#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oia s PRO 4 N 0.00 2.50 -0.44 5.55 0.04 -1.26 -5.06 135.00 136.33 1oia s PRO 4 Ca 0.00 -1.58 -0.28 0.00 0.04 0.00 0.00 61.00 59.18 1oia s PRO 4 Cb 0.00 -2.45 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 1oia s PRO 4 CO 0.00 -0.39 1.80 -2.00 0.04 0.00 0.00 177.00 176.45 1oia s GLU 5 N -4.29 3.07 -0.64 4.56 2.12 -1.26 -4.90 118.70 117.37 1oia s GLU 5 Ca 0.49 1.09 0.05 0.00 0.36 0.00 0.00 54.97 56.96 1oia s GLU 5 Cb -0.05 -4.26 0.29 0.00 0.26 0.00 0.00 34.13 30.37 1oia s GLU 5 CO 0.30 -2.18 0.87 2.41 -0.54 0.00 0.00 175.26 176.11 1oia n THR 6 N 7.32 2.80 -2.28 -1.70 -1.04 -1.26 -4.93 114.28 113.20 1oia n THR 6 Ca 0.22 -5.40 -0.02 0.00 -2.04 0.00 0.00 64.05 56.81 1oia n THR 6 Cb 0.49 -1.84 -0.01 0.00 -1.82 0.00 0.00 70.33 67.15 1oia n THR 6 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1oia n ARG 7 N 0.45 -2.69 -1.53 -2.82 1.74 -1.26 -4.90 116.66 105.64 1oia n ARG 7 Ca 0.31 2.25 -0.45 0.00 -0.77 0.00 0.00 57.85 59.18 1oia n ARG 7 Cb 0.40 -3.87 -0.02 0.00 -1.02 0.00 0.00 32.46 27.95 1oia n ARG 7 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1oia n PRO 8 N 0.76 0.93 -3.82 5.56 -0.02 -1.26 -4.90 135.00 132.25 1oia n PRO 8 Ca -0.12 0.33 -0.12 0.00 -2.02 0.00 0.00 63.50 61.56 1oia n PRO 8 Cb 0.19 -1.59 -0.09 0.00 -0.02 0.00 0.00 33.50 31.99 1oia n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1oia s ASN 9 N -0.70 -0.06 0.00 2.55 3.84 -1.26 -5.04 114.94 114.26 1oia s ASN 9 Ca 0.60 -0.11 0.31 0.00 0.21 0.00 0.00 52.86 53.87 1oia s ASN 9 Cb -0.76 0.26 1.64 0.00 -0.55 0.00 0.00 41.25 41.83 1oia s ASN 9 CO 0.59 -0.43 2.10 0.00 -2.79 0.00 0.00 177.10 176.57 1oia n HIS 10 N 1.27 0.00 -4.69 0.43 1.44 -1.26 -4.68 115.22 107.73 1oia n HIS 10 Ca -0.22 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.16 1oia n HIS 10 Cb 0.56 -0.16 -0.14 0.00 0.12 0.00 0.00 29.99 30.37 1oia n HIS 10 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1oia s THR 11 N -2.33 3.06 -0.06 0.61 2.01 -1.26 -0.54 115.64 117.13 1oia s THR 11 Ca 0.36 -0.65 -0.03 0.00 0.31 0.00 0.00 61.69 61.68 1oia s THR 11 Cb 0.21 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 1oia s THR 11 CO 0.43 0.52 0.08 0.27 -0.69 0.00 0.00 174.62 175.23 1oia s ILE 12 N 0.46 4.89 -0.20 1.82 -4.36 0.17 -0.99 121.20 122.99 1oia s ILE 12 Ca -0.09 -0.17 -0.08 0.00 -0.26 0.00 0.00 60.65 60.05 1oia s ILE 12 Cb -0.16 -3.16 -0.04 0.00 1.25 0.00 0.00 42.46 40.35 1oia s ILE 12 CO 0.04 0.50 0.07 -0.47 0.24 0.00 0.00 174.94 175.32 1oia s TYR 13 N -1.07 3.22 -0.13 1.37 5.04 0.11 -1.05 117.35 124.84 1oia s TYR 13 Ca 0.18 -0.02 0.01 0.00 -2.44 0.00 0.00 57.07 54.81 1oia s TYR 13 Cb -0.12 -2.13 -0.00 0.00 0.35 0.00 0.00 41.96 40.06 1oia s TYR 13 CO 0.08 0.03 -0.17 0.42 -1.34 0.00 0.00 175.55 174.57 1oia s ILE 14 N 0.71 2.57 0.00 3.14 1.01 0.36 -1.24 121.20 127.74 1oia s ILE 14 Ca 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1oia s ILE 14 Cb -0.13 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.28 1oia s ILE 14 CO 0.02 0.53 0.00 -0.46 0.00 0.00 0.00 174.94 175.03 1oia n ASN 15 N 3.76 1.08 -2.64 3.58 0.23 -0.51 -1.09 115.26 119.68 1oia n ASN 15 Ca -0.19 -0.82 -0.21 0.00 -0.53 0.00 0.00 54.58 52.84 1oia n ASN 15 Cb 0.52 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.24 1oia n ASN 15 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1oia n ASN 16 N -1.56 -5.86 -4.85 0.53 5.15 -1.16 -2.31 115.26 105.19 1oia n ASN 16 Ca 0.00 -0.17 -0.32 0.00 -0.60 0.00 0.00 54.58 53.49 1oia n ASN 16 Cb 0.00 -4.77 -0.05 0.00 -0.53 0.00 0.00 39.78 34.43 1oia n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1oia s LEU 17 N -6.14 3.92 -0.29 1.20 1.43 -0.79 -4.70 118.68 113.31 1oia s LEU 17 Ca 0.17 1.40 -0.28 0.00 -1.03 0.00 0.00 54.13 54.38 1oia s LEU 17 Cb -0.07 -4.25 -0.03 0.00 0.03 0.00 0.00 46.19 41.87 1oia s LEU 17 CO 0.21 -0.34 1.94 0.21 0.23 0.00 0.00 176.35 178.60 1oia s ASN 18 N -2.54 5.74 0.38 2.29 3.84 -1.26 -4.53 114.94 118.86 1oia s ASN 18 Ca 0.56 1.51 0.28 0.00 0.21 0.00 0.00 52.86 55.41 1oia s ASN 18 Cb -0.10 -2.52 1.04 0.00 -0.55 0.00 0.00 41.25 39.12 1oia s ASN 18 CO 0.21 -1.79 1.81 -0.33 -2.79 0.00 0.00 177.10 174.21 1oia h GLU 19 N 13.62 0.00 -0.00 0.43 5.08 -1.94 -3.07 114.58 128.69 1oia h GLU 19 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1oia h GLU 19 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1oia h GLU 19 CO 1.01 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.65 1oia n LYS 20 N -2.64 1.01 -3.89 2.33 5.02 -1.26 -4.87 118.16 113.87 1oia n LYS 20 Ca 0.02 -0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.93 1oia n LYS 20 Cb 0.31 -1.44 -0.06 0.00 -0.02 0.00 0.00 35.03 33.81 1oia n LYS 20 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1oia s ILE 21 N -2.00 5.46 0.27 -0.18 -1.09 -1.16 -5.06 121.20 117.44 1oia s ILE 21 Ca 0.43 0.19 -0.29 0.00 -2.23 0.00 0.00 60.65 58.74 1oia s ILE 21 Cb 0.20 -3.38 -0.09 0.00 -1.58 0.00 0.00 42.46 37.60 1oia s ILE 21 CO 0.33 0.61 1.19 -0.54 -1.23 0.00 0.00 174.94 175.29 1oia s LYS 22 N -0.92 4.52 0.45 2.79 1.02 -1.26 -4.85 119.74 121.49 1oia s LYS 22 Ca 0.14 1.95 0.12 0.00 0.02 0.00 0.00 55.97 58.21 1oia s LYS 22 Cb -0.12 -3.16 1.03 0.00 -0.52 0.00 0.00 37.83 35.06 1oia s LYS 22 CO 0.03 0.02 2.05 0.87 -0.92 0.00 0.00 175.35 177.40 1oia h LYS 23 N 4.05 0.35 -0.26 1.68 1.79 -1.97 -0.86 116.57 121.34 1oia h LYS 23 Ca -0.47 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 57.92 1oia h LYS 23 Cb 1.22 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 1oia h LYS 23 CO 0.68 0.23 -0.09 -0.44 -1.08 0.00 0.00 179.45 178.76 1oia h ASP 24 N 0.37 0.54 -0.88 0.86 3.32 -1.98 -2.43 116.42 116.21 1oia h ASP 24 Ca 0.17 -0.38 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 1oia h ASP 24 Cb 0.22 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1oia h ASP 24 CO -0.04 0.80 0.48 -0.08 -1.72 0.00 0.00 179.24 178.68 1oia h GLU 25 N 0.27 1.23 -0.38 3.56 4.81 -1.62 -2.51 114.58 119.94 1oia h GLU 25 Ca 0.06 -0.14 -0.09 0.00 -0.13 0.00 0.00 59.36 59.06 1oia h GLU 25 Cb 0.58 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1oia h GLU 25 CO 0.03 0.90 -0.12 1.25 -0.73 0.00 0.00 179.01 180.34 1oia h LEU 26 N 1.23 0.76 -0.35 1.64 5.85 -1.14 -0.82 115.31 122.48 1oia h LEU 26 Ca 0.31 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.69 1oia h LEU 26 Cb 0.03 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1oia h LEU 26 CO -0.05 0.96 0.14 0.50 -0.34 0.00 0.00 178.44 179.66 1oia h LYS 27 N 0.55 0.30 -0.52 1.25 3.64 -1.35 -0.63 116.57 119.80 1oia h LYS 27 Ca 0.09 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 1oia h LYS 27 Cb 0.64 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1oia h LYS 27 CO 0.04 0.20 -0.07 0.87 -2.27 0.00 0.00 179.45 178.22 1oia h LYS 28 N 0.31 0.93 -0.22 1.90 1.79 -1.22 -2.35 116.57 117.71 1oia h LYS 28 Ca 0.15 -0.31 -0.19 0.00 -2.18 0.00 0.00 60.65 58.13 1oia h LYS 28 Cb 0.10 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1oia h LYS 28 CO -0.13 0.96 -0.60 0.77 -1.08 0.00 0.00 179.45 179.36 1oia h SER 29 N 0.84 0.84 -0.83 0.86 0.02 -1.01 -1.51 113.55 112.76 1oia h SER 29 Ca 0.14 -0.47 0.08 0.00 -0.84 0.00 0.00 61.79 60.70 1oia h SER 29 Cb 0.59 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 62.82 1oia h SER 29 CO 0.04 1.25 0.49 -0.07 -1.14 0.00 0.00 176.83 177.39 1oia h LEU 30 N 0.55 0.72 -0.47 5.07 3.38 -1.04 -2.50 115.31 121.02 1oia h LEU 30 Ca -0.00 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1oia h LEU 30 Cb 1.20 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1oia h LEU 30 CO 0.12 0.43 0.20 0.22 0.09 0.00 0.00 178.44 179.51 1oia h TYR 31 N 0.84 0.70 -0.98 1.13 3.20 -0.85 -1.46 116.97 119.55 1oia h TYR 31 Ca 0.39 -0.05 0.19 0.00 3.14 0.00 0.00 58.73 62.41 1oia h TYR 31 Cb 0.30 -0.21 -0.09 0.00 1.54 0.00 0.00 36.73 38.27 1oia h TYR 31 CO -0.05 0.58 0.61 0.00 -1.64 0.00 0.00 178.16 177.66 1oia h ALA 32 N 1.05 1.86 0.00 1.82 0.00 -0.84 -1.04 119.26 122.10 1oia h ALA 32 Ca 0.16 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1oia h ALA 32 Cb 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1oia h ALA 32 CO -0.02 -0.20 -1.91 0.44 0.00 0.00 0.00 179.25 177.56 1oia n ILE 33 N -4.67 0.54 0.18 0.00 -5.35 -1.05 -4.50 119.36 104.51 1oia n ILE 33 Ca 0.22 -0.61 0.11 0.00 -0.27 0.00 0.00 62.75 62.20 1oia n ILE 33 Cb 0.61 -0.23 -0.13 0.00 -1.74 0.00 0.00 39.64 38.15 1oia n ILE 33 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1oia n PHE 34 N -2.50 0.11 0.29 4.28 3.01 -0.58 -4.33 117.46 117.75 1oia n PHE 34 Ca -0.11 0.03 0.15 0.00 1.01 0.00 0.00 57.45 58.53 1oia n PHE 34 Cb 0.74 -0.47 0.88 0.00 -0.01 0.00 0.00 39.48 40.62 1oia n PHE 34 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1oia h SER 35 N 0.00 0.00 0.03 4.37 4.64 -1.40 -2.44 113.55 118.75 1oia h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1oia h SER 35 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1oia h SER 35 CO 0.00 0.05 0.00 0.06 -0.87 0.00 0.00 176.83 176.07 1oia h GLN 36 N 0.00 0.00 -0.03 4.77 3.07 -1.83 -2.67 115.11 118.42 1oia h GLN 36 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1oia h GLN 36 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.71 1oia h GLN 36 CO 0.01 0.00 -0.05 1.19 0.09 0.00 0.00 178.83 180.07 1oia n PHE 37 N -2.30 0.00 0.00 0.06 3.01 -0.92 -5.06 117.46 112.25 1oia n PHE 37 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1oia n PHE 37 Cb 0.04 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 1oia n PHE 37 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1oia n GLY 38 N 1.35 0.58 3.69 1.37 0.00 -1.01 -4.44 105.19 106.73 1oia n GLY 38 Ca 0.14 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 1oia n GLY 38 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1oia s GLN 39 N -0.77 4.30 -0.22 1.61 0.74 -1.26 -4.68 119.66 119.38 1oia s GLN 39 Ca 0.00 1.85 -0.12 0.00 0.05 0.00 0.00 55.36 57.14 1oia s GLN 39 Cb 0.00 -3.58 -0.05 0.00 1.10 0.00 0.00 33.01 30.48 1oia s GLN 39 CO 0.00 -0.54 0.22 0.42 -0.55 0.00 0.00 175.29 174.84 1oia s ILE 40 N 2.40 5.33 0.02 -2.34 1.01 -1.26 -1.44 121.20 124.92 1oia s ILE 40 Ca 0.61 0.33 -0.19 0.00 0.00 0.00 0.00 60.65 61.40 1oia s ILE 40 Cb -0.29 -3.56 -0.21 0.00 0.01 0.00 0.00 42.46 38.41 1oia s ILE 40 CO 0.24 0.34 1.15 -0.07 0.00 0.00 0.00 174.94 176.61 1oia h LEU 41 N 7.35 0.57 -7.07 2.97 3.38 -1.16 -3.47 115.31 117.88 1oia h LEU 41 Ca -0.38 -0.71 0.05 0.00 0.09 0.00 0.00 57.88 56.93 1oia h LEU 41 Cb 1.16 -0.17 -0.13 0.00 0.09 0.00 0.00 40.66 41.61 1oia h LEU 41 CO 0.69 1.20 0.36 -0.62 0.09 0.00 0.00 178.44 180.16 1oia s ASP 42 N -6.72 -0.44 -0.16 -0.43 -1.08 -1.17 -5.04 116.67 101.62 1oia s ASP 42 Ca -0.13 -0.04 0.00 0.00 -0.52 0.00 0.00 52.55 51.86 1oia s ASP 42 Cb 0.04 0.50 0.03 0.00 -1.46 0.00 0.00 42.92 42.03 1oia s ASP 42 CO 0.82 -0.82 -0.10 -0.63 0.52 0.00 0.00 175.17 174.97 1oia s ILE 43 N -3.44 1.42 -0.29 4.11 1.01 -1.26 -0.75 121.20 122.00 1oia s ILE 43 Ca 0.04 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 59.86 1oia s ILE 43 Cb -0.01 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 1oia s ILE 43 CO -0.10 0.29 0.28 -0.76 0.00 0.00 0.00 174.94 174.65 1oia s LEU 44 N 1.52 4.14 -0.05 2.97 1.43 0.05 -4.95 118.68 123.78 1oia s LEU 44 Ca 0.02 0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 1oia s LEU 44 Cb -0.14 -2.25 -0.00 0.00 0.03 0.00 0.00 46.19 43.83 1oia s LEU 44 CO -0.09 -0.15 -0.17 0.68 0.23 0.00 0.00 176.35 176.85 1oia s VAL 45 N 1.89 1.43 -0.00 -1.59 -7.23 -1.26 -1.70 120.40 111.93 1oia s VAL 45 Ca 0.10 -0.70 0.04 0.00 -1.81 0.00 0.00 61.98 59.61 1oia s VAL 45 Cb -0.16 -1.24 -0.03 0.00 0.56 0.00 0.00 36.38 35.51 1oia s VAL 45 CO 0.11 0.41 -0.09 -0.55 -0.31 0.00 0.00 175.10 174.67 1oia s SER 46 N 0.17 4.46 0.00 4.85 0.15 -1.26 -4.98 113.70 117.09 1oia s SER 46 Ca -0.07 -0.18 0.28 0.00 0.70 0.00 0.00 55.95 56.69 1oia s SER 46 Cb -0.13 -1.00 1.38 0.00 -1.71 0.00 0.00 66.02 64.56 1oia s SER 46 CO 0.03 0.29 1.97 0.54 1.20 0.00 0.00 173.24 177.27 1oia n ARG 47 N 1.68 0.30 -1.17 5.44 1.74 -1.26 -4.72 116.66 118.67 1oia n ARG 47 Ca -0.16 0.02 -0.35 0.00 -0.77 0.00 0.00 57.85 56.58 1oia n ARG 47 Cb 0.52 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.55 1oia n ARG 47 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1oia n SER 48 N -1.34 -1.31 -0.04 0.55 2.88 -1.26 -4.93 113.62 108.16 1oia n SER 48 Ca 0.12 0.54 -0.16 0.00 -1.33 0.00 0.00 58.87 58.04 1oia n SER 48 Cb 0.25 -1.22 -0.07 0.00 -0.75 0.00 0.00 64.21 62.42 1oia n SER 48 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1oia h LEU 49 N -0.62 0.81 -0.19 2.46 5.85 -2.01 -2.85 115.31 118.76 1oia h LEU 49 Ca -0.45 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 57.67 1oia h LEU 49 Cb 1.33 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1oia h LEU 49 CO 0.41 1.27 0.00 0.29 -0.34 0.00 0.00 178.44 180.07 1oia n LYS 50 N -4.10 1.09 -0.67 1.25 5.02 -1.26 -3.25 118.16 116.24 1oia n LYS 50 Ca -0.07 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 1oia n LYS 50 Cb 0.64 -1.06 0.20 0.00 -0.02 0.00 0.00 35.03 34.80 1oia n LYS 50 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1oia n MET 51 N -0.37 1.89 0.00 1.97 1.56 -1.08 -4.96 117.12 116.14 1oia n MET 51 Ca 0.01 -3.12 0.00 0.00 -0.27 0.00 0.00 57.70 54.32 1oia n MET 51 Cb 0.05 -1.76 0.00 0.00 2.15 0.00 0.00 33.22 33.65 1oia n MET 51 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1oia n ARG 52 N -1.07 0.00 -2.46 2.12 1.74 -1.20 -3.13 116.66 112.66 1oia n ARG 52 Ca 0.28 0.58 -0.35 0.00 -0.77 0.00 0.00 57.85 57.59 1oia n ARG 52 Cb 0.93 -1.32 0.01 0.00 -1.02 0.00 0.00 32.46 31.05 1oia n ARG 52 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1oia n GLY 53 N -0.92 5.83 3.09 -0.13 0.00 -1.26 -4.79 105.19 107.01 1oia n GLY 53 Ca 0.00 -2.64 -0.12 0.00 0.00 0.00 0.00 46.02 43.26 1oia n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1oia s GLN 54 N -3.91 0.61 0.12 1.61 -0.21 -1.18 -1.88 119.66 114.81 1oia s GLN 54 Ca 0.47 -0.91 -0.23 0.00 0.02 0.00 0.00 55.36 54.72 1oia s GLN 54 Cb 0.33 -0.28 0.06 0.00 1.00 0.00 0.00 33.01 34.12 1oia s GLN 54 CO -0.23 0.04 0.57 0.00 -2.12 0.00 0.00 175.29 173.55 1oia s ALA 55 N -1.94 -1.49 -0.07 6.09 0.00 -0.25 -4.63 121.76 119.49 1oia s ALA 55 Ca -0.04 0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.46 1oia s ALA 55 Cb -0.06 0.72 -0.00 0.00 0.00 0.00 0.00 23.12 23.78 1oia s ALA 55 CO -0.01 -0.69 -0.22 -0.06 0.00 0.00 0.00 175.76 174.79 1oia s PHE 56 N -3.38 2.22 -0.15 0.00 0.40 -0.69 -0.49 117.98 115.90 1oia s PHE 56 Ca -0.01 -0.74 -0.00 0.00 -0.60 0.00 0.00 56.93 55.58 1oia s PHE 56 Cb -0.00 -1.48 -0.01 0.00 0.51 0.00 0.00 43.02 42.04 1oia s PHE 56 CO -0.09 -0.26 -0.13 0.08 0.70 0.00 0.00 175.22 175.51 1oia s VAL 57 N 0.09 2.91 -0.27 -0.44 1.01 -0.21 -0.77 120.40 122.71 1oia s VAL 57 Ca -0.09 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 1oia s VAL 57 Cb -0.15 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.03 1oia s VAL 57 CO 0.05 0.51 -0.01 -0.63 0.00 0.00 0.00 175.10 175.02 1oia s ILE 58 N 0.62 3.15 0.17 2.22 1.01 0.07 -0.66 121.20 127.77 1oia s ILE 58 Ca -0.08 -1.05 -0.05 0.00 0.00 0.00 0.00 60.65 59.47 1oia s ILE 58 Cb -0.16 -2.66 -0.06 0.00 0.01 0.00 0.00 42.46 39.60 1oia s ILE 58 CO 0.03 0.09 0.42 -0.36 0.00 0.00 0.00 174.94 175.11 1oia s PHE 59 N 1.34 3.47 0.16 3.97 0.40 0.30 -0.62 117.98 127.01 1oia s PHE 59 Ca -0.01 0.60 -0.15 0.00 -0.60 0.00 0.00 56.93 56.77 1oia s PHE 59 Cb -0.18 -2.05 0.09 0.00 0.51 0.00 0.00 43.02 41.40 1oia s PHE 59 CO -0.02 0.39 1.74 -0.22 0.70 0.00 0.00 175.22 177.81 1oia h LYS 60 N 2.66 0.25 -5.91 0.44 3.64 -1.53 -3.44 116.57 112.68 1oia h LYS 60 Ca -0.46 -0.02 -0.67 0.00 -1.27 0.00 0.00 60.65 58.23 1oia h LYS 60 Cb 1.17 -0.06 -0.19 0.00 -0.41 0.00 0.00 32.23 32.74 1oia h LYS 60 CO 0.71 0.17 -0.67 -1.21 -2.27 0.00 0.00 179.45 176.18 1oia s GLU 61 N -6.16 3.01 0.54 1.90 0.41 -1.26 -5.01 118.70 112.13 1oia s GLU 61 Ca -0.13 -0.51 0.23 0.00 -0.41 0.00 0.00 54.97 54.14 1oia s GLU 61 Cb 0.13 -2.71 1.39 0.00 -1.78 0.00 0.00 34.13 31.16 1oia s GLU 61 CO 0.71 0.57 2.06 0.28 -0.49 0.00 0.00 175.26 178.39 1oia h VAL 62 N 4.44 0.78 0.00 2.63 2.07 -1.85 -2.20 116.25 122.12 1oia h VAL 62 Ca -0.45 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 66.94 1oia h VAL 62 Cb 1.18 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1oia h VAL 62 CO 0.55 0.00 -0.64 0.77 0.02 0.00 0.00 177.57 178.27 1oia h SER 63 N 0.00 0.00 -0.39 0.57 4.64 -1.95 -1.99 113.55 114.43 1oia h SER 63 Ca 0.15 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.42 1oia h SER 63 Cb 0.63 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 1oia h SER 63 CO -0.00 0.64 0.05 0.28 -0.87 0.00 0.00 176.83 176.93 1oia h SER 64 N 0.00 0.63 -0.63 4.97 0.02 -1.61 -2.36 113.55 114.57 1oia h SER 64 Ca -0.01 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1oia h SER 64 Cb 1.19 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.53 1oia h SER 64 CO 0.08 0.74 0.36 0.00 -1.14 0.00 0.00 176.83 176.87 1oia h ALA 65 N 0.91 0.81 -0.19 3.77 0.00 -1.40 -0.87 119.26 122.28 1oia h ALA 65 Ca 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1oia h ALA 65 Cb 0.39 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1oia h ALA 65 CO 0.01 0.31 0.06 1.15 0.00 0.00 0.00 179.25 180.78 1oia h THR 66 N 0.86 1.19 -0.40 0.00 2.02 -1.35 0.09 112.91 115.32 1oia h THR 66 Ca 0.22 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1oia h THR 66 Cb 0.02 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 1oia h THR 66 CO -0.04 0.18 0.17 0.78 0.37 0.00 0.00 175.52 176.98 1oia h ASN 67 N 0.14 0.50 -0.27 4.18 -0.26 -1.33 -1.41 115.58 117.12 1oia h ASN 67 Ca 0.06 -0.05 -0.19 0.00 -0.56 0.00 0.00 56.30 55.57 1oia h ASN 67 Cb 0.22 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.36 1oia h ASN 67 CO -0.00 0.45 -0.57 0.00 -1.06 0.00 0.00 177.43 176.25 1oia h ALA 68 N 1.63 0.44 -0.56 -0.83 0.00 -0.83 -0.85 119.26 118.26 1oia h ALA 68 Ca 0.14 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1oia h ALA 68 Cb 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1oia h ALA 68 CO -0.02 0.67 -0.09 1.25 0.00 0.00 0.00 179.25 181.06 1oia h LEU 69 N 0.65 1.05 -0.23 0.00 6.46 -0.82 -1.87 115.31 120.56 1oia h LEU 69 Ca 0.01 -0.34 -0.08 0.00 -0.12 0.00 0.00 57.88 57.34 1oia h LEU 69 Cb 1.18 -0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 40.82 1oia h LEU 69 CO 0.13 1.15 -0.17 0.03 -0.62 0.00 0.00 178.44 178.96 1oia h ARG 70 N 0.94 0.51 -0.01 1.25 3.08 -1.16 -2.99 114.38 116.01 1oia h ARG 70 Ca 0.15 -0.25 -0.22 0.00 0.07 0.00 0.00 59.98 59.73 1oia h ARG 70 Cb 0.66 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1oia h ARG 70 CO 0.05 0.82 -0.92 0.77 -1.07 0.00 0.00 179.97 179.62 1oia h SER 71 N 0.21 0.50 -0.11 7.04 0.02 -1.15 -3.36 113.55 116.71 1oia h SER 71 Ca 0.04 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1oia h SER 71 Cb 0.69 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1oia h SER 71 CO 0.04 1.19 0.00 0.23 -1.14 0.00 0.00 176.83 177.16 1oia n MET 72 N -3.74 1.79 -1.68 3.45 2.81 -0.71 -4.90 117.12 114.14 1oia n MET 72 Ca -0.06 -1.74 -0.51 0.00 -1.81 0.00 0.00 57.70 53.58 1oia n MET 72 Cb 0.82 -1.37 -0.05 0.00 -0.71 0.00 0.00 33.22 31.90 1oia n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1oia n GLN 73 N 1.08 1.86 -0.18 0.03 -0.06 -1.13 -1.58 117.38 117.40 1oia n GLN 73 Ca 0.12 0.68 0.00 0.00 -2.00 0.00 0.00 57.00 55.80 1oia n GLN 73 Cb 0.48 -2.46 0.00 0.00 -4.06 0.00 0.00 30.24 24.20 1oia n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1oia n GLY 74 N 4.15 1.42 3.69 1.69 0.00 -0.46 -4.97 105.19 110.71 1oia n GLY 74 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1oia n GLY 74 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1oia n PHE 75 N -2.00 2.62 -2.28 1.61 7.35 -0.61 -4.04 117.46 120.11 1oia n PHE 75 Ca 0.00 -0.11 -0.41 0.00 -0.76 0.00 0.00 57.45 56.17 1oia n PHE 75 Cb 0.00 -2.72 -0.03 0.00 0.35 0.00 0.00 39.48 37.09 1oia n PHE 75 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1oia s PRO 76 N 2.52 3.11 -0.22 -7.13 0.02 -1.26 -1.42 135.00 130.62 1oia s PRO 76 Ca 0.81 0.51 -0.04 0.00 0.02 0.00 0.00 61.00 62.30 1oia s PRO 76 Cb -0.50 -4.21 -0.01 0.00 0.02 0.00 0.00 34.50 29.80 1oia s PRO 76 CO 0.37 -2.17 -0.04 0.12 -0.33 0.00 0.00 177.00 174.94 1oia s PHE 77 N 6.93 2.96 -1.51 6.54 5.36 -0.39 -4.08 117.98 133.79 1oia s PHE 77 Ca 0.57 -0.90 -0.08 0.00 -0.96 0.00 0.00 56.93 55.56 1oia s PHE 77 Cb -0.12 -2.10 0.06 0.00 -0.34 0.00 0.00 43.02 40.52 1oia s PHE 77 CO 0.23 -0.52 0.62 0.66 -1.46 0.00 0.00 175.22 174.76 1oia n TYR 78 N 4.73 -1.78 -2.32 10.12 4.02 -1.26 -1.98 117.16 128.70 1oia n TYR 78 Ca -0.18 0.79 -0.19 0.00 -0.01 0.00 0.00 57.90 58.31 1oia n TYR 78 Cb 0.51 -3.56 -0.02 0.00 -0.02 0.00 0.00 39.34 36.25 1oia n TYR 78 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1oia n ASP 79 N -2.87 -5.36 -3.72 7.72 2.03 -1.26 -4.90 116.55 108.19 1oia n ASP 79 Ca -0.14 0.08 -0.23 0.00 0.52 0.00 0.00 54.79 55.02 1oia n ASP 79 Cb 0.60 -4.51 -0.18 0.00 -0.72 0.00 0.00 41.12 36.32 1oia n ASP 79 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1oia s LYS 80 N -4.89 0.33 0.07 -0.67 2.20 -0.84 -5.01 119.74 110.93 1oia s LYS 80 Ca 0.00 0.12 -0.31 0.00 -0.36 0.00 0.00 55.97 55.42 1oia s LYS 80 Cb 0.00 -1.04 -0.08 0.00 -1.51 0.00 0.00 37.83 35.20 1oia s LYS 80 CO 0.00 -0.39 1.61 -1.25 -0.36 0.00 0.00 175.35 174.97 1oia s PRO 81 N 2.04 4.21 0.34 4.03 0.04 -1.26 -1.26 135.00 143.15 1oia s PRO 81 Ca 0.04 2.29 -0.17 0.00 0.04 0.00 0.00 61.00 63.20 1oia s PRO 81 Cb -0.13 -3.55 -0.09 0.00 0.04 0.00 0.00 34.50 30.77 1oia s PRO 81 CO -0.05 -0.70 0.80 0.00 0.04 0.00 0.00 177.00 177.09 1oia s MET 82 N 2.45 4.11 -0.22 4.56 0.23 -0.51 -4.85 119.30 125.07 1oia s MET 82 Ca 0.72 0.84 -0.04 0.00 -1.03 0.00 0.00 55.69 56.18 1oia s MET 82 Cb -0.39 -2.42 -0.01 0.00 -1.53 0.00 0.00 34.83 30.48 1oia s MET 82 CO 0.32 0.13 -0.04 0.50 -2.03 0.00 0.00 175.02 173.90 1oia s ARG 83 N -2.90 3.38 -0.06 3.16 3.52 -0.98 -1.35 118.95 123.72 1oia s ARG 83 Ca 0.55 -0.62 0.05 0.00 -0.13 0.00 0.00 55.73 55.58 1oia s ARG 83 Cb -0.11 -3.01 -0.01 0.00 -1.56 0.00 0.00 34.95 30.27 1oia s ARG 83 CO 0.17 -0.19 -0.22 0.42 -0.81 0.00 0.00 175.30 174.67 1oia s ILE 84 N 1.45 1.86 0.18 4.11 1.01 -1.26 -1.42 121.20 127.13 1oia s ILE 84 Ca 0.05 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1oia s ILE 84 Cb -0.14 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 1oia s ILE 84 CO -0.03 0.52 -0.01 -1.10 0.00 0.00 0.00 174.94 174.32 1oia s GLN 85 N 0.03 1.15 0.34 2.79 -0.21 -0.38 -5.01 119.66 118.39 1oia s GLN 85 Ca -0.07 -1.56 -0.29 0.00 0.02 0.00 0.00 55.36 53.46 1oia s GLN 85 Cb -0.14 -0.38 -0.11 0.00 1.00 0.00 0.00 33.01 33.38 1oia s GLN 85 CO 0.04 -0.10 1.50 0.71 -2.12 0.00 0.00 175.29 175.32 1oia s TYR 86 N -3.57 2.70 0.70 0.91 1.51 -1.26 0.10 117.35 118.44 1oia s TYR 86 Ca 0.24 1.06 -0.16 0.00 -1.01 0.00 0.00 57.07 57.20 1oia s TYR 86 Cb 0.06 -4.00 0.02 0.00 -0.11 0.00 0.00 41.96 37.93 1oia s TYR 86 CO 0.05 -3.06 1.23 0.00 -1.11 0.00 0.00 175.55 172.65 1oia s ALA 87 N -0.71 2.22 -0.24 3.71 0.00 -0.16 -4.60 121.76 121.97 1oia s ALA 87 Ca 0.56 0.97 -0.09 0.00 0.00 0.00 0.00 51.96 53.41 1oia s ALA 87 Cb -0.46 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.13 1oia s ALA 87 CO 0.56 -1.74 0.11 0.15 0.00 0.00 0.00 175.76 174.84 1oia s LYS 88 N -3.73 3.83 -0.88 0.00 1.02 -1.26 -4.90 119.74 113.82 1oia s LYS 88 Ca 0.77 -0.39 -0.22 0.00 0.02 0.00 0.00 55.97 56.14 1oia s LYS 88 Cb -0.31 -3.40 -0.22 0.00 -0.52 0.00 0.00 37.83 33.38 1oia s LYS 88 CO 0.43 -0.07 2.25 2.41 -0.92 0.00 0.00 175.35 179.44 1oia n THR 89 N 4.62 0.00 -4.75 2.17 -1.04 -1.26 -4.97 114.28 109.05 1oia n THR 89 Ca -0.16 -0.11 -0.33 0.00 -2.04 0.00 0.00 64.05 61.42 1oia n THR 89 Cb 0.52 -0.33 -0.08 0.00 -1.82 0.00 0.00 70.33 68.62 1oia n THR 89 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1oia s ASP 90 N 5.98 4.07 0.00 8.00 1.01 -1.26 -5.08 116.67 129.39 1oia s ASP 90 Ca 1.18 -1.65 0.24 0.00 0.71 0.00 0.00 52.55 53.03 1oia s ASP 90 Cb -1.02 0.50 1.12 0.00 1.01 0.00 0.00 42.92 44.53 1oia s ASP 90 CO 0.45 -0.84 1.78 -1.54 0.21 0.00 0.00 175.17 175.22 1oia n SER 91 N -1.26 0.00 -0.35 0.27 3.41 -1.26 -5.24 113.62 109.19 1oia n SER 91 Ca -0.18 0.20 0.15 0.00 -0.26 0.00 0.00 58.87 58.77 1oia n SER 91 Cb 0.67 -0.38 0.64 0.00 -0.26 0.00 0.00 64.21 64.88 1oia n SER 91 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35