178.83 1owg h LEU 12 N 1.25 0.45 -0.01 3.88 3.38 -0.93 0.26 115.31 123.59 1owg h LEU 12 Ca 0.32 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1owg h LEU 12 Cb 0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1owg h LEU 12 CO -0.05 0.52 -0.02 0.15 0.09 0.00 0.00 178.44 179.13 1owg h PHE 13 N 0.47 0.04 0.06 1.13 3.57 -0.33 -2.41 116.94 119.47 1owg h PHE 13 Ca 0.10 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1owg h PHE 13 Cb 0.30 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1owg h PHE 13 CO 0.01 0.55 -0.03 -0.44 -2.23 0.00 0.00 178.31 176.17 1owg h ASP 14 N -0.48 -0.06 -0.45 0.41 3.32 -0.71 -1.23 116.42 117.22 1owg h ASP 14 Ca 0.00 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.11 1owg h ASP 14 Cb 0.54 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 1owg h ASP 14 CO 0.00 -0.01 0.30 0.50 -1.72 0.00 0.00 179.24 178.31 1owg h LYS 15 N -0.14 0.35 -0.08 3.56 1.63 -0.67 -3.06 116.57 118.16 1owg h LYS 15 Ca -0.01 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1owg h LYS 15 Cb 0.06 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1owg h LYS 15 CO 0.01 0.23 0.00 1.28 -3.45 0.00 0.00 179.45 177.52 1owg n LEU 16 N -4.47 2.06 -4.13 5.20 4.77 -0.92 -5.01 117.00 114.50 1owg n LEU 16 Ca 0.06 -1.81 -0.33 0.00 -0.03 0.00 0.00 56.01 53.90 1owg n LEU 16 Cb 0.26 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1owg n LEU 16 CO 0.35 0.51 -0.05 0.61 -1.33 0.00 0.00 177.39 177.47 1owg n GLY 17 N -0.15 -0.40 3.93 -0.72 0.00 -0.47 -4.95 105.19 102.44 1owg n GLY 17 Ca 0.03 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1owg n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1owg s LEU 18 N -7.21 3.32 0.54 0.99 1.43 -1.17 -5.02 118.68 111.56 1owg s LEU 18 Ca 0.57 0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 54.02 1owg s LEU 18 Cb -0.31 -3.36 -0.06 0.00 0.03 0.00 0.00 46.19 42.49 1owg s LEU 18 CO 0.91 -1.01 1.05 -0.94 0.23 0.00 0.00 176.35 176.59 1owg s SER 19 N -4.30 6.08 0.51 2.29 1.04 -1.26 -4.58 113.70 113.48 1owg s SER 19 Ca 0.53 1.87 0.18 0.00 0.48 0.00 0.00 55.95 59.01 1owg s SER 19 Cb -0.10 -2.55 1.26 0.00 0.10 0.00 0.00 66.02 64.73 1owg s SER 19 CO 0.43 -0.96 2.08 0.11 0.98 0.00 0.00 173.24 175.88 1owg h LYS 20 N 1.02 0.07 0.63 4.02 1.79 -1.96 -0.05 116.57 122.09 1owg h LYS 20 Ca -0.48 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 57.95 1owg h LYS 20 Cb 1.22 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 31.86 1owg h LYS 20 CO 0.58 0.05 -0.30 -0.09 -1.08 0.00 0.00 179.45 178.61 1owg h ARG 21 N 0.07 -0.82 -0.43 3.15 2.43 -2.00 -2.40 114.38 114.39 1owg h ARG 21 Ca 0.11 0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 1owg h ARG 21 Cb 0.34 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1owg h ARG 21 CO -0.01 -0.51 0.04 -0.44 -1.51 0.00 0.00 179.97 177.54 1owg h ASP 22 N -0.95 0.63 0.84 -3.80 3.32 -1.78 -2.23 116.42 112.45 1owg h ASP 22 Ca -0.09 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 1owg h ASP 22 Cb 0.68 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 1owg h ASP 22 CO 0.14 0.67 -0.06 0.00 -1.72 0.00 0.00 179.24 178.28 1owg h ALA 23 N 1.41 1.03 0.05 3.45 0.00 -1.01 -0.91 119.26 123.27 1owg h ALA 23 Ca 0.14 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1owg h ALA 23 Cb 0.34 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1owg h ALA 23 CO 0.01 0.07 -1.13 -0.22 0.00 0.00 0.00 179.25 177.98 1owg h LYS 24 N 0.00 0.10 -0.59 0.00 3.64 -1.00 -3.28 116.57 115.43 1owg h LYS 24 Ca -0.00 -0.17 -0.11 0.00 -1.27 0.00 0.00 60.65 59.10 1owg h LYS 24 Cb 0.50 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1owg h LYS 24 CO 0.01 1.08 -0.05 1.49 -2.27 0.00 0.00 179.45 179.71 1owg h GLU 25 N -0.70 1.07 -0.17 1.90 4.81 -1.37 -2.66 114.58 117.46 1owg h GLU 25 Ca -0.28 -0.37 0.03 0.00 -0.13 0.00 0.00 59.36 58.62 1owg h GLU 25 Cb 1.45 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.72 1owg h GLU 25 CO -0.06 1.07 -0.03 -0.07 -0.73 0.00 0.00 179.01 179.18 1owg h LEU 26 N 0.96 -0.13 -0.18 1.64 3.38 -1.34 0.18 115.31 119.82 1owg h LEU 26 Ca 0.16 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.20 1owg h LEU 26 Cb 0.62 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1owg h LEU 26 CO 0.04 -0.04 0.02 0.58 0.09 0.00 0.00 178.44 179.13 1owg h VAL 27 N 0.02 0.90 -0.37 1.22 2.07 -1.60 0.99 116.25 119.47 1owg h VAL 27 Ca 0.08 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.61 1owg h VAL 27 Cb 0.12 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1owg h VAL 27 CO -0.16 0.02 0.14 -0.08 0.02 0.00 0.00 177.57 177.50 1owg h GLU 28 N 0.09 0.30 -0.76 1.57 4.57 -1.09 -2.38 114.58 116.87 1owg h GLU 28 Ca 0.08 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1owg h GLU 28 Cb 0.09 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 1owg h GLU 28 CO -0.12 0.20 0.36 -0.07 -1.18 0.00 0.00 179.01 178.19 1owg h LEU 29 N 0.30 0.99 -0.08 1.64 3.38 -0.30 -0.69 115.31 120.55 1owg h LEU 29 Ca 0.17 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1owg h LEU 29 Cb 0.13 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 1owg h LEU 29 CO -0.16 0.84 -0.29 0.15 0.09 0.00 0.00 178.44 179.07 1owg h PHE 30 N 1.08 -0.78 -0.30 1.13 3.57 -0.29 0.44 116.94 121.79 1owg h PHE 30 Ca 0.26 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.63 1owg h PHE 30 Cb 0.12 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1owg h PHE 30 CO 0.01 -0.37 -0.46 0.74 -2.23 0.00 0.00 178.31 176.00 1owg h PHE 31 N -0.39 0.94 -0.65 0.41 0.04 -1.39 -2.95 116.94 112.96 1owg h PHE 31 Ca 0.08 -0.30 0.02 0.00 2.80 0.00 0.00 57.97 60.57 1owg h PHE 31 Cb 0.51 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.43 1owg h PHE 31 CO -0.35 1.08 0.41 1.49 -0.60 0.00 0.00 178.31 180.34 1owg h GLU 32 N 0.62 0.79 -0.15 1.51 4.57 -0.53 -0.26 114.58 121.12 1owg h GLU 32 Ca 0.04 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1owg h GLU 32 Cb 1.03 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 1owg h GLU 32 CO 0.10 0.52 -0.09 1.49 -1.18 0.00 0.00 179.01 179.85 1owg h GLU 33 N 0.81 0.23 -0.08 1.92 4.57 -0.07 -0.39 114.58 121.57 1owg h GLU 33 Ca 0.25 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.33 1owg h GLU 33 Cb -0.01 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1owg h GLU 33 CO -0.09 0.34 -0.17 0.82 -1.18 0.00 0.00 179.01 178.73 1owg h ILE 34 N 0.23 1.41 -0.79 2.32 2.04 -1.11 -2.09 117.51 119.51 1owg h ILE 34 Ca 0.05 -1.48 0.04 0.00 1.00 0.00 0.00 64.86 64.47 1owg h ILE 34 Cb 0.31 2.17 -0.05 0.00 -0.74 0.00 0.00 36.82 38.51 1owg h ILE 34 CO 0.02 0.42 0.50 0.03 0.00 0.00 0.00 178.15 179.11 1owg h ARG 35 N -0.20 0.93 0.23 2.37 3.08 -0.67 -1.92 114.38 118.19 1owg h ARG 35 Ca 0.00 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1owg h ARG 35 Cb 0.76 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1owg h ARG 35 CO 0.04 0.61 -0.16 0.00 -1.07 0.00 0.00 179.97 179.39 1owg h ARG 36 N 0.96 -0.37 -0.47 0.04 3.08 -1.03 0.35 114.38 116.93 1owg h ARG 36 Ca 0.32 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.46 1owg h ARG 36 Cb 0.05 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1owg h ARG 36 CO -0.13 -0.25 0.32 0.00 -1.07 0.00 0.00 179.97 178.84 1owg h ALA 37 N 0.36 1.93 -0.09 0.04 0.00 -1.19 -1.71 119.26 118.60 1owg h ALA 37 Ca -0.02 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1owg h ALA 37 Cb 0.34 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1owg h ALA 37 CO 0.00 -0.01 -0.52 -0.07 0.00 0.00 0.00 179.25 178.66 1owg h LEU 38 N 0.40 0.62 -1.08 0.00 3.38 -0.75 0.76 115.31 118.65 1owg h LEU 38 Ca 0.20 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1owg h LEU 38 Cb 0.30 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1owg h LEU 38 CO -0.05 1.17 0.00 1.05 0.09 0.00 0.00 178.44 180.70 1owg h GLU 39 N 0.11 0.00 -0.48 1.13 4.11 0.43 0.87 114.58 120.75 1owg h GLU 39 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1owg h GLU 39 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1owg h GLU 39 CO 0.11 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.28 1owg n ASN 40 N -2.46 2.70 -0.79 3.06 3.02 -0.71 -4.92 115.26 115.15 1owg n ASN 40 Ca 0.01 -1.98 -0.09 0.00 -0.03 0.00 0.00 54.58 52.49 1owg n ASN 40 Cb 0.21 -0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 39.03 1owg n ASN 40 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1owg n GLY 41 N 1.31 0.62 3.80 7.41 0.00 0.30 -5.03 105.19 113.61 1owg n GLY 41 Ca 0.17 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 1owg n GLY 41 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1owg s GLU 42 N -3.43 3.26 0.47 1.61 2.12 0.25 -5.02 118.70 117.97 1owg s GLU 42 Ca 0.00 -0.24 -0.21 0.00 0.36 0.00 0.00 54.97 54.88 1owg s GLU 42 Cb 0.00 -3.04 -0.09 0.00 0.26 0.00 0.00 34.13 31.27 1owg s GLU 42 CO 0.00 0.75 1.03 -1.14 -0.54 0.00 0.00 175.26 175.36 1owg s GLN 43 N -0.98 3.86 -0.22 4.30 0.74 -1.26 -3.99 119.66 122.12 1owg s GLN 43 Ca 0.14 1.37 0.00 0.00 0.05 0.00 0.00 55.36 56.92 1owg s GLN 43 Cb -0.12 -2.15 0.03 0.00 1.10 0.00 0.00 33.01 31.87 1owg s GLN 43 CO 0.03 -0.38 -0.13 0.08 -0.55 0.00 0.00 175.29 174.34 1owg s VAL 44 N -1.95 2.38 -0.28 1.34 1.01 -0.72 -4.99 120.40 117.18 1owg s VAL 44 Ca 0.66 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1owg s VAL 44 Cb -0.17 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 34.09 1owg s VAL 44 CO 0.20 0.31 0.00 -0.54 0.00 0.00 0.00 175.10 175.08 1owg s LYS 45 N 1.27 2.72 -0.52 2.72 1.02 -1.26 -0.08 119.74 125.61 1owg s LYS 45 Ca 0.01 -1.08 -0.04 0.00 0.02 0.00 0.00 55.97 54.88 1owg s LYS 45 Cb -0.16 -3.17 0.13 0.00 -0.52 0.00 0.00 37.83 34.12 1owg s LYS 45 CO -0.08 -0.51 0.33 -0.51 -0.92 0.00 0.00 175.35 173.66 1owg s LEU 46 N 1.34 5.32 0.24 3.17 1.43 -0.20 -5.00 118.68 124.97 1owg s LEU 46 Ca -0.01 -2.39 -0.30 0.00 -1.03 0.00 0.00 54.13 50.40 1owg s LEU 46 Cb -0.18 -1.86 -0.15 0.00 0.03 0.00 0.00 46.19 44.03 1owg s LEU 46 CO -0.01 -0.48 1.04 -0.24 0.23 0.00 0.00 176.35 176.88 1owg n SER 47 N 4.14 1.15 0.00 2.29 2.88 -1.26 -0.98 113.62 121.84 1owg n SER 47 Ca 0.02 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1owg n SER 47 Cb 0.40 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 1owg n SER 47 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1owg n GLY 48 N 1.61 2.70 0.00 0.46 0.00 -1.26 -4.76 105.19 103.93 1owg n GLY 48 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1owg n GLY 48 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1owg n PHE 49 N -2.00 0.00 -1.27 1.61 7.35 -0.15 -4.03 117.46 118.96 1owg n PHE 49 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1owg n PHE 49 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1owg n PHE 49 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1owg n GLY 50 N 4.19 -1.31 3.57 7.13 0.00 -0.32 -0.96 105.19 117.49 1owg n GLY 50 Ca 0.00 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 1owg n GLY 50 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1owg s ASN 51 N -1.62 4.37 -0.36 1.61 0.01 -0.28 -1.03 114.94 117.63 1owg s ASN 51 Ca 0.00 -0.40 -0.05 0.00 -0.71 0.00 0.00 52.86 51.70 1owg s ASN 51 Cb 0.00 -0.82 0.06 0.00 0.41 0.00 0.00 41.25 40.90 1owg s ASN 51 CO 0.00 0.17 0.13 -0.36 -1.51 0.00 0.00 177.10 175.53 1owg s PHE 52 N -1.23 3.34 0.12 2.20 0.40 0.89 0.71 117.98 124.41 1owg s PHE 52 Ca 0.21 -1.74 0.04 0.00 -0.60 0.00 0.00 56.93 54.84 1owg s PHE 52 Cb -0.11 -2.55 -0.04 0.00 0.51 0.00 0.00 43.02 40.83 1owg s PHE 52 CO 0.14 -0.82 0.12 -0.51 0.70 0.00 0.00 175.22 174.85 1owg s ASP 53 N 1.59 5.62 -0.11 1.36 1.01 0.59 -1.76 116.67 124.96 1owg s ASP 53 Ca 0.00 -0.03 -0.02 0.00 0.71 0.00 0.00 52.55 53.21 1owg s ASP 53 Cb -0.21 -1.52 -0.03 0.00 1.01 0.00 0.00 42.92 42.17 1owg s ASP 53 CO 0.00 0.12 -0.02 -0.76 0.21 0.00 0.00 175.17 174.73 1owg s LEU 54 N -2.74 3.43 -0.02 1.23 1.43 -1.26 0.43 118.68 121.18 1owg s LEU 54 Ca 0.31 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.47 1owg s LEU 54 Cb -0.11 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 1owg s LEU 54 CO 0.23 0.30 -0.11 -0.13 0.23 0.00 0.00 176.35 176.88 1owg s ARG 55 N -0.43 0.99 -0.27 1.70 0.52 -0.49 -4.98 118.95 115.99 1owg s ARG 55 Ca 0.07 -0.38 -0.14 0.00 -0.52 0.00 0.00 55.73 54.77 1owg s ARG 55 Cb -0.12 -0.93 -0.04 0.00 0.52 0.00 0.00 34.95 34.38 1owg s ARG 55 CO 0.02 0.19 0.32 -0.51 0.02 0.00 0.00 175.30 175.34 1owg s ASP 56 N -0.06 6.19 -0.21 0.23 1.01 -1.26 -0.39 116.67 122.18 1owg s ASP 56 Ca 0.01 0.21 -0.05 0.00 0.71 0.00 0.00 52.55 53.43 1owg s ASP 56 Cb -0.06 -2.18 -0.02 0.00 1.01 0.00 0.00 42.92 41.66 1owg s ASP 56 CO 0.00 -0.14 0.01 -0.54 0.21 0.00 0.00 175.17 174.71 1owg s LYS 57 N 1.93 3.63 0.98 8.23 -0.14 0.18 -4.99 119.74 129.56 1owg s LYS 57 Ca 0.13 -0.51 -0.12 0.00 -1.36 0.00 0.00 55.97 54.10 1owg s LYS 57 Cb -0.16 -3.11 0.18 0.00 -1.68 0.00 0.00 37.83 33.06 1owg s LYS 57 CO 0.10 -0.01 1.09 -0.80 -0.76 0.00 0.00 175.35 174.97 1owg s ASN 58 N 1.07 2.73 0.63 2.83 0.01 -1.26 -1.16 114.94 119.79 1owg s ASN 58 Ca 0.02 1.29 -0.17 0.00 -0.71 0.00 0.00 52.86 53.30 1owg s ASN 58 Cb -0.14 -1.96 -0.02 0.00 0.41 0.00 0.00 41.25 39.54 1owg s ASN 58 CO 0.02 -3.08 1.15 -1.58 -1.51 0.00 0.00 177.10 172.10 1owg s GLN 59 N -4.93 2.87 0.14 -0.60 0.74 -1.26 -4.56 119.66 112.07 1owg s GLN 59 Ca 0.65 1.60 -0.21 0.00 0.05 0.00 0.00 55.36 57.44 1owg s GLN 59 Cb -0.19 -1.94 0.06 0.00 1.10 0.00 0.00 33.01 32.04 1owg s GLN 59 CO 0.58 -1.23 0.54 -0.98 -0.55 0.00 0.00 175.29 173.65 1owg s ARG 60 N -3.70 1.21 0.24 1.67 1.70 -1.01 -4.95 118.95 114.11 1owg s ARG 60 Ca 0.72 -0.51 -0.31 0.00 -0.47 0.00 0.00 55.73 55.15 1owg s ARG 60 Cb -0.25 0.55 -0.12 0.00 -0.57 0.00 0.00 34.95 34.56 1owg s ARG 60 CO 0.37 -0.51 1.65 -0.35 -1.08 0.00 0.00 175.30 175.37 1owg n PRO 61 N -0.29 2.67 -1.25 3.89 -0.04 -1.26 0.20 135.00 138.92 1owg n PRO 61 Ca -0.17 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 1owg n PRO 61 Cb 0.64 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 1owg n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1owg n GLY 62 N 3.13 4.47 3.78 0.55 0.00 0.84 -4.72 105.19 113.25 1owg n GLY 62 Ca 0.13 -1.57 0.02 0.00 0.00 0.00 0.00 46.02 44.60 1owg n GLY 62 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1owg s ARG 63 N -0.87 0.41 -0.52 1.61 1.70 -1.10 -1.64 118.95 118.54 1owg s ARG 63 Ca 0.00 -0.25 -0.19 0.00 -0.47 0.00 0.00 55.73 54.83 1owg s ARG 63 Cb 0.00 0.13 0.07 0.00 -0.57 0.00 0.00 34.95 34.58 1owg s ARG 63 CO 0.00 -0.19 0.63 1.21 -1.08 0.00 0.00 175.30 175.87 1owg s ASN 64 N -3.35 6.21 0.58 -2.89 3.84 -0.09 -4.76 114.94 114.48 1owg s ASN 64 Ca 0.21 -1.06 0.32 0.00 0.21 0.00 0.00 52.86 52.54 1owg s ASN 64 Cb 0.02 -2.29 1.40 0.00 -0.55 0.00 0.00 41.25 39.84 1owg s ASN 64 CO -0.02 -0.93 1.72 -0.65 -2.79 0.00 0.00 177.10 174.43 1owg h PRO 65 N 9.02 0.00 0.00 0.43 0.11 -1.92 0.67 132.00 140.31 1owg h PRO 65 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1owg h PRO 65 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1owg h PRO 65 CO 0.99 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.41 1owg n LYS 66 N -3.79 0.00 0.07 1.05 4.76 -1.26 -4.55 118.16 114.44 1owg n LYS 66 Ca 0.20 0.33 -0.13 0.00 -2.87 0.00 0.00 58.31 55.84 1owg n LYS 66 Cb 1.14 -0.89 -0.09 0.00 -1.84 0.00 0.00 35.03 33.35 1owg n LYS 66 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1owg h THR 67 N 0.00 1.04 0.00 -0.18 1.35 -1.97 -3.47 112.91 109.67 1owg h THR 67 Ca 0.00 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1owg h THR 67 Cb 0.00 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1owg h THR 67 CO 0.00 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 1owg n GLY 68 N -0.25 1.16 3.63 5.82 0.00 0.23 -5.03 105.19 110.74 1owg n GLY 68 Ca -0.09 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.44 1owg n GLY 68 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1owg n GLU 69 N -0.35 1.79 -1.89 1.61 2.13 -1.25 -4.45 120.64 118.22 1owg n GLU 69 Ca 0.00 0.62 -0.42 0.00 0.66 0.00 0.00 57.16 58.01 1owg n GLU 69 Cb 0.00 -2.60 -0.03 0.00 0.27 0.00 0.00 31.44 29.08 1owg n GLU 69 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1owg s ASP 70 N 5.18 6.56 0.00 4.31 1.11 -1.26 -0.91 116.67 131.66 1owg s ASP 70 Ca 0.98 2.59 0.02 0.00 0.18 0.00 0.00 52.55 56.31 1owg s ASP 70 Cb -0.74 -2.58 -0.01 0.00 1.07 0.00 0.00 42.92 40.67 1owg s ASP 70 CO 0.51 -0.88 -0.05 -0.63 1.18 0.00 0.00 175.17 175.30 1owg s ILE 71 N 2.02 0.41 0.32 0.77 1.01 -0.65 -4.89 121.20 120.19 1owg s ILE 71 Ca 0.73 -0.30 -0.24 0.00 0.00 0.00 0.00 60.65 60.85 1owg s ILE 71 Cb -0.42 -0.36 -0.10 0.00 0.01 0.00 0.00 42.46 41.59 1owg s ILE 71 CO 0.32 0.06 0.90 -2.16 0.00 0.00 0.00 174.94 174.07 1owg s PRO 72 N -0.26 4.47 -0.66 2.79 0.04 -1.26 -0.11 135.00 140.01 1owg s PRO 72 Ca 0.01 1.21 -0.20 0.00 0.04 0.00 0.00 61.00 62.06 1owg s PRO 72 Cb -0.03 -2.73 0.10 0.00 0.04 0.00 0.00 34.50 31.88 1owg s PRO 72 CO -0.00 0.26 0.84 0.42 0.04 0.00 0.00 177.00 178.56 1owg s ILE 73 N -1.68 4.66 0.48 0.56 1.01 0.13 -4.79 121.20 121.57 1owg s ILE 73 Ca 0.50 -0.87 -0.20 0.00 0.00 0.00 0.00 60.65 60.08 1owg s ILE 73 Cb -0.17 -4.59 -0.12 0.00 0.01 0.00 0.00 42.46 37.60 1owg s ILE 73 CO 0.22 -1.28 0.43 0.35 0.00 0.00 0.00 174.94 174.65 1owg n THR 74 N 5.63 1.64 -1.67 2.92 -2.24 -1.26 -2.39 114.28 116.90 1owg n THR 74 Ca -0.04 -0.50 -0.36 0.00 -2.27 0.00 0.00 64.05 60.89 1owg n THR 74 Cb 0.44 -0.49 0.07 0.00 -2.10 0.00 0.00 70.33 68.25 1owg n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1owg s ALA 75 N -1.64 2.30 0.17 6.98 0.00 -1.26 -4.69 121.76 123.63 1owg s ALA 75 Ca 0.64 1.06 -0.24 0.00 0.00 0.00 0.00 51.96 53.42 1owg s ALA 75 Cb -0.54 -3.51 0.06 0.00 0.00 0.00 0.00 23.12 19.14 1owg s ALA 75 CO 0.58 -1.64 0.95 -0.98 0.00 0.00 0.00 175.76 174.68 1owg s ARG 76 N -3.57 1.26 -0.20 0.00 1.70 -0.31 -4.95 118.95 112.89 1owg s ARG 76 Ca 0.79 -0.72 -0.00 0.00 -0.47 0.00 0.00 55.73 55.33 1owg s ARG 76 Cb -0.33 0.42 0.02 0.00 -0.57 0.00 0.00 34.95 34.49 1owg s ARG 76 CO 0.41 -0.58 -0.14 0.50 -1.08 0.00 0.00 175.30 174.41 1owg s ARG 77 N -3.19 3.00 0.28 3.89 3.52 -1.26 0.51 118.95 125.70 1owg s ARG 77 Ca 0.13 -0.84 0.09 0.00 -0.13 0.00 0.00 55.73 54.98 1owg s ARG 77 Cb -0.02 -2.75 -0.04 0.00 -1.56 0.00 0.00 34.95 30.58 1owg s ARG 77 CO 0.03 -0.26 0.09 0.14 -0.81 0.00 0.00 175.30 174.49 1owg s VAL 78 N 1.32 3.67 -0.22 7.11 -7.23 0.47 -4.91 120.40 120.61 1owg s VAL 78 Ca 0.04 -1.72 -0.10 0.00 -1.81 0.00 0.00 61.98 58.39 1owg s VAL 78 Cb -0.14 -3.04 -0.05 0.00 0.56 0.00 0.00 36.38 33.71 1owg s VAL 78 CO -0.09 -0.33 0.14 -0.69 -0.31 0.00 0.00 175.10 173.82 1owg s VAL 79 N -2.29 5.30 0.23 1.32 1.01 -1.26 -1.40 120.40 123.32 1owg s VAL 79 Ca 0.33 0.15 0.11 0.00 0.00 0.00 0.00 61.98 62.57 1owg s VAL 79 Cb -0.06 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 1owg s VAL 79 CO 0.22 0.38 -0.16 0.42 0.00 0.00 0.00 175.10 175.97 1owg s THR 80 N 0.80 2.75 -0.15 3.92 -4.23 0.17 -4.96 115.64 113.94 1owg s THR 80 Ca 0.07 -2.08 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1owg s THR 80 Cb -0.13 -2.40 0.01 0.00 1.34 0.00 0.00 72.50 71.33 1owg s THR 80 CO 0.02 -0.26 -0.21 0.12 -0.54 0.00 0.00 174.62 173.75 1owg s PHE 81 N -2.09 2.63 -0.53 3.99 5.36 -1.26 -0.30 117.98 125.77 1owg s PHE 81 Ca 0.27 -1.39 -0.07 0.00 -0.96 0.00 0.00 56.93 54.78 1owg s PHE 81 Cb -0.07 -1.81 0.14 0.00 -0.34 0.00 0.00 43.02 40.94 1owg s PHE 81 CO 0.14 -0.66 0.39 1.03 -1.46 0.00 0.00 175.22 174.67 1owg s ARG 82 N 0.97 2.53 0.49 10.12 1.81 0.22 -4.94 118.95 130.15 1owg s ARG 82 Ca -0.04 -2.02 -0.23 0.00 -1.72 0.00 0.00 55.73 51.72 1owg s ARG 82 Cb -0.15 -3.88 -0.08 0.00 -0.45 0.00 0.00 34.95 30.40 1owg s ARG 82 CO -0.05 -1.18 1.25 -0.35 -0.68 0.00 0.00 175.30 174.29 1owg n PRO 83 N 4.44 1.70 -2.18 3.54 -0.04 -1.26 -1.13 135.00 140.07 1owg n PRO 83 Ca -0.01 0.61 -0.27 0.00 -0.04 0.00 0.00 63.50 63.79 1owg n PRO 83 Cb 0.41 -2.41 0.13 0.00 -0.04 0.00 0.00 33.50 31.59 1owg n PRO 83 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1owg s GLY 84 N -0.76 1.74 0.10 0.55 0.00 -0.13 -4.85 107.32 103.98 1owg s GLY 84 Ca 0.66 -1.23 -0.16 0.00 0.00 0.00 0.00 44.72 43.99 1owg s GLY 84 CO 0.54 -0.63 1.53 -1.61 0.00 0.00 0.00 173.10 172.92 1owg h GLN 85 N -1.03 0.59 -0.05 2.90 5.75 -1.94 -1.37 115.11 119.96 1owg h GLN 85 Ca -0.42 -0.20 0.04 0.00 -0.15 0.00 0.00 58.65 57.91 1owg h GLN 85 Cb 1.27 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.73 1owg h GLN 85 CO 0.46 0.74 -0.22 -0.22 -2.65 0.00 0.00 178.83 176.94 1owg h LYS 86 N 0.38 -0.31 -0.01 1.69 3.64 -1.90 -0.12 116.57 119.94 1owg h LYS 86 Ca 0.09 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1owg h LYS 86 Cb 0.49 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1owg h LYS 86 CO 0.02 -0.21 0.01 1.25 -2.27 0.00 0.00 179.45 178.25 1owg h LEU 87 N -0.32 0.01 -0.77 5.20 5.85 -1.69 -2.24 115.31 121.35 1owg h LEU 87 Ca 0.08 -0.09 0.18 0.00 0.84 0.00 0.00 57.88 58.88 1owg h LEU 87 Cb 0.43 -0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.34 1owg h LEU 87 CO -0.24 0.10 0.19 0.11 -0.34 0.00 0.00 178.44 178.26 1owg h LYS 88 N -0.08 0.25 -0.60 1.25 1.57 -0.89 -0.12 116.57 117.95 1owg h LYS 88 Ca 0.00 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1owg h LYS 88 Cb 0.09 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1owg h LYS 88 CO -0.00 0.16 0.21 0.77 -0.57 0.00 0.00 179.45 180.02 1owg h SER 89 N 0.26 0.86 0.16 0.86 0.02 -0.77 -1.80 113.55 113.14 1owg h SER 89 Ca 0.45 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1owg h SER 89 Cb 0.79 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 1owg h SER 89 CO -0.55 0.83 -0.04 0.03 -1.14 0.00 0.00 176.83 175.96 1owg h ARG 90 N 0.85 0.00 -0.00 3.45 3.08 -0.44 -3.15 114.38 118.17 1owg h ARG 90 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1owg h ARG 90 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1owg h ARG 90 CO -0.01 0.04 -0.47 0.28 -1.07 0.00 0.00 179.97 178.73 1owg n VAL 91 N -3.59 0.00 -0.11 2.04 0.31 -0.79 -4.65 118.33 111.54 1owg n VAL 91 Ca -0.02 -0.26 0.07 0.00 -0.01 0.00 0.00 64.34 64.11 1owg n VAL 91 Cb 0.14 1.04 0.40 0.00 -0.91 0.00 0.00 33.84 34.51 1owg n VAL 91 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1owg h GLU 92 N 0.34 0.62 -0.52 5.55 4.11 -1.29 -2.04 114.58 121.35 1owg h GLU 92 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1owg h GLU 92 Cb 0.31 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1owg h GLU 92 CO 0.00 0.41 0.00 0.09 0.07 0.00 0.00 179.01 179.58 1owg n ASN 93 N -4.47 3.99 -4.75 3.06 4.13 -1.26 -4.99 115.26 110.96 1owg n ASN 93 Ca 0.08 -2.33 -0.38 0.00 1.68 0.00 0.00 54.58 53.64 1owg n ASN 93 Cb 0.21 -0.46 0.04 0.00 -1.54 0.00 0.00 39.78 38.03 1owg n ASN 93 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1owg s ALA 94 N -1.60 2.69 -0.32 5.41 0.00 -0.77 -4.99 121.76 122.19 1owg s ALA 94 Ca 0.42 1.24 0.03 0.00 0.00 0.00 0.00 51.96 53.64 1owg s ALA 94 Cb 0.26 -3.54 0.09 0.00 0.00 0.00 0.00 23.12 19.93 1owg s ALA 94 CO 0.21 -1.35 0.01 0.45 0.00 0.00 0.00 175.76 175.09 1owg s SER 95 N -1.17 4.72 -0.33 0.00 0.15 -1.26 -5.05 113.70 110.76 1owg s SER 95 Ca 0.74 -1.87 -0.29 0.00 0.70 0.00 0.00 55.95 55.23 1owg s SER 95 Cb -0.38 -1.63 -0.13 0.00 -1.71 0.00 0.00 66.02 62.18 1owg s SER 95 CO 0.43 -0.33 1.42 -2.65 1.20 0.00 0.00 173.24 173.31 1owg n PRO 96 N 4.35 0.00 0.00 5.44 -0.02 -1.26 -5.29 135.00 138.23 1owg n PRO 96 Ca -0.03 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.53 1owg n PRO 96 Cb 0.42 -1.00 0.49 0.00 -0.02 0.00 0.00 33.50 33.40 1owg n PRO 96 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65