#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1orc s ARG 4 N 0.00 3.70 -0.04 -1.09 0.52 -1.26 -4.78 118.95 115.99 1orc s ARG 4 Ca 0.00 1.45 0.06 0.00 -0.52 0.00 0.00 55.73 56.72 1orc s ARG 4 Cb 0.00 -2.11 -0.02 0.00 0.52 0.00 0.00 34.95 33.34 1orc s ARG 4 CO 0.00 -0.53 -0.21 0.42 0.02 0.00 0.00 175.30 175.00 1orc s ILE 5 N -1.89 2.50 0.76 1.52 1.01 -0.14 -4.90 121.20 120.06 1orc s ILE 5 Ca 0.68 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 60.30 1orc s ILE 5 Cb -0.19 -1.93 0.05 0.00 0.01 0.00 0.00 42.46 40.40 1orc s ILE 5 CO 0.23 0.58 1.09 0.42 0.00 0.00 0.00 174.94 177.25 1orc s THR 6 N -0.55 3.41 0.22 2.92 -4.23 -1.26 -0.27 115.64 115.88 1orc s THR 6 Ca 0.08 0.47 -0.09 0.00 -1.18 0.00 0.00 61.69 60.96 1orc s THR 6 Cb -0.11 -2.98 0.18 0.00 1.34 0.00 0.00 72.50 70.92 1orc s THR 6 CO 0.01 -0.59 1.88 0.25 -0.54 0.00 0.00 174.62 175.62 1orc h LEU 7 N -1.04 0.88 -0.52 4.79 5.85 -1.69 -0.92 115.31 122.66 1orc h LEU 7 Ca -0.44 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 1orc h LEU 7 Cb 1.23 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1orc h LEU 7 CO 0.52 0.62 0.24 0.50 -0.34 0.00 0.00 178.44 179.98 1orc h LYS 8 N 1.04 0.75 -0.20 1.25 3.64 -1.91 -1.53 116.57 119.61 1orc h LYS 8 Ca 0.31 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 59.46 1orc h LYS 8 Cb -0.06 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1orc h LYS 8 CO -0.09 0.63 -0.35 -0.44 -2.27 0.00 0.00 179.45 176.94 1orc h ASP 9 N 0.69 0.44 -0.54 4.20 3.32 -1.81 -2.05 116.42 120.66 1orc h ASP 9 Ca 0.18 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1orc h ASP 9 Cb 0.14 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1orc h ASP 9 CO -0.02 0.76 0.20 0.22 -1.72 0.00 0.00 179.24 178.67 1orc h TYR 10 N 0.36 0.84 -0.50 4.55 5.03 -0.87 -1.79 116.97 124.59 1orc h TYR 10 Ca 0.04 -0.07 -0.07 0.00 2.58 0.00 0.00 58.73 61.21 1orc h TYR 10 Cb 0.78 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.79 1orc h TYR 10 CO 0.02 0.70 0.03 0.00 -1.32 0.00 0.00 178.16 177.60 1orc h ALA 11 N 1.05 1.12 -0.08 1.82 0.00 -1.13 0.82 119.26 122.87 1orc h ALA 11 Ca 0.18 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1orc h ALA 11 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1orc h ALA 11 CO -0.01 0.57 -0.36 0.52 0.00 0.00 0.00 179.25 179.97 1orc h MET 12 N 0.76 0.16 0.19 0.00 2.86 -1.09 0.22 114.93 118.03 1orc h MET 12 Ca 0.15 -0.06 -0.33 0.00 -2.06 0.00 0.00 59.70 57.40 1orc h MET 12 Cb 0.41 -0.01 0.02 0.00 0.06 0.00 0.00 31.60 32.08 1orc h MET 12 CO 0.01 0.50 -1.57 0.00 1.06 0.00 0.00 176.91 176.91 1orc h ARG 13 N 0.14 0.41 0.00 1.72 3.08 -0.63 -3.41 114.38 115.68 1orc h ARG 13 Ca 0.02 -0.69 0.00 0.00 0.07 0.00 0.00 59.98 59.37 1orc h ARG 13 Cb 0.70 0.26 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1orc h ARG 13 CO 0.05 1.31 -0.46 1.19 -1.07 0.00 0.00 179.97 180.99 1orc n PHE 14 N -3.60 0.00 0.00 3.04 3.72 0.22 -5.10 117.46 115.74 1orc n PHE 14 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1orc n PHE 14 Cb 1.08 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 1orc n PHE 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1orc n GLY 15 N 1.29 1.12 0.20 1.37 0.00 0.77 -4.39 105.19 105.53 1orc n GLY 15 Ca 0.01 -1.71 -0.01 0.00 0.00 0.00 0.00 46.02 44.31 1orc n GLY 15 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1orc h GLN 16 N 0.00 0.20 0.08 1.61 4.20 -1.93 -2.37 115.11 116.89 1orc h GLN 16 Ca 0.00 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1orc h GLN 16 Cb 0.00 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1orc h GLN 16 CO 0.00 0.56 -0.04 1.15 -0.67 0.00 0.00 178.83 179.83 1orc h THR 17 N 0.17 1.12 -0.68 -0.54 2.02 -1.95 -0.96 112.91 112.09 1orc h THR 17 Ca 0.02 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 1orc h THR 17 Cb 0.76 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.73 1orc h THR 17 CO 0.06 0.18 0.26 0.50 0.37 0.00 0.00 175.52 176.89 1orc h LYS 18 N -0.43 1.01 -0.18 6.66 3.64 -1.76 -1.40 116.57 124.11 1orc h LYS 18 Ca -0.01 -0.18 0.03 0.00 -1.27 0.00 0.00 60.65 59.22 1orc h LYS 18 Cb 0.37 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1orc h LYS 18 CO 0.02 0.83 0.01 1.15 -2.27 0.00 0.00 179.45 179.19 1orc h THR 19 N 0.99 0.89 -0.54 1.00 2.02 -1.26 0.21 112.91 116.22 1orc h THR 19 Ca 0.23 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.38 1orc h THR 19 Cb 0.21 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1orc h THR 19 CO -0.02 0.01 0.34 0.00 0.37 0.00 0.00 175.52 176.22 1orc h ALA 20 N 1.14 0.69 -0.39 6.16 0.00 -0.95 -1.79 119.26 124.11 1orc h ALA 20 Ca 0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1orc h ALA 20 Cb 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1orc h ALA 20 CO -0.13 0.16 0.11 1.57 0.00 0.00 0.00 179.25 180.96 1orc h LYS 21 N 0.73 0.62 0.00 0.00 2.10 -0.84 0.15 116.57 119.32 1orc h LYS 21 Ca 0.19 -0.14 -0.02 0.00 -2.00 0.00 0.00 60.65 58.68 1orc h LYS 21 Cb -0.04 -0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 31.20 1orc h LYS 21 CO -0.04 0.63 -0.10 -0.44 -2.00 0.00 0.00 179.45 177.50 1orc h ASP 22 N 0.49 0.00 0.26 7.07 3.32 -0.22 -2.48 116.42 124.87 1orc h ASP 22 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1orc h ASP 22 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1orc h ASP 22 CO -0.00 0.10 -0.87 0.18 -1.72 0.00 0.00 179.24 176.93 1orc n LEU 23 N -4.40 0.72 -2.32 1.55 4.77 -0.71 -4.58 117.00 112.04 1orc n LEU 23 Ca -0.03 -0.21 -0.15 0.00 -0.03 0.00 0.00 56.01 55.59 1orc n LEU 23 Cb 0.18 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1orc n LEU 23 CO 0.35 0.15 0.12 0.61 -1.33 0.00 0.00 177.39 177.29 1orc n GLY 24 N 1.46 -0.00 3.46 -0.72 0.00 0.44 -4.71 105.19 105.12 1orc n GLY 24 Ca 0.04 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1orc n GLY 24 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1orc s VAL 25 N -3.14 1.19 0.41 1.61 -7.23 -0.65 -5.03 120.40 107.55 1orc s VAL 25 Ca 0.33 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.51 1orc s VAL 25 Cb -0.14 -2.78 -0.01 0.00 0.56 0.00 0.00 36.38 34.00 1orc s VAL 25 CO 0.40 0.00 0.61 -0.72 -0.31 0.00 0.00 175.10 175.08 1orc s TYR 26 N -3.28 3.28 0.21 2.82 -0.85 -1.26 -4.44 117.35 113.81 1orc s TYR 26 Ca 0.36 0.19 -0.10 0.00 -0.52 0.00 0.00 57.07 57.01 1orc s TYR 26 Cb 0.09 -2.16 0.23 0.00 0.38 0.00 0.00 41.96 40.50 1orc s TYR 26 CO 0.16 -0.19 1.80 0.37 -1.52 0.00 0.00 175.55 176.16 1orc h GLN 27 N 0.56 0.60 -0.97 -3.49 4.15 -1.93 -2.40 115.11 111.64 1orc h GLN 27 Ca -0.47 -0.04 0.15 0.00 0.77 0.00 0.00 58.65 59.06 1orc h GLN 27 Cb 1.24 -0.14 -0.09 0.00 0.21 0.00 0.00 27.48 28.71 1orc h GLN 27 CO 0.58 0.40 0.58 1.03 -1.93 0.00 0.00 178.83 179.49 1orc h SER 28 N 0.62 0.80 -0.27 -0.69 0.87 -1.98 -2.03 113.55 110.86 1orc h SER 28 Ca 0.29 0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.83 1orc h SER 28 Cb 0.21 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1orc h SER 28 CO -0.20 0.37 -0.15 0.00 -0.53 0.00 0.00 176.83 176.32 1orc h ALA 29 N 1.57 1.01 -0.13 6.23 0.00 -1.82 -2.08 119.26 124.04 1orc h ALA 29 Ca 0.51 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1orc h ALA 29 Cb 0.64 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1orc h ALA 29 CO -0.32 0.59 0.07 0.82 0.00 0.00 0.00 179.25 180.41 1orc h ILE 30 N 0.64 1.10 -0.50 0.00 1.08 -1.36 -2.03 117.51 116.44 1orc h ILE 30 Ca 0.10 -0.28 -0.05 0.00 -0.39 0.00 0.00 64.86 64.24 1orc h ILE 30 Cb 0.62 1.06 -0.02 0.00 -3.07 0.00 0.00 36.82 35.41 1orc h ILE 30 CO 0.04 0.09 0.10 -1.13 -0.69 0.00 0.00 178.15 176.56 1orc h ASN 31 N 0.10 0.72 -0.29 1.72 -0.73 -1.26 -1.79 115.58 114.05 1orc h ASN 31 Ca 0.04 -0.13 -0.13 0.00 1.87 0.00 0.00 56.30 57.95 1orc h ASN 31 Cb 0.09 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 38.48 1orc h ASN 31 CO -0.01 0.73 -0.33 0.50 -0.37 0.00 0.00 177.43 177.95 1orc h LYS 32 N 0.74 0.74 -0.76 6.67 3.64 -1.34 -0.33 116.57 125.94 1orc h LYS 32 Ca 0.16 -0.41 0.07 0.00 -1.27 0.00 0.00 60.65 59.21 1orc h LYS 32 Cb 0.31 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.09 1orc h LYS 32 CO 0.00 1.03 0.43 0.00 -2.27 0.00 0.00 179.45 178.65 1orc h ALA 33 N 0.70 1.05 -0.14 5.00 0.00 -0.99 0.26 119.26 125.14 1orc h ALA 33 Ca 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1orc h ALA 33 Cb 0.91 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1orc h ALA 33 CO 0.08 0.11 -0.01 0.82 0.00 0.00 0.00 179.25 180.25 1orc h ILE 34 N 0.77 1.26 -0.63 0.00 2.04 -1.26 -2.65 117.51 117.05 1orc h ILE 34 Ca 0.35 -0.85 0.12 0.00 1.00 0.00 0.00 64.86 65.47 1orc h ILE 34 Cb 0.25 1.56 -0.09 0.00 -0.74 0.00 0.00 36.82 37.80 1orc h ILE 34 CO -0.21 0.25 0.15 -0.74 0.00 0.00 0.00 178.15 177.61 1orc h HIS 35 N -0.03 0.24 0.00 1.37 2.76 0.25 0.16 115.15 119.91 1orc h HIS 35 Ca 0.04 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1orc h HIS 35 Cb 0.38 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.33 1orc h HIS 35 CO 0.04 -0.02 0.00 0.00 -1.30 0.00 0.00 177.93 176.65 1orc n ALA 36 N -2.59 1.96 -3.50 5.26 0.00 0.80 -4.91 120.51 117.53 1orc n ALA 36 Ca 0.10 -0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.24 1orc n ALA 36 Cb 0.34 -1.30 0.07 0.00 0.00 0.00 0.00 19.45 18.57 1orc n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1orc n GLY 37 N 0.27 -0.42 3.79 0.00 0.00 0.57 -4.98 105.19 104.43 1orc n GLY 37 Ca 0.08 0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 1orc n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1orc s ARG 38 N -6.21 3.39 -0.83 1.61 0.52 -1.05 -4.93 118.95 111.46 1orc s ARG 38 Ca 0.54 1.31 -0.16 0.00 -0.52 0.00 0.00 55.73 56.90 1orc s ARG 38 Cb -0.24 -2.04 0.17 0.00 0.52 0.00 0.00 34.95 33.37 1orc s ARG 38 CO 0.67 -0.76 0.88 0.15 0.02 0.00 0.00 175.30 176.26 1orc s LYS 39 N -3.76 3.53 -0.10 3.54 1.02 -1.26 -4.92 119.74 117.79 1orc s LYS 39 Ca 0.66 -2.08 0.04 0.00 0.02 0.00 0.00 55.97 54.61 1orc s LYS 39 Cb -0.17 -4.58 -0.00 0.00 -0.52 0.00 0.00 37.83 32.55 1orc s LYS 39 CO 0.32 -1.49 -0.24 0.42 -0.92 0.00 0.00 175.35 173.44 1orc s ILE 40 N 1.35 2.04 -0.04 2.17 1.01 -1.26 -1.24 121.20 125.24 1orc s ILE 40 Ca 0.22 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.89 1orc s ILE 40 Cb -0.10 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.61 1orc s ILE 40 CO -0.07 0.56 -0.13 -0.36 0.00 0.00 0.00 174.94 174.93 1orc s PHE 41 N 0.32 1.36 0.04 3.97 0.08 -0.32 -1.66 117.98 121.77 1orc s PHE 41 Ca -0.18 -0.37 0.06 0.00 0.12 0.00 0.00 56.93 56.56 1orc s PHE 41 Cb -0.18 -0.94 -0.03 0.00 -0.57 0.00 0.00 43.02 41.30 1orc s PHE 41 CO 0.09 -0.14 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.41 1orc s LEU 42 N 0.13 2.76 -0.12 -0.37 1.02 0.63 -1.30 118.68 121.42 1orc s LEU 42 Ca -0.04 -0.36 0.02 0.00 0.02 0.00 0.00 54.13 53.77 1orc s LEU 42 Cb -0.10 -1.60 0.01 0.00 0.02 0.00 0.00 46.19 44.52 1orc s LEU 42 CO 0.01 0.26 -0.19 -0.89 0.02 0.00 0.00 176.35 175.56 1orc s THR 43 N -0.96 1.82 -0.15 5.49 2.01 0.28 -0.96 115.64 123.17 1orc s THR 43 Ca 0.16 -0.84 -0.16 0.00 0.31 0.00 0.00 61.69 61.16 1orc s THR 43 Cb -0.11 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1orc s THR 43 CO 0.06 0.50 0.38 -0.63 -0.69 0.00 0.00 174.62 174.24 1orc s ILE 44 N 0.86 5.25 0.29 1.82 1.01 -1.26 -0.90 121.20 128.28 1orc s ILE 44 Ca -0.07 0.72 -0.03 0.00 0.00 0.00 0.00 60.65 61.27 1orc s ILE 44 Cb -0.15 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1orc s ILE 44 CO -0.01 0.34 0.53 0.20 0.00 0.00 0.00 174.94 176.00 1orc s ASN 45 N 0.62 6.39 0.63 3.58 0.01 -0.35 -4.97 114.94 120.84 1orc s ASN 45 Ca 0.20 0.59 0.42 0.00 -0.71 0.00 0.00 52.86 53.36 1orc s ASN 45 Cb -0.14 -2.09 2.15 0.00 0.41 0.00 0.00 41.25 41.57 1orc s ASN 45 CO 0.07 -0.21 2.26 0.00 -1.51 0.00 0.00 177.10 177.72 1orc h ALA 46 N 1.45 1.00 -0.10 0.60 0.00 -1.98 0.15 119.26 120.38 1orc h ALA 46 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1orc h ALA 46 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1orc h ALA 46 CO 0.65 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.50 1orc n ASP 47 N -3.07 1.01 0.00 0.00 5.68 -1.26 -4.88 116.55 114.03 1orc n ASP 47 Ca -0.02 -1.59 0.00 0.00 -0.50 0.00 0.00 54.79 52.68 1orc n ASP 47 Cb 0.13 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 1orc n ASP 47 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1orc n GLY 48 N 1.00 2.16 3.86 6.12 0.00 0.52 -5.05 105.19 113.80 1orc n GLY 48 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1orc n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1orc s SER 49 N -1.85 5.69 -0.03 1.61 1.04 -1.26 -4.78 113.70 114.12 1orc s SER 49 Ca 0.00 1.35 0.05 0.00 0.48 0.00 0.00 55.95 57.83 1orc s SER 49 Cb 0.00 -2.27 -0.01 0.00 0.10 0.00 0.00 66.02 63.84 1orc s SER 49 CO 0.00 -1.21 -0.18 -0.69 0.98 0.00 0.00 173.24 172.14 1orc s VAL 50 N -3.21 1.47 -0.13 5.02 1.01 -1.26 -1.21 120.40 122.08 1orc s VAL 50 Ca 0.57 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.79 1orc s VAL 50 Cb -0.12 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 1orc s VAL 50 CO 0.53 0.42 -0.12 -0.47 0.00 0.00 0.00 175.10 175.46 1orc s TYR 51 N -0.14 2.83 0.04 5.22 5.04 -0.07 -4.94 117.35 125.33 1orc s TYR 51 Ca 0.00 -0.61 0.09 0.00 -2.44 0.00 0.00 57.07 54.11 1orc s TYR 51 Cb -0.10 -1.85 -0.03 0.00 0.35 0.00 0.00 41.96 40.33 1orc s TYR 51 CO 0.01 -0.19 -0.25 0.00 -1.34 0.00 0.00 175.55 173.78 1orc s ALA 52 N 0.35 2.13 0.03 3.97 0.00 -1.26 -0.55 121.76 126.42 1orc s ALA 52 Ca -0.10 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 50.66 1orc s ALA 52 Cb -0.16 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 1orc s ALA 52 CO 0.05 0.50 -0.07 -1.83 0.00 0.00 0.00 175.76 174.42 1orc s GLU 53 N -1.21 0.47 0.01 0.00 -1.05 -0.42 -1.81 118.70 114.68 1orc s GLU 53 Ca 0.11 -0.63 0.08 0.00 -0.15 0.00 0.00 54.97 54.37 1orc s GLU 53 Cb -0.10 -0.25 -0.03 0.00 -0.44 0.00 0.00 34.13 33.32 1orc s GLU 53 CO 0.02 0.04 -0.23 -2.00 0.95 0.00 0.00 175.26 174.04 1orc s GLU 54 N -1.30 2.06 -0.25 -4.83 2.12 0.37 -1.18 118.70 115.69 1orc s GLU 54 Ca -0.09 -0.96 -0.08 0.00 0.36 0.00 0.00 54.97 54.20 1orc s GLU 54 Cb -0.09 -2.09 -0.03 0.00 0.26 0.00 0.00 34.13 32.18 1orc s GLU 54 CO 0.00 0.55 0.09 0.08 -0.54 0.00 0.00 175.26 175.44 1orc s VAL 55 N -0.74 4.51 -0.13 3.70 1.01 -0.37 -0.85 120.40 127.53 1orc s VAL 55 Ca 0.11 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 1orc s VAL 55 Cb -0.10 -3.11 0.05 0.00 0.00 0.00 0.00 36.38 33.22 1orc s VAL 55 CO 0.01 0.33 0.29 -0.75 0.00 0.00 0.00 175.10 174.98 1orc s LYS 56 N 1.59 0.25 -1.22 2.72 2.20 0.59 -4.39 119.74 121.48 1orc s LYS 56 Ca 0.06 0.63 -0.06 0.00 -0.36 0.00 0.00 55.97 56.25 1orc s LYS 56 Cb -0.15 -0.07 -0.01 0.00 -1.51 0.00 0.00 37.83 36.08 1orc s LYS 56 CO 0.05 -0.18 0.77 -0.25 -0.36 0.00 0.00 175.35 175.38 1orc n ASP 56 N 4.41 -3.06 0.00 1.43 8.00 -1.26 0.54 116.55 126.61 1orc n ASP 56 Ca -0.22 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.44 1orc n ASP 56 Cb 0.53 -4.15 0.00 0.00 -0.02 0.00 0.00 41.12 37.48 1orc n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1orc n GLY 56 N -1.52 1.68 3.76 0.44 0.00 -1.26 -4.93 105.19 103.36 1orc n GLY 56 Ca -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 1orc n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1orc s GLU 56 N 0.00 2.73 -0.37 1.61 0.41 0.19 -5.10 118.70 118.17 1orc s GLU 56 Ca 0.00 -1.06 -0.06 0.00 -0.41 0.00 0.00 54.97 53.44 1orc s GLU 56 Cb 0.00 -2.49 0.07 0.00 -1.78 0.00 0.00 34.13 29.92 1orc s GLU 56 CO 0.00 0.43 0.16 0.54 -0.49 0.00 0.00 175.26 175.91 1orc s VAL 56 N -1.97 3.77 0.21 2.63 0.11 -1.26 0.22 120.40 124.12 1orc s VAL 56 Ca 0.31 -1.41 0.07 0.00 -2.93 0.00 0.00 61.98 58.02 1orc s VAL 56 Cb -0.09 -3.28 -0.05 0.00 -1.53 0.00 0.00 36.38 31.44 1orc s VAL 56 CO 0.23 -0.37 -0.10 -0.54 -3.33 0.00 0.00 175.10 170.98 1orc s LYS 56 N 1.35 1.33 0.59 1.54 -0.14 -0.03 -4.94 119.74 119.45 1orc s LYS 56 Ca 0.01 -1.62 -0.18 0.00 -1.36 0.00 0.00 55.97 52.82 1orc s LYS 56 Cb -0.21 -0.99 -0.03 0.00 -1.68 0.00 0.00 37.83 34.91 1orc s LYS 56 CO 0.01 0.11 1.16 -1.25 -0.76 0.00 0.00 175.35 174.62 1orc s PRO 57 N -3.70 3.05 -0.03 -1.68 0.04 -1.26 0.14 135.00 131.56 1orc s PRO 57 Ca 0.24 1.67 0.03 0.00 0.04 0.00 0.00 61.00 62.98 1orc s PRO 57 Cb 0.01 -1.96 -0.00 0.00 0.04 0.00 0.00 34.50 32.60 1orc s PRO 57 CO 0.07 -1.11 -0.13 0.12 0.04 0.00 0.00 177.00 176.00 1orc s PHE 58 N -1.80 1.25 0.74 0.56 5.36 -0.75 -3.73 117.98 119.61 1orc s PHE 58 Ca 0.74 -0.32 -0.11 0.00 -0.96 0.00 0.00 56.93 56.28 1orc s PHE 58 Cb -0.26 -0.85 0.04 0.00 -0.34 0.00 0.00 43.02 41.60 1orc s PHE 58 CO 0.33 -0.10 1.08 -1.25 -1.46 0.00 0.00 175.22 173.81 1orc s PRO 59 N 0.04 2.55 -0.14 10.12 0.04 -1.26 -4.36 135.00 141.97 1orc s PRO 59 Ca -0.02 1.00 -0.24 0.00 0.04 0.00 0.00 61.00 61.78 1orc s PRO 59 Cb -0.09 -1.94 -0.21 0.00 0.04 0.00 0.00 34.50 32.30 1orc s PRO 59 CO 0.01 -1.39 0.57 0.66 0.04 0.00 0.00 177.00 176.89 1orc h SER 60 N -0.93 0.00 0.00 6.66 4.64 -1.97 -3.52 113.55 118.42 1orc h SER 60 Ca -0.44 -0.78 0.00 0.00 -0.47 0.00 0.00 61.79 60.10 1orc h SER 60 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1orc h SER 60 CO 0.55 1.00 0.00 -3.20 -0.87 0.00 0.00 176.83 174.31