#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oia s ARG 7 N 0.00 4.77 0.94 -2.82 3.52 -1.26 -5.01 118.95 119.08 1oia s ARG 7 Ca 0.00 1.46 -0.11 0.00 -0.13 0.00 0.00 55.73 56.96 1oia s ARG 7 Cb 0.00 -3.33 0.16 0.00 -1.56 0.00 0.00 34.95 30.21 1oia s ARG 7 CO 0.00 0.35 1.12 -2.14 -0.81 0.00 0.00 175.30 173.83 1oia s PRO 8 N -0.54 0.85 -0.27 5.12 0.02 -1.26 -4.90 135.00 134.02 1oia s PRO 8 Ca 0.44 1.39 -0.27 0.00 0.02 0.00 0.00 61.00 62.58 1oia s PRO 8 Cb -0.24 -1.72 0.18 0.00 0.02 0.00 0.00 34.50 32.73 1oia s PRO 8 CO 0.31 -2.69 1.31 1.21 -0.33 0.00 0.00 177.00 176.80 1oia s ASN 9 N -2.74 -0.13 0.00 2.53 3.84 -1.26 -5.05 114.94 112.12 1oia s ASN 9 Ca 0.66 0.21 0.32 0.00 0.21 0.00 0.00 52.86 54.26 1oia s ASN 9 Cb -0.22 0.19 1.82 0.00 -0.55 0.00 0.00 41.25 42.49 1oia s ASN 9 CO 0.59 -0.08 2.18 0.00 -2.79 0.00 0.00 177.10 177.00 1oia n HIS 10 N 1.16 0.00 -3.98 0.43 1.44 -1.26 -4.68 115.22 108.33 1oia n HIS 10 Ca -0.07 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.30 1oia n HIS 10 Cb 0.58 -0.01 -0.15 0.00 0.12 0.00 0.00 29.99 30.53 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 -2.03 2.93 0.08 0.61 2.01 -1.26 -1.17 115.64 116.81 1oia s THR 11 Ca 0.46 -0.68 -0.03 0.00 0.31 0.00 0.00 61.69 61.75 1oia s THR 11 Cb 0.22 -2.32 -0.05 0.00 0.01 0.00 0.00 72.50 70.36 1oia s THR 11 CO 0.37 0.44 0.29 0.27 -0.69 0.00 0.00 174.62 175.30 1oia s ILE 12 N 1.41 5.28 -0.18 1.82 -4.36 -0.44 -0.99 121.20 123.75 1oia s ILE 12 Ca 0.05 -0.10 -0.00 0.00 -0.26 0.00 0.00 60.65 60.34 1oia s ILE 12 Cb -0.14 -3.61 0.00 0.00 1.25 0.00 0.00 42.46 39.96 1oia s ILE 12 CO -0.06 0.15 -0.15 -0.47 0.24 0.00 0.00 174.94 174.65 1oia s TYR 13 N -1.53 2.81 -0.14 1.37 5.04 0.01 -0.82 117.35 124.10 1oia s TYR 13 Ca 0.36 -1.21 -0.01 0.00 -2.44 0.00 0.00 57.07 53.76 1oia s TYR 13 Cb -0.13 -1.94 -0.02 0.00 0.35 0.00 0.00 41.96 40.23 1oia s TYR 13 CO 0.24 -0.60 -0.10 0.42 -1.34 0.00 0.00 175.55 174.17 1oia s ILE 14 N 1.10 3.28 0.47 3.14 1.01 -0.55 -1.85 121.20 127.80 1oia s ILE 14 Ca 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.10 1oia s ILE 14 Cb -0.14 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.91 1oia s ILE 14 CO -0.05 0.51 0.07 0.54 0.00 0.00 0.00 174.94 176.02 1oia s ASN 15 N 0.42 3.49 -0.37 3.58 2.20 -1.01 -1.77 114.94 121.47 1oia s ASN 15 Ca -0.08 -1.70 -0.01 0.00 -0.94 0.00 0.00 52.86 50.13 1oia s ASN 15 Cb -0.15 0.60 0.00 0.00 -2.00 0.00 0.00 41.25 39.69 1oia s ASN 15 CO 0.04 -0.94 0.07 -3.20 -2.94 0.00 0.00 177.10 170.14 1oia n ASN 16 N -1.36 -2.34 -4.84 3.54 5.15 -1.17 -2.85 115.26 111.40 1oia n ASN 16 Ca -0.13 -0.04 -0.33 0.00 -0.60 0.00 0.00 54.58 53.48 1oia n ASN 16 Cb 0.66 -1.49 -0.06 0.00 -0.53 0.00 0.00 39.78 38.36 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 -1.63 4.07 -0.09 1.20 1.43 -1.14 -4.77 118.68 117.75 1oia s LEU 17 Ca 0.04 1.36 -0.29 0.00 -1.03 0.00 0.00 54.13 54.20 1oia s LEU 17 Cb -0.02 -4.10 -0.07 0.00 0.03 0.00 0.00 46.19 42.03 1oia s LEU 17 CO 0.05 -0.21 2.05 0.21 0.23 0.00 0.00 176.35 178.68 1oia s ASN 18 N -2.20 6.01 0.28 2.29 3.84 -1.26 -4.42 114.94 119.48 1oia s ASN 18 Ca 0.54 2.25 -0.03 0.00 0.21 0.00 0.00 52.86 55.83 1oia s ASN 18 Cb -0.11 -2.52 0.38 0.00 -0.55 0.00 0.00 41.25 38.45 1oia s ASN 18 CO 0.17 -1.46 1.95 -0.33 -2.79 0.00 0.00 177.10 174.64 1oia h GLU 19 N 12.53 1.16 0.00 0.43 4.39 -1.95 -3.18 114.58 127.96 1oia h GLU 19 Ca -0.45 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1oia h GLU 19 Cb 1.23 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 1oia h GLU 19 CO 0.95 0.78 0.00 1.63 -1.16 0.00 0.00 179.01 181.21 1oia n LYS 20 N -4.39 0.24 -3.36 2.33 4.01 -1.26 -4.79 118.16 110.94 1oia n LYS 20 Ca 0.10 0.12 -0.38 0.00 -0.51 0.00 0.00 58.31 57.63 1oia n LYS 20 Cb 0.03 -1.50 -0.06 0.00 -0.51 0.00 0.00 35.03 32.99 1oia n LYS 20 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1oia s ILE 21 N -2.61 5.03 0.20 -0.18 -1.09 -1.20 -5.01 121.20 116.33 1oia s ILE 21 Ca 0.17 0.99 -0.32 0.00 -2.23 0.00 0.00 60.65 59.26 1oia s ILE 21 Cb 0.13 -3.81 -0.11 0.00 -1.58 0.00 0.00 42.46 37.09 1oia s ILE 21 CO 0.29 0.46 1.64 -0.54 -1.23 0.00 0.00 174.94 175.56 1oia s LYS 22 N -0.31 4.16 0.35 2.79 1.02 -1.26 -4.81 119.74 121.69 1oia s LYS 22 Ca 0.26 2.50 0.16 0.00 0.02 0.00 0.00 55.97 58.91 1oia s LYS 22 Cb -0.17 -3.10 1.18 0.00 -0.52 0.00 0.00 37.83 35.22 1oia s LYS 22 CO 0.13 -0.68 1.59 0.87 -0.92 0.00 0.00 175.35 176.35 1oia h LYS 23 N 6.61 0.05 -0.04 1.68 6.56 -1.94 -0.27 116.57 129.22 1oia h LYS 23 Ca -0.43 -0.00 -0.24 0.00 -1.06 0.00 0.00 60.65 58.92 1oia h LYS 23 Cb 1.20 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 32.86 1oia h LYS 23 CO 0.92 0.03 -0.92 0.22 -2.06 0.00 0.00 179.45 177.64 1oia h ASP 24 N 0.05 0.79 -0.48 0.86 3.58 -1.89 -1.45 116.42 117.87 1oia h ASP 24 Ca 0.78 -0.59 0.01 0.00 0.42 0.00 0.00 57.03 57.64 1oia h ASP 24 Cb 1.94 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 42.72 1oia h ASP 24 CO -0.78 1.38 0.31 -0.08 -2.88 0.00 0.00 179.24 177.20 1oia h GLU 25 N 0.38 0.62 -0.84 0.28 4.81 -1.54 -2.92 114.58 115.37 1oia h GLU 25 Ca -0.09 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1oia h GLU 25 Cb 1.56 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.76 1oia h GLU 25 CO 0.18 0.41 0.51 1.25 -0.73 0.00 0.00 179.01 180.63 1oia h LEU 26 N 0.64 1.01 -0.71 1.64 5.85 -0.87 -0.61 115.31 122.26 1oia h LEU 26 Ca 0.18 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 1oia h LEU 26 Cb -0.07 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 1oia h LEU 26 CO -0.04 0.77 0.22 0.50 -0.34 0.00 0.00 178.44 179.55 1oia h LYS 27 N 1.16 1.10 0.02 1.25 3.64 -1.26 -1.08 116.57 121.40 1oia h LYS 27 Ca 0.30 -0.24 -0.27 0.00 -1.27 0.00 0.00 60.65 59.18 1oia h LYS 27 Cb -0.06 -0.16 0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1oia h LYS 27 CO -0.06 0.95 -1.07 0.87 -2.27 0.00 0.00 179.45 177.86 1oia h LYS 28 N 1.04 0.66 -0.18 1.90 1.57 -1.22 -2.49 116.57 117.85 1oia h LYS 28 Ca 0.23 -0.74 -0.07 0.00 -1.87 0.00 0.00 60.65 58.19 1oia h LYS 28 Cb 0.31 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1oia h LYS 28 CO -0.01 1.32 -0.22 0.77 -0.57 0.00 0.00 179.45 180.74 1oia h SER 29 N 0.36 0.31 -0.36 0.86 0.02 -1.07 -1.40 113.55 112.27 1oia h SER 29 Ca -0.14 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.60 1oia h SER 29 Cb 1.73 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 64.17 1oia h SER 29 CO 0.21 0.54 -0.23 -0.07 -1.14 0.00 0.00 176.83 176.14 1oia h LEU 30 N 0.29 0.87 -0.72 5.07 3.38 -1.15 -2.78 115.31 120.26 1oia h LEU 30 Ca 0.05 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.61 1oia h LEU 30 Cb 0.55 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1oia h LEU 30 CO 0.04 1.06 0.08 0.22 0.09 0.00 0.00 178.44 179.94 1oia h TYR 31 N 0.74 1.13 -0.59 1.13 3.20 -1.04 -1.92 116.97 119.62 1oia h TYR 31 Ca 0.10 -0.16 0.09 0.00 3.14 0.00 0.00 58.73 61.90 1oia h TYR 31 Cb 0.76 -0.31 -0.07 0.00 1.54 0.00 0.00 36.73 38.66 1oia h TYR 31 CO 0.04 0.96 0.22 0.00 -1.64 0.00 0.00 178.16 177.74 1oia h ALA 32 N 1.09 0.75 0.00 1.82 0.00 -1.00 -1.93 119.26 120.00 1oia h ALA 32 Ca 0.19 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1oia h ALA 32 Cb 0.45 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1oia h ALA 32 CO 0.02 -0.19 -1.25 -0.84 0.00 0.00 0.00 179.25 176.99 1oia h ILE 33 N 0.40 0.50 0.00 0.00 3.07 -1.36 -3.39 117.51 116.73 1oia h ILE 33 Ca 0.29 -1.93 0.00 0.00 1.55 0.00 0.00 64.86 64.78 1oia h ILE 33 Cb 0.35 2.03 0.00 0.00 -0.27 0.00 0.00 36.82 38.94 1oia h ILE 33 CO -0.29 0.28 -1.54 0.49 -1.05 0.00 0.00 178.15 176.04 1oia n PHE 34 N -2.92 0.09 0.30 0.16 3.01 -0.74 -4.37 117.46 113.00 1oia n PHE 34 Ca -0.07 0.03 0.18 0.00 1.01 0.00 0.00 57.45 58.60 1oia n PHE 34 Cb 0.80 -0.39 0.87 0.00 -0.01 0.00 0.00 39.48 40.75 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 0.74 4.37 4.64 -1.55 -2.33 113.55 119.42 1oia h SER 35 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1oia h SER 35 Cb 0.83 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1oia h SER 35 CO 0.00 0.00 -0.06 0.06 -0.87 0.00 0.00 176.83 175.96 1oia h GLN 36 N 0.00 0.00 0.00 4.77 3.07 -1.84 -2.86 115.11 118.26 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 0.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.80 1oia h GLN 36 CO 0.00 0.06 -0.52 1.19 0.09 0.00 0.00 178.83 179.65 1oia n PHE 37 N -3.23 0.45 -1.25 0.06 3.01 -0.88 -5.05 117.46 110.57 1oia n PHE 37 Ca -0.00 0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.59 1oia n PHE 37 Cb 0.28 -0.59 0.00 0.00 -0.01 0.00 0.00 39.48 39.16 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 1.38 0.30 3.70 1.37 0.00 -1.08 -4.47 105.19 106.39 1oia n GLY 38 Ca 0.04 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.00 4.25 -0.22 1.61 0.74 -1.26 -4.68 119.66 118.10 1oia s GLN 39 Ca 0.00 2.17 -0.09 0.00 0.05 0.00 0.00 55.36 57.49 1oia s GLN 39 Cb 0.00 -3.43 -0.04 0.00 1.10 0.00 0.00 33.01 30.63 1oia s GLN 39 CO 0.00 -0.60 0.11 0.42 -0.55 0.00 0.00 175.29 174.68 1oia s ILE 40 N 1.95 5.05 -0.09 -2.34 1.01 -1.26 -1.80 121.20 123.72 1oia s ILE 40 Ca 0.68 0.07 -0.24 0.00 0.00 0.00 0.00 60.65 61.16 1oia s ILE 40 Cb -0.37 -3.32 -0.20 0.00 0.01 0.00 0.00 42.46 38.57 1oia s ILE 40 CO 0.30 0.39 0.86 -0.07 0.00 0.00 0.00 174.94 176.42 1oia h LEU 41 N 7.24 -0.04 -7.23 2.97 3.38 -1.03 -3.47 115.31 117.13 1oia h LEU 41 Ca -0.38 -0.65 0.03 0.00 0.09 0.00 0.00 57.88 56.97 1oia h LEU 41 Cb 1.17 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.82 1oia h LEU 41 CO 0.67 0.69 0.28 -0.62 0.09 0.00 0.00 178.44 179.55 1oia s ASP 42 N -5.87 -0.45 -0.17 -0.43 2.15 -1.18 -5.04 116.67 105.68 1oia s ASP 42 Ca -0.15 -0.14 0.01 0.00 0.43 0.00 0.00 52.55 52.70 1oia s ASP 42 Cb -0.01 0.58 0.01 0.00 -0.30 0.00 0.00 42.92 43.21 1oia s ASP 42 CO 0.58 -0.98 -0.19 -0.63 -0.17 0.00 0.00 175.17 173.79 1oia s ILE 43 N -3.65 2.24 -0.59 4.11 1.01 -1.26 -1.58 121.20 121.47 1oia s ILE 43 Ca 0.04 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 59.72 1oia s ILE 43 Cb -0.02 -1.94 0.15 0.00 0.01 0.00 0.00 42.46 40.67 1oia s ILE 43 CO -0.08 0.53 0.46 -0.22 0.00 0.00 0.00 174.94 175.63 1oia s LEU 44 N 1.14 5.79 -0.12 2.97 2.96 0.21 -4.96 118.68 126.68 1oia s LEU 44 Ca 0.01 -2.35 -0.01 0.00 -0.22 0.00 0.00 54.13 51.57 1oia s LEU 44 Cb -0.14 -2.01 0.03 0.00 0.50 0.00 0.00 46.19 44.58 1oia s LEU 44 CO -0.08 -0.58 -0.05 0.54 -1.32 0.00 0.00 176.35 174.87 1oia s VAL 45 N 0.70 0.87 -0.13 1.68 0.11 -1.26 -1.38 120.40 120.99 1oia s VAL 45 Ca 0.11 -0.29 -0.10 0.00 -2.93 0.00 0.00 61.98 58.77 1oia s VAL 45 Cb -0.21 -0.98 0.04 0.00 -1.53 0.00 0.00 36.38 33.69 1oia s VAL 45 CO -0.03 0.25 0.33 -0.55 -3.33 0.00 0.00 175.10 171.77 1oia s SER 46 N 1.76 -0.36 0.42 3.54 0.15 -1.26 -4.84 113.70 113.10 1oia s SER 46 Ca 0.04 0.68 0.21 0.00 0.70 0.00 0.00 55.95 57.57 1oia s SER 46 Cb -0.13 0.65 1.16 0.00 -1.71 0.00 0.00 66.02 65.99 1oia s SER 46 CO -0.07 -0.14 1.77 -0.09 1.20 0.00 0.00 173.24 175.91 1oia h ARG 47 N 6.12 0.33 -1.03 5.44 2.43 -1.98 -1.88 114.38 123.80 1oia h ARG 47 Ca -0.30 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1oia h ARG 47 Cb 1.18 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1oia h ARG 47 CO 0.31 0.22 0.00 -1.13 -1.51 0.00 0.00 179.97 177.86 1oia n SER 48 N -4.58 1.91 -0.00 -3.80 3.41 -1.26 -3.17 113.62 106.12 1oia n SER 48 Ca 0.26 -1.72 0.08 0.00 -0.26 0.00 0.00 58.87 57.23 1oia n SER 48 Cb 0.93 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 1oia n SER 48 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1oia n LEU 49 N 0.38 0.52 -3.31 1.04 7.94 -0.71 -4.98 117.00 117.88 1oia n LEU 49 Ca 0.00 -0.34 -0.24 0.00 -1.11 0.00 0.00 56.01 54.32 1oia n LEU 49 Cb 0.35 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.32 1oia n LEU 49 CO 0.00 0.13 0.02 0.29 -1.11 0.00 0.00 177.39 176.72 1oia n LYS 50 N -1.61 -4.64 -2.93 1.96 5.02 -1.19 -5.00 118.16 109.77 1oia n LYS 50 Ca 0.01 0.70 -0.20 0.00 -2.02 0.00 0.00 58.31 56.80 1oia n LYS 50 Cb 0.31 -5.53 0.02 0.00 -0.02 0.00 0.00 35.03 29.82 1oia n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1oia s MET 51 N -5.98 2.81 -0.07 1.97 0.23 -1.26 -5.11 119.30 111.88 1oia s MET 51 Ca 0.41 -0.89 -0.01 0.00 -1.03 0.00 0.00 55.69 54.17 1oia s MET 51 Cb -0.20 -2.63 0.03 0.00 -1.53 0.00 0.00 34.83 30.50 1oia s MET 51 CO 0.50 -0.39 -0.01 1.03 -2.03 0.00 0.00 175.02 174.12 1oia s ARG 52 N -4.52 0.70 -0.79 3.16 1.81 -1.26 -4.89 118.95 113.16 1oia s ARG 52 Ca 0.53 0.06 -0.01 0.00 -1.72 0.00 0.00 55.73 54.59 1oia s ARG 52 Cb -0.10 -1.00 -0.01 0.00 -0.45 0.00 0.00 34.95 33.39 1oia s ARG 52 CO 0.36 -0.28 0.66 0.41 -0.68 0.00 0.00 175.30 175.77 1oia n GLY 53 N 5.01 -0.20 3.16 -3.53 0.00 -1.26 -4.82 105.19 103.55 1oia n GLY 53 Ca -0.10 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.68 0.81 0.14 1.61 -0.21 -1.26 -2.87 119.66 113.19 1oia s GLN 54 Ca 0.08 -1.17 -0.19 0.00 0.02 0.00 0.00 55.36 54.10 1oia s GLN 54 Cb -0.01 -0.41 0.05 0.00 1.00 0.00 0.00 33.01 33.64 1oia s GLN 54 CO 0.50 0.05 0.49 0.00 -2.12 0.00 0.00 175.29 174.20 1oia s ALA 55 N -2.67 -1.21 -0.08 6.09 0.00 -0.73 -4.63 121.76 118.53 1oia s ALA 55 Ca 0.06 0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1oia s ALA 55 Cb -0.01 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.90 1oia s ALA 55 CO -0.01 -0.70 -0.13 -0.06 0.00 0.00 0.00 175.76 174.86 1oia s PHE 56 N -3.78 1.62 -0.21 0.00 0.40 -0.48 -1.48 117.98 114.05 1oia s PHE 56 Ca 0.02 -0.65 -0.04 0.00 -0.60 0.00 0.00 56.93 55.65 1oia s PHE 56 Cb 0.01 -1.19 -0.02 0.00 0.51 0.00 0.00 43.02 42.33 1oia s PHE 56 CO -0.12 -0.34 -0.02 0.08 0.70 0.00 0.00 175.22 175.52 1oia s VAL 57 N 0.80 3.67 -0.38 -0.44 1.01 0.00 -0.61 120.40 124.44 1oia s VAL 57 Ca -0.12 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 1oia s VAL 57 Cb -0.15 -2.67 0.06 0.00 0.00 0.00 0.00 36.38 33.62 1oia s VAL 57 CO 0.02 0.42 0.19 -0.63 0.00 0.00 0.00 175.10 175.10 1oia s ILE 58 N 1.28 3.99 0.36 2.22 1.01 -0.62 -1.32 121.20 128.13 1oia s ILE 58 Ca 0.04 -1.31 -0.10 0.00 0.00 0.00 0.00 60.65 59.28 1oia s ILE 58 Cb -0.14 -3.38 -0.06 0.00 0.01 0.00 0.00 42.46 38.88 1oia s ILE 58 CO -0.00 -0.37 0.71 -0.36 0.00 0.00 0.00 174.94 174.91 1oia s PHE 59 N 1.40 3.46 0.18 3.97 0.40 -0.32 -0.41 117.98 126.67 1oia s PHE 59 Ca 0.01 0.96 -0.13 0.00 -0.60 0.00 0.00 56.93 57.17 1oia s PHE 59 Cb -0.21 -2.36 0.09 0.00 0.51 0.00 0.00 43.02 41.05 1oia s PHE 59 CO 0.02 -0.01 1.85 -0.22 0.70 0.00 0.00 175.22 177.56 1oia h LYS 60 N 1.49 0.79 -6.02 0.44 3.64 -1.64 -3.44 116.57 111.84 1oia h LYS 60 Ca -0.47 -0.05 -0.68 0.00 -1.27 0.00 0.00 60.65 58.18 1oia h LYS 60 Cb 1.19 -0.18 -0.22 0.00 -0.41 0.00 0.00 32.23 32.60 1oia h LYS 60 CO 0.65 0.53 -0.74 -1.21 -2.27 0.00 0.00 179.45 176.41 1oia s GLU 61 N -6.14 2.82 0.30 1.90 0.41 -1.26 -4.99 118.70 111.74 1oia s GLU 61 Ca -0.13 -0.63 0.04 0.00 -0.41 0.00 0.00 54.97 53.84 1oia s GLU 61 Cb 0.13 -2.53 0.67 0.00 -1.78 0.00 0.00 34.13 30.62 1oia s GLU 61 CO 0.76 0.54 1.82 0.28 -0.49 0.00 0.00 175.26 178.17 1oia h VAL 62 N 4.55 0.83 -0.77 2.63 2.07 -1.87 -2.86 116.25 120.84 1oia h VAL 62 Ca -0.42 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1oia h VAL 62 Cb 1.17 -0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1oia h VAL 62 CO 0.53 0.16 0.33 0.77 0.02 0.00 0.00 177.57 179.38 1oia h SER 63 N 0.86 1.03 0.05 0.57 4.64 -1.95 -0.86 113.55 117.89 1oia h SER 63 Ca 0.51 -0.14 0.01 0.00 -0.47 0.00 0.00 61.79 61.71 1oia h SER 63 Cb 0.67 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 1oia h SER 63 CO -0.29 0.90 -0.13 0.28 -0.87 0.00 0.00 176.83 176.72 1oia h SER 64 N 1.11 -0.36 -0.89 4.97 0.02 -1.73 -2.07 113.55 114.60 1oia h SER 64 Ca 0.26 0.05 0.12 0.00 -0.84 0.00 0.00 61.79 61.38 1oia h SER 64 Cb 0.17 0.14 -0.08 0.00 0.14 0.00 0.00 62.40 62.77 1oia h SER 64 CO -0.03 -0.19 0.52 0.00 -1.14 0.00 0.00 176.83 176.00 1oia h ALA 65 N 0.68 1.33 -0.17 3.77 0.00 -1.25 0.13 119.26 123.74 1oia h ALA 65 Ca 0.03 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1oia h ALA 65 Cb 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1oia h ALA 65 CO -0.09 0.08 -0.36 1.15 0.00 0.00 0.00 179.25 180.03 1oia h THR 66 N 0.81 1.34 -0.48 0.00 2.02 -1.08 -1.35 112.91 114.17 1oia h THR 66 Ca 0.45 -1.61 -0.07 0.00 0.77 0.00 0.00 66.41 65.96 1oia h THR 66 Cb 0.50 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 1oia h THR 66 CO -0.29 0.49 0.02 0.78 0.37 0.00 0.00 175.52 176.90 1oia h ASN 67 N 0.20 0.74 -0.42 4.18 -0.26 -1.14 -1.67 115.58 117.22 1oia h ASN 67 Ca 0.00 -0.17 -0.02 0.00 -0.56 0.00 0.00 56.30 55.56 1oia h ASN 67 Cb 0.96 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 38.01 1oia h ASN 67 CO 0.08 0.80 0.19 0.00 -1.06 0.00 0.00 177.43 177.44 1oia h ALA 68 N 1.29 0.54 -0.04 -0.83 0.00 -0.52 -1.96 119.26 117.73 1oia h ALA 68 Ca 0.15 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1oia h ALA 68 Cb 0.41 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1oia h ALA 68 CO 0.02 0.11 0.02 1.25 0.00 0.00 0.00 179.25 180.64 1oia h LEU 69 N 0.53 0.06 -1.12 0.00 5.85 -1.13 -0.43 115.31 119.07 1oia h LEU 69 Ca 0.14 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1oia h LEU 69 Cb 0.14 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1oia h LEU 69 CO -0.02 0.20 0.37 0.03 -0.34 0.00 0.00 178.44 178.68 1oia h ARG 70 N -0.09 0.98 0.08 1.25 3.08 -1.26 -2.61 114.38 115.82 1oia h ARG 70 Ca 0.01 -0.12 -0.30 0.00 0.07 0.00 0.00 59.98 59.65 1oia h ARG 70 Cb 0.16 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1oia h ARG 70 CO -0.00 0.74 -1.58 1.03 -1.07 0.00 0.00 179.97 179.09 1oia h SER 71 N 0.98 0.26 -0.04 7.04 0.87 -1.23 -3.37 113.55 118.07 1oia h SER 71 Ca 0.25 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1oia h SER 71 Cb 0.05 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1oia h SER 71 CO -0.04 1.34 0.00 0.23 -0.53 0.00 0.00 176.83 177.84 1oia n MET 72 N -3.34 1.03 -1.66 2.24 2.81 -0.18 -4.93 117.12 113.08 1oia n MET 72 Ca -0.17 -1.37 -0.50 0.00 -1.81 0.00 0.00 57.70 53.85 1oia n MET 72 Cb 1.04 -1.27 -0.05 0.00 -0.71 0.00 0.00 33.22 32.22 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 0.78 1.80 -0.98 0.03 -0.06 -0.98 -1.71 117.38 116.26 1oia n GLN 73 Ca 0.08 0.65 0.00 0.00 -2.00 0.00 0.00 57.00 55.74 1oia n GLN 73 Cb 0.35 -2.41 0.00 0.00 -4.06 0.00 0.00 30.24 24.13 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 3.64 0.89 3.71 1.69 0.00 0.37 -4.95 105.19 110.54 1oia n GLY 74 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1oia n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1oia s PHE 75 N -3.61 3.01 -0.79 1.61 5.36 -0.69 -4.21 117.98 118.66 1oia s PHE 75 Ca 0.00 0.64 -0.26 0.00 -0.96 0.00 0.00 56.93 56.35 1oia s PHE 75 Cb 0.00 -3.90 0.01 0.00 -0.34 0.00 0.00 43.02 38.79 1oia s PHE 75 CO 0.00 -3.32 1.55 -2.14 -1.46 0.00 0.00 175.22 169.85 1oia s PRO 76 N 1.32 3.05 -0.26 10.12 0.02 -1.26 -0.97 135.00 147.01 1oia s PRO 76 Ca 0.70 -0.24 -0.13 0.00 0.02 0.00 0.00 61.00 61.35 1oia s PRO 76 Cb -0.42 -4.62 -0.04 0.00 0.02 0.00 0.00 34.50 29.44 1oia s PRO 76 CO 0.31 -2.48 0.30 0.12 -0.33 0.00 0.00 177.00 174.92 1oia s PHE 77 N 7.00 3.26 -1.47 6.54 5.36 -0.70 -3.66 117.98 134.31 1oia s PHE 77 Ca 0.50 0.33 -0.07 0.00 -0.96 0.00 0.00 56.93 56.73 1oia s PHE 77 Cb -0.07 -2.47 0.05 0.00 -0.34 0.00 0.00 43.02 40.19 1oia s PHE 77 CO 0.09 -0.15 0.73 0.66 -1.46 0.00 0.00 175.22 175.09 1oia n TYR 78 N 5.02 -1.94 -1.81 10.12 4.02 -1.26 -1.97 117.16 129.35 1oia n TYR 78 Ca -0.11 0.83 -0.21 0.00 -0.01 0.00 0.00 57.90 58.41 1oia n TYR 78 Cb 0.51 -3.86 -0.07 0.00 -0.02 0.00 0.00 39.34 35.90 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 -2.90 -5.55 -3.89 7.72 2.03 -1.24 -4.95 116.55 107.76 1oia n ASP 79 Ca -0.14 0.38 -0.26 0.00 0.52 0.00 0.00 54.79 55.29 1oia n ASP 79 Cb 0.60 -4.83 -0.17 0.00 -0.72 0.00 0.00 41.12 36.00 1oia n ASP 79 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1oia s LYS 80 N -4.08 1.41 0.10 -0.67 1.02 -0.83 -4.98 119.74 111.71 1oia s LYS 80 Ca 0.00 -0.21 -0.31 0.00 0.02 0.00 0.00 55.97 55.47 1oia s LYS 80 Cb 0.00 -1.49 -0.09 0.00 -0.52 0.00 0.00 37.83 35.72 1oia s LYS 80 CO 0.00 -0.26 1.74 -2.14 -0.92 0.00 0.00 175.35 173.77 1oia s PRO 81 N 1.68 4.17 0.22 -1.68 0.02 -1.26 -1.73 135.00 136.42 1oia s PRO 81 Ca 0.04 2.47 -0.30 0.00 0.02 0.00 0.00 61.00 63.23 1oia s PRO 81 Cb -0.13 -3.57 -0.09 0.00 0.02 0.00 0.00 34.50 30.74 1oia s PRO 81 CO -0.07 -0.78 1.25 -1.64 -0.33 0.00 0.00 177.00 175.42 1oia s MET 82 N 2.61 4.45 -0.30 5.54 -1.94 -0.15 -4.83 119.30 124.68 1oia s MET 82 Ca 0.77 1.98 -0.12 0.00 -1.71 0.00 0.00 55.69 56.61 1oia s MET 82 Cb -0.43 -3.20 -0.04 0.00 2.01 0.00 0.00 34.83 33.17 1oia s MET 82 CO 0.34 -0.14 0.24 1.03 -0.01 0.00 0.00 175.02 176.48 1oia s ARG 83 N -0.47 3.81 -0.05 2.03 0.52 -1.13 -0.48 118.95 123.18 1oia s ARG 83 Ca 0.53 -0.37 0.06 0.00 -0.52 0.00 0.00 55.73 55.44 1oia s ARG 83 Cb -0.35 -3.71 -0.01 0.00 0.52 0.00 0.00 34.95 31.40 1oia s ARG 83 CO 0.39 -0.29 -0.25 0.42 0.02 0.00 0.00 175.30 175.59 1oia s ILE 84 N 1.81 2.03 0.19 1.52 1.01 -1.26 -2.40 121.20 124.09 1oia s ILE 84 Ca 0.08 -1.06 -0.04 0.00 0.00 0.00 0.00 60.65 59.63 1oia s ILE 84 Cb -0.16 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 1oia s ILE 84 CO 0.11 0.57 0.18 0.00 0.00 0.00 0.00 174.94 175.80 1oia s GLN 85 N -0.23 1.18 0.36 2.79 -2.07 -0.77 -5.02 119.66 115.90 1oia s GLN 85 Ca -0.01 -1.47 -0.26 0.00 -1.82 0.00 0.00 55.36 51.80 1oia s GLN 85 Cb -0.13 0.31 -0.09 0.00 -1.09 0.00 0.00 33.01 32.01 1oia s GLN 85 CO 0.03 -0.40 1.09 0.71 -1.32 0.00 0.00 175.29 175.40 1oia s TYR 86 N -4.09 3.33 0.28 9.60 1.51 -1.26 -0.81 117.35 125.91 1oia s TYR 86 Ca 0.30 1.64 -0.30 0.00 -1.01 0.00 0.00 57.07 57.70 1oia s TYR 86 Cb 0.05 -3.24 -0.11 0.00 -0.11 0.00 0.00 41.96 38.55 1oia s TYR 86 CO 0.07 -0.76 1.56 0.00 -1.11 0.00 0.00 175.55 175.32 1oia s ALA 87 N -1.42 3.72 0.29 3.71 0.00 -0.16 -4.58 121.76 123.32 1oia s ALA 87 Ca 0.53 1.51 -0.29 0.00 0.00 0.00 0.00 51.96 53.71 1oia s ALA 87 Cb -0.28 -3.63 -0.10 0.00 0.00 0.00 0.00 23.12 19.12 1oia s ALA 87 CO 0.35 -0.92 1.32 0.15 0.00 0.00 0.00 175.76 176.65 1oia s LYS 88 N -0.42 4.36 -0.23 0.00 1.02 -1.26 -4.90 119.74 118.31 1oia s LYS 88 Ca 0.63 2.18 0.02 0.00 0.02 0.00 0.00 55.97 58.81 1oia s LYS 88 Cb -0.46 -3.11 -0.15 0.00 -0.52 0.00 0.00 37.83 33.59 1oia s LYS 88 CO 0.46 -0.22 -0.21 2.41 -0.92 0.00 0.00 175.35 176.88 1oia n THR 89 N 1.46 1.33 -1.62 2.17 -1.04 -1.26 -5.05 114.28 110.28 1oia n THR 89 Ca 0.02 -0.51 -0.47 0.00 -2.04 0.00 0.00 64.05 61.05 1oia n THR 89 Cb 0.42 -1.32 -0.03 0.00 -1.82 0.00 0.00 70.33 67.57 1oia n THR 89 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1oia n ASP 90 N -3.18 1.97 0.00 8.00 8.00 -1.26 -5.28 116.55 124.80 1oia n ASP 90 Ca -0.41 1.14 0.03 0.00 0.71 0.00 0.00 54.79 56.27 1oia n ASP 90 Cb 0.94 -1.31 0.21 0.00 -0.02 0.00 0.00 41.12 40.94 1oia n ASP 90 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27