#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bnq s ILE 1 N 0.00 5.15 -0.04 3.17 1.09 -1.26 -5.07 121.20 124.24 2bnq s ILE 1 Ca 0.00 1.07 0.01 0.00 -1.10 0.00 0.00 60.65 60.63 2bnq s ILE 1 Cb 0.00 -3.87 0.02 0.00 -1.06 0.00 0.00 42.46 37.55 2bnq s ILE 1 CO 0.00 0.30 -0.05 0.00 -0.10 0.00 0.00 174.94 175.10 2bnq s GLN 2 N 0.70 0.83 -0.12 2.79 -2.07 -1.26 -4.70 119.66 115.83 2bnq s GLN 2 Ca 0.29 -0.11 -0.02 0.00 -1.82 0.00 0.00 55.36 53.69 2bnq s GLN 2 Cb -0.16 -0.83 -0.03 0.00 -1.09 0.00 0.00 33.01 30.91 2bnq s GLN 2 CO 0.12 -0.07 -0.03 1.03 -1.32 0.00 0.00 175.29 175.02 2bnq s ARG 3 N 0.87 3.26 0.34 9.60 0.52 0.19 -4.93 118.95 128.81 2bnq s ARG 3 Ca -0.12 -0.49 -0.26 0.00 -0.52 0.00 0.00 55.73 54.35 2bnq s ARG 3 Cb -0.14 -2.81 -0.09 0.00 0.52 0.00 0.00 34.95 32.42 2bnq s ARG 3 CO 0.00 0.48 1.00 -0.08 0.02 0.00 0.00 175.30 176.73 2bnq s THR 4 N -0.28 3.93 0.40 0.02 -1.32 -1.26 -1.88 115.64 115.24 2bnq s THR 4 Ca 0.05 1.61 -0.25 0.00 -1.21 0.00 0.00 61.69 61.89 2bnq s THR 4 Cb -0.12 -3.89 -0.08 0.00 -1.51 0.00 0.00 72.50 66.89 2bnq s THR 4 CO 0.02 0.13 1.14 -2.16 -2.21 0.00 0.00 174.62 171.55 2bnq s PRO 5 N -2.11 4.07 0.16 7.08 0.04 -1.26 -4.38 135.00 138.60 2bnq s PRO 5 Ca 0.52 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 63.22 2bnq s PRO 5 Cb -0.22 -2.64 -0.07 0.00 0.04 0.00 0.00 34.50 31.61 2bnq s PRO 5 CO 0.28 -0.29 0.51 0.15 0.04 0.00 0.00 177.00 177.69 2bnq s LYS 6 N -2.34 3.86 -0.03 4.56 1.02 0.78 -4.91 119.74 122.68 2bnq s LYS 6 Ca 0.57 0.32 0.02 0.00 0.02 0.00 0.00 55.97 56.90 2bnq s LYS 6 Cb -0.29 -2.85 0.01 0.00 -0.52 0.00 0.00 37.83 34.18 2bnq s LYS 6 CO 0.36 0.44 -0.07 0.42 -0.92 0.00 0.00 175.35 175.59 2bnq s ILE 7 N -1.58 0.65 -0.06 2.17 1.01 -1.26 -1.93 121.20 120.21 2bnq s ILE 7 Ca 0.40 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.80 2bnq s ILE 7 Cb -0.13 -0.62 0.02 0.00 0.01 0.00 0.00 42.46 41.74 2bnq s ILE 7 CO 0.20 0.23 -0.03 -1.10 0.00 0.00 0.00 174.94 174.24 2bnq s GLN 8 N 0.48 0.73 -0.17 2.79 -0.21 -0.48 -4.99 119.66 117.81 2bnq s GLN 8 Ca -0.07 -0.02 -0.01 0.00 0.02 0.00 0.00 55.36 55.28 2bnq s GLN 8 Cb -0.11 -0.89 -0.01 0.00 1.00 0.00 0.00 33.01 33.01 2bnq s GLN 8 CO 0.01 -0.17 -0.12 0.54 -2.12 0.00 0.00 175.29 173.42 2bnq s VAL 9 N 1.35 2.98 0.33 1.09 0.11 -1.26 -0.28 120.40 124.72 2bnq s VAL 9 Ca -0.04 -0.66 -0.18 0.00 -2.93 0.00 0.00 61.98 58.16 2bnq s VAL 9 Cb -0.13 -2.28 0.04 0.00 -1.53 0.00 0.00 36.38 32.47 2bnq s VAL 9 CO -0.02 0.50 0.77 -0.72 -3.33 0.00 0.00 175.10 172.29 2bnq s TYR 10 N 0.85 -0.02 0.13 1.54 1.13 -0.12 -4.58 117.35 116.29 2bnq s TYR 10 Ca -0.03 -0.56 0.03 0.00 -1.41 0.00 0.00 57.07 55.10 2bnq s TYR 10 Cb -0.15 0.78 -0.04 0.00 -1.10 0.00 0.00 41.96 41.45 2bnq s TYR 10 CO 0.00 -1.40 0.19 -1.54 -2.51 0.00 0.00 175.55 170.29 2bnq s SER 11 N -3.01 5.95 0.11 -0.18 1.04 -1.26 0.10 113.70 116.44 2bnq s SER 11 Ca 0.14 0.06 -0.16 0.00 0.48 0.00 0.00 55.95 56.47 2bnq s SER 11 Cb -0.05 -1.70 -0.05 0.00 0.10 0.00 0.00 66.02 64.32 2bnq s SER 11 CO 0.09 0.10 1.53 -0.09 0.98 0.00 0.00 173.24 175.85 2bnq h ARG 12 N 2.57 0.64 -6.06 4.02 2.43 -1.46 -3.45 114.38 113.06 2bnq h ARG 12 Ca -0.47 -0.22 -0.59 0.00 -0.81 0.00 0.00 59.98 57.89 2bnq h ARG 12 Cb 1.19 -0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 30.57 2bnq h ARG 12 CO 0.68 0.78 -0.65 -1.01 -1.51 0.00 0.00 179.97 178.26 2bnq s HIS 13 N -4.89 2.51 0.17 2.20 3.76 -1.26 -5.04 115.29 112.74 2bnq s HIS 13 Ca -0.13 -0.40 -0.34 0.00 -0.15 0.00 0.00 55.06 54.04 2bnq s HIS 13 Cb 0.09 -1.37 -0.14 0.00 1.11 0.00 0.00 32.58 32.28 2bnq s HIS 13 CO 0.79 0.54 1.54 -2.30 -0.85 0.00 0.00 174.74 174.46 2bnq n PRO 14 N -0.88 2.09 -1.86 8.40 -0.02 -1.26 -4.87 135.00 136.60 2bnq n PRO 14 Ca -0.05 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 2bnq n PRO 14 Cb 0.62 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 2bnq n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bnq s ALA 15 N 0.73 3.80 -0.31 3.55 0.00 -1.26 -4.98 121.76 123.29 2bnq s ALA 15 Ca 0.77 1.41 -0.01 0.00 0.00 0.00 0.00 51.96 54.13 2bnq s ALA 15 Cb -0.69 -3.67 0.13 0.00 0.00 0.00 0.00 23.12 18.90 2bnq s ALA 15 CO 0.40 -0.91 0.26 -2.00 0.00 0.00 0.00 175.76 173.51 2bnq s GLU 16 N 1.56 0.37 -0.11 0.00 2.12 -1.26 -5.12 118.70 116.25 2bnq s GLU 16 Ca 0.73 -0.50 -0.38 0.00 0.36 0.00 0.00 54.97 55.18 2bnq s GLU 16 Cb -0.45 -0.87 -0.18 0.00 0.26 0.00 0.00 34.13 32.90 2bnq s GLU 16 CO 0.32 -1.08 1.09 0.09 -0.54 0.00 0.00 175.26 175.15 2bnq n ASN 17 N 4.97 0.26 0.00 -1.70 3.02 -1.26 -0.36 115.26 120.19 2bnq n ASN 17 Ca 0.01 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.62 2bnq n ASN 17 Cb 0.44 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 2bnq n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bnq n GLY 18 N 1.92 1.27 3.69 7.41 0.00 0.06 -4.97 105.19 114.57 2bnq n GLY 18 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 2bnq n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bnq s LYS 19 N -0.55 4.07 0.36 1.61 2.47 0.51 -4.97 119.74 123.24 2bnq s LYS 19 Ca 0.00 -0.27 -0.28 0.00 -1.56 0.00 0.00 55.97 53.86 2bnq s LYS 19 Cb 0.00 -3.32 -0.12 0.00 -1.46 0.00 0.00 37.83 32.93 2bnq s LYS 19 CO 0.00 0.30 1.38 0.45 0.16 0.00 0.00 175.35 177.64 2bnq n SER 20 N 3.47 3.23 -0.21 1.43 2.88 -1.26 -4.09 113.62 119.08 2bnq n SER 20 Ca -0.16 1.22 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 2bnq n SER 20 Cb 0.52 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 2bnq n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2bnq n ASN 21 N 0.61 0.00 -3.75 -3.46 2.85 0.21 -4.98 115.26 106.74 2bnq n ASN 21 Ca 0.03 -0.21 -0.16 0.00 -0.11 0.00 0.00 54.58 54.13 2bnq n ASN 21 Cb 0.37 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.23 2bnq n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2bnq s PHE 22 N -2.65 0.04 -0.19 1.20 0.40 -1.26 -1.56 117.98 113.96 2bnq s PHE 22 Ca 0.00 0.16 -0.16 0.00 -0.60 0.00 0.00 56.93 56.33 2bnq s PHE 22 Cb 0.00 -0.29 -0.04 0.00 0.51 0.00 0.00 43.02 43.20 2bnq s PHE 22 CO 0.00 -0.11 0.38 -1.17 0.70 0.00 0.00 175.22 175.02 2bnq s LEU 23 N 1.30 4.18 0.06 -0.37 2.96 0.46 -1.02 118.68 126.24 2bnq s LEU 23 Ca -0.06 0.52 0.08 0.00 -0.22 0.00 0.00 54.13 54.45 2bnq s LEU 23 Cb -0.13 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 2bnq s LEU 23 CO -0.03 -0.04 -0.19 0.20 -1.32 0.00 0.00 176.35 174.97 2bnq s ASN 24 N 0.93 3.72 -0.23 3.68 0.01 0.28 -2.00 114.94 121.33 2bnq s ASN 24 Ca 0.19 -0.49 -0.02 0.00 -0.71 0.00 0.00 52.86 51.83 2bnq s ASN 24 Cb -0.14 -0.54 0.07 0.00 0.41 0.00 0.00 41.25 41.05 2bnq s ASN 24 CO 0.07 0.23 0.04 0.00 -1.51 0.00 0.00 177.10 175.94 2bnq s TYR 26 N 1.73 3.20 -0.14 0.00 5.04 0.62 -1.14 117.35 126.66 2bnq s TYR 26 Ca 0.01 -0.07 -0.01 0.00 -2.44 0.00 0.00 57.07 54.57 2bnq s TYR 26 Cb -0.17 -2.37 -0.01 0.00 0.35 0.00 0.00 41.96 39.75 2bnq s TYR 26 CO -0.13 -0.25 -0.12 0.14 -1.34 0.00 0.00 175.55 173.85 2bnq s VAL 27 N 1.72 3.10 0.28 3.14 -7.23 -0.58 -1.38 120.40 119.44 2bnq s VAL 27 Ca 0.07 -0.64 -0.03 0.00 -1.81 0.00 0.00 61.98 59.57 2bnq s VAL 27 Cb -0.16 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 2bnq s VAL 27 CO 0.09 0.52 0.35 -0.94 -0.31 0.00 0.00 175.10 174.81 2bnq s SER 28 N 0.43 0.58 -1.65 4.85 1.04 -0.81 -0.84 113.70 117.30 2bnq s SER 28 Ca -0.09 -1.37 0.00 0.00 0.48 0.00 0.00 55.95 54.96 2bnq s SER 28 Cb -0.16 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2bnq s SER 28 CO 0.05 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.78 2bnq n GLY 29 N -0.45 0.92 3.75 7.32 0.00 -0.38 -0.15 105.19 116.20 2bnq n GLY 29 Ca 0.02 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 2bnq n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bnq s PHE 30 N -2.70 2.86 -0.29 1.61 -0.71 -1.17 -4.37 117.98 113.20 2bnq s PHE 30 Ca 0.00 -0.23 -0.19 0.00 -1.04 0.00 0.00 56.93 55.47 2bnq s PHE 30 Cb 0.00 -1.44 0.13 0.00 -1.21 0.00 0.00 43.02 40.51 2bnq s PHE 30 CO 0.00 0.47 0.97 -1.58 -1.34 0.00 0.00 175.22 173.74 2bnq s HIS 31 N -2.29 -0.58 1.24 3.49 2.46 -0.79 -0.36 115.29 118.47 2bnq s HIS 31 Ca 0.35 1.21 -0.18 0.00 0.47 0.00 0.00 55.06 56.91 2bnq s HIS 31 Cb -0.06 0.37 0.30 0.00 -0.13 0.00 0.00 32.58 33.06 2bnq s HIS 31 CO 0.23 -0.28 1.03 -2.14 -2.47 0.00 0.00 174.74 171.11 2bnq s PRO 32 N 1.03 -1.51 0.40 2.88 0.02 -1.26 -0.63 135.00 135.93 2bnq s PRO 32 Ca -0.05 0.24 0.22 0.00 0.02 0.00 0.00 61.00 61.42 2bnq s PRO 32 Cb -0.04 -1.53 0.64 0.00 0.02 0.00 0.00 34.50 33.58 2bnq s PRO 32 CO -0.13 -3.97 1.70 0.66 -0.33 0.00 0.00 177.00 174.94 2bnq h SER 33 N -2.77 0.00 -2.26 2.53 4.64 -1.99 -3.44 113.55 110.25 2bnq h SER 33 Ca -0.49 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.28 2bnq h SER 33 Cb 1.32 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.43 2bnq h SER 33 CO 0.39 0.28 1.25 -0.67 -0.87 0.00 0.00 176.83 177.21 2bnq n ASP 34 N -3.31 3.97 -3.70 4.97 2.03 -1.26 -4.94 116.55 114.30 2bnq n ASP 34 Ca 0.01 0.82 -0.14 0.00 0.52 0.00 0.00 54.79 56.00 2bnq n ASP 34 Cb 0.52 -1.51 -0.08 0.00 -0.72 0.00 0.00 41.12 39.33 2bnq n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2bnq s ILE 35 N 4.90 0.04 -0.18 5.18 2.07 -1.26 -4.65 121.20 127.30 2bnq s ILE 35 Ca 0.91 -0.34 -0.00 0.00 -1.41 0.00 0.00 60.65 59.81 2bnq s ILE 35 Cb -0.46 -0.70 0.01 0.00 0.13 0.00 0.00 42.46 41.44 2bnq s ILE 35 CO 0.43 -0.19 -0.15 -0.70 -1.91 0.00 0.00 174.94 172.42 2bnq s GLU 36 N -1.22 3.14 -0.06 3.50 2.12 -0.53 -5.00 118.70 120.65 2bnq s GLU 36 Ca -0.12 -0.76 0.03 0.00 0.36 0.00 0.00 54.97 54.47 2bnq s GLU 36 Cb -0.04 -2.68 0.01 0.00 0.26 0.00 0.00 34.13 31.68 2bnq s GLU 36 CO 0.05 -0.14 -0.13 0.08 -0.54 0.00 0.00 175.26 174.59 2bnq s VAL 37 N 1.18 1.20 -0.00 3.70 1.01 -1.26 -1.10 120.40 125.13 2bnq s VAL 37 Ca 0.02 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.49 2bnq s VAL 37 Cb -0.14 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 2bnq s VAL 37 CO -0.07 0.37 -0.07 -1.81 0.00 0.00 0.00 175.10 173.52 2bnq s ASP 38 N 0.51 0.83 -0.16 3.32 1.01 -0.30 -4.99 116.67 116.90 2bnq s ASP 38 Ca -0.12 -0.15 -0.08 0.00 0.71 0.00 0.00 52.55 52.91 2bnq s ASP 38 Cb -0.15 -0.09 -0.04 0.00 1.01 0.00 0.00 42.92 43.65 2bnq s ASP 38 CO 0.04 0.07 0.12 -0.76 0.21 0.00 0.00 175.17 174.85 2bnq s LEU 39 N -0.24 4.24 0.15 1.23 1.43 -1.26 -0.30 118.68 123.92 2bnq s LEU 39 Ca 0.02 0.32 0.10 0.00 -1.03 0.00 0.00 54.13 53.54 2bnq s LEU 39 Cb -0.03 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 2bnq s LEU 39 CO -0.00 0.29 -0.17 -0.76 0.23 0.00 0.00 176.35 175.93 2bnq s LEU 40 N -0.30 2.71 -0.25 1.79 1.43 0.41 -0.06 118.68 124.40 2bnq s LEU 40 Ca 0.11 -0.64 -0.00 0.00 -1.03 0.00 0.00 54.13 52.57 2bnq s LEU 40 Cb -0.12 -1.48 0.07 0.00 0.03 0.00 0.00 46.19 44.69 2bnq s LEU 40 CO 0.01 0.14 0.02 -0.75 0.23 0.00 0.00 176.35 176.00 2bnq s LYS 41 N -2.45 1.11 -1.36 1.70 2.20 0.76 -2.15 119.74 119.56 2bnq s LYS 41 Ca 0.20 -0.94 -0.06 0.00 -0.36 0.00 0.00 55.97 54.81 2bnq s LYS 41 Cb -0.09 -2.35 0.02 0.00 -1.51 0.00 0.00 37.83 33.90 2bnq s LYS 41 CO 0.11 -0.74 1.01 0.09 -0.36 0.00 0.00 175.35 175.46 2bnq n ASN 42 N 4.78 -4.05 0.00 1.43 3.02 0.32 -1.85 115.26 118.91 2bnq n ASN 42 Ca -0.07 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 2bnq n ASN 42 Cb 0.44 -4.60 0.00 0.00 -0.61 0.00 0.00 39.78 35.01 2bnq n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bnq n GLY 43 N -1.66 2.06 3.83 7.41 0.00 -1.26 -5.02 105.19 110.55 2bnq n GLY 43 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 2bnq n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bnq s GLU 44 N -0.07 3.36 0.09 1.61 0.41 -0.77 -5.02 118.70 118.32 2bnq s GLU 44 Ca 0.00 -0.20 -0.31 0.00 -0.41 0.00 0.00 54.97 54.05 2bnq s GLU 44 Cb 0.00 -3.10 -0.09 0.00 -1.78 0.00 0.00 34.13 29.16 2bnq s GLU 44 CO 0.00 0.74 1.59 0.50 -0.49 0.00 0.00 175.26 177.59 2bnq s ARG 45 N -0.93 4.22 0.26 1.61 3.52 -1.26 -0.17 118.95 126.20 2bnq s ARG 45 Ca 0.14 2.29 -0.30 0.00 -0.13 0.00 0.00 55.73 57.73 2bnq s ARG 45 Cb -0.12 -3.44 -0.09 0.00 -1.56 0.00 0.00 34.95 29.74 2bnq s ARG 45 CO 0.03 -0.66 1.00 0.42 -0.81 0.00 0.00 175.30 175.28 2bnq s ILE 46 N 2.07 3.87 0.00 4.11 1.01 0.91 -4.89 121.20 128.28 2bnq s ILE 46 Ca 0.71 1.87 0.00 0.00 0.00 0.00 0.00 60.65 63.23 2bnq s ILE 46 Cb -0.40 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 37.89 2bnq s ILE 46 CO 0.31 0.43 0.00 -1.84 0.00 0.00 0.00 174.94 173.85 2bnq n GLU 47 N 1.34 0.00 -2.72 2.79 0.28 -1.26 -4.51 120.64 116.56 2bnq n GLU 47 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.56 2bnq n GLU 47 Cb 0.46 -0.38 -0.03 0.00 1.43 0.00 0.00 31.44 32.93 2bnq n GLU 47 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2bnq s LYS 48 N 0.00 3.59 -0.18 3.44 3.01 -1.26 -4.97 119.74 123.37 2bnq s LYS 48 Ca 0.00 -1.41 -0.01 0.00 -1.01 0.00 0.00 55.97 53.54 2bnq s LYS 48 Cb 0.00 -5.16 -0.00 0.00 -1.01 0.00 0.00 37.83 31.66 2bnq s LYS 48 CO 0.00 -2.01 -0.11 0.08 0.51 0.00 0.00 175.35 173.82 2bnq s VAL 49 N 3.95 2.93 0.45 3.17 1.01 -1.26 -4.73 120.40 125.92 2bnq s VAL 49 Ca 0.40 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.80 2bnq s VAL 49 Cb -0.02 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 34.08 2bnq s VAL 49 CO -0.10 0.48 0.47 -1.83 0.00 0.00 0.00 175.10 174.13 2bnq s GLU 50 N 1.11 2.55 0.10 2.72 1.03 -0.68 -4.90 118.70 120.63 2bnq s GLU 50 Ca 0.01 -1.52 -0.07 0.00 0.03 0.00 0.00 54.97 53.41 2bnq s GLU 50 Cb -0.14 -2.48 -0.01 0.00 -0.80 0.00 0.00 34.13 30.70 2bnq s GLU 50 CO -0.03 -0.33 0.17 -3.38 -1.33 0.00 0.00 175.26 170.36 2bnq s HIS 51 N -2.49 0.29 0.91 4.83 -3.43 -1.26 -0.72 115.29 113.42 2bnq s HIS 51 Ca 0.50 -0.72 -0.12 0.00 -0.80 0.00 0.00 55.06 53.92 2bnq s HIS 51 Cb -0.05 -0.13 0.14 0.00 -1.43 0.00 0.00 32.58 31.11 2bnq s HIS 51 CO 0.30 -0.55 1.12 -1.54 -2.00 0.00 0.00 174.74 172.06 2bnq s SER 52 N -2.90 3.46 0.16 7.38 1.04 -0.05 -4.97 113.70 117.82 2bnq s SER 52 Ca 0.09 1.10 -0.30 0.00 0.48 0.00 0.00 55.95 57.31 2bnq s SER 52 Cb 0.05 -1.73 -0.07 0.00 0.10 0.00 0.00 66.02 64.37 2bnq s SER 52 CO -0.08 -2.60 1.06 -1.81 0.98 0.00 0.00 173.24 170.79 2bnq s ASP 53 N -3.84 7.34 0.08 7.02 1.01 -1.26 -4.75 116.67 122.27 2bnq s ASP 53 Ca 0.64 2.01 -0.35 0.00 0.71 0.00 0.00 52.55 55.56 2bnq s ASP 53 Cb -0.16 -2.60 -0.14 0.00 1.01 0.00 0.00 42.92 41.03 2bnq s ASP 53 CO 0.55 -0.16 1.61 -0.11 0.21 0.00 0.00 175.17 177.27 2bnq n LEU 54 N 2.43 2.93 -4.16 1.23 7.94 -1.26 -4.95 117.00 121.15 2bnq n LEU 54 Ca 0.02 1.06 -0.16 0.00 -1.11 0.00 0.00 56.01 55.83 2bnq n LEU 54 Cb 0.47 -1.37 -0.06 0.00 0.53 0.00 0.00 43.42 42.99 2bnq n LEU 54 CO 0.53 -0.36 0.01 -0.55 -1.11 0.00 0.00 177.39 175.92 2bnq s SER 55 N 1.63 1.06 0.14 1.96 0.15 -1.24 -5.06 113.70 112.33 2bnq s SER 55 Ca 0.83 -1.55 -0.08 0.00 0.70 0.00 0.00 55.95 55.86 2bnq s SER 55 Cb -0.74 0.59 -0.01 0.00 -1.71 0.00 0.00 66.02 64.15 2bnq s SER 55 CO 0.43 -1.16 0.23 0.72 1.20 0.00 0.00 173.24 174.66 2bnq s PHE 56 N -3.35 0.36 0.78 3.44 -0.12 -1.26 -2.14 117.98 115.68 2bnq s PHE 56 Ca 0.35 -0.75 -0.02 0.00 -0.05 0.00 0.00 56.93 56.45 2bnq s PHE 56 Cb 0.01 -0.10 0.16 0.00 -0.63 0.00 0.00 43.02 42.46 2bnq s PHE 56 CO 0.22 -0.64 1.07 -1.12 -0.05 0.00 0.00 175.22 174.69 2bnq s SER 57 N -2.94 4.00 0.30 1.98 0.01 0.29 -4.93 113.70 112.41 2bnq s SER 57 Ca 0.14 -0.42 0.04 0.00 1.31 0.00 0.00 55.95 57.02 2bnq s SER 57 Cb 0.04 0.19 0.68 0.00 0.21 0.00 0.00 66.02 67.14 2bnq s SER 57 CO -0.04 -2.12 1.80 0.50 0.41 0.00 0.00 173.24 173.80 2bnq h LYS 58 N -0.76 0.82 -0.61 12.44 3.64 -2.03 -0.24 116.57 129.83 2bnq h LYS 58 Ca -0.36 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2bnq h LYS 58 Cb 1.25 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2bnq h LYS 58 CO 0.36 0.54 0.00 -0.40 -2.27 0.00 0.00 179.45 177.68 2bnq n ASP 59 N -4.70 1.76 0.00 4.20 3.85 -1.26 -4.88 116.55 115.51 2bnq n ASP 59 Ca 0.22 -2.15 0.00 0.00 -0.71 0.00 0.00 54.79 52.15 2bnq n ASP 59 Cb 0.49 -0.38 0.00 0.00 -1.35 0.00 0.00 41.12 39.88 2bnq n ASP 59 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 2bnq n TRP 60 N 0.13 0.00 -2.39 2.11 7.02 -0.10 -5.01 117.44 119.19 2bnq n TRP 60 Ca 0.07 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.20 2bnq n TRP 60 Cb 0.36 -0.41 -0.02 0.00 -2.42 0.00 0.00 31.31 28.83 2bnq n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2bnq s SER 61 N -3.00 6.04 0.43 -0.99 1.04 -1.26 -4.66 113.70 111.30 2bnq s SER 61 Ca 0.00 2.07 -0.04 0.00 0.48 0.00 0.00 55.95 58.46 2bnq s SER 61 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 2bnq s SER 61 CO 0.00 -1.00 0.71 -0.36 0.98 0.00 0.00 173.24 173.57 2bnq s PHE 62 N -1.85 3.54 -0.08 5.02 0.08 0.52 -0.55 117.98 124.65 2bnq s PHE 62 Ca 0.70 0.69 -0.11 0.00 0.12 0.00 0.00 56.93 58.33 2bnq s PHE 62 Cb -0.21 -2.19 0.03 0.00 -0.57 0.00 0.00 43.02 40.08 2bnq s PHE 62 CO 0.24 -0.13 0.28 1.52 -0.10 0.00 0.00 175.22 177.03 2bnq s TYR 63 N -2.57 -0.27 -0.03 0.36 -0.85 -0.91 -1.25 117.35 111.84 2bnq s TYR 63 Ca 0.45 0.61 -0.09 0.00 -0.52 0.00 0.00 57.07 57.53 2bnq s TYR 63 Cb -0.10 0.10 0.01 0.00 0.38 0.00 0.00 41.96 42.35 2bnq s TYR 63 CO 0.41 -0.21 0.20 -0.51 -1.52 0.00 0.00 175.55 173.92 2bnq s LEU 64 N -0.26 1.28 -0.21 -3.49 1.43 -0.02 -3.64 118.68 113.76 2bnq s LEU 64 Ca -0.04 0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.12 2bnq s LEU 64 Cb -0.03 0.82 0.01 0.00 0.03 0.00 0.00 46.19 47.01 2bnq s LEU 64 CO 0.01 -0.28 -0.10 -0.22 0.23 0.00 0.00 176.35 176.00 2bnq s LEU 65 N -0.84 2.70 -0.11 1.79 2.96 -1.26 -1.53 118.68 122.40 2bnq s LEU 65 Ca -0.09 -0.55 -0.05 0.00 -0.22 0.00 0.00 54.13 53.22 2bnq s LEU 65 Cb -0.05 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 2bnq s LEU 65 CO 0.02 -0.03 0.08 -0.31 -1.32 0.00 0.00 176.35 174.78 2bnq s TYR 66 N 1.39 3.39 0.07 5.38 1.51 -0.29 -0.88 117.35 127.93 2bnq s TYR 66 Ca 0.05 0.37 -0.20 0.00 -1.01 0.00 0.00 57.07 56.27 2bnq s TYR 66 Cb -0.14 -1.88 0.05 0.00 -0.11 0.00 0.00 41.96 39.88 2bnq s TYR 66 CO -0.07 0.60 0.48 1.52 -1.11 0.00 0.00 175.55 176.97 2bnq s TYR 67 N -0.91 -0.35 -0.14 2.71 -0.85 0.10 -0.83 117.35 117.08 2bnq s TYR 67 Ca 0.14 0.28 -0.22 0.00 -0.52 0.00 0.00 57.07 56.75 2bnq s TYR 67 Cb -0.12 0.31 0.05 0.00 0.38 0.00 0.00 41.96 42.59 2bnq s TYR 67 CO 0.03 -0.66 0.56 -0.08 -1.52 0.00 0.00 175.55 173.88 2bnq s THR 68 N -2.84 0.01 0.20 -3.49 -1.32 -0.85 -1.69 115.64 105.66 2bnq s THR 68 Ca -0.03 -0.07 -0.30 0.00 -1.21 0.00 0.00 61.69 60.08 2bnq s THR 68 Cb -0.00 -0.82 -0.08 0.00 -1.51 0.00 0.00 72.50 70.09 2bnq s THR 68 CO -0.05 -0.04 1.10 -0.70 -2.21 0.00 0.00 174.62 172.72 2bnq s GLU 69 N -0.31 4.60 0.24 7.08 2.12 -1.26 -0.41 118.70 130.76 2bnq s GLU 69 Ca -0.05 1.74 -0.14 0.00 0.36 0.00 0.00 54.97 56.87 2bnq s GLU 69 Cb -0.03 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 31.10 2bnq s GLU 69 CO 0.04 0.10 0.50 -0.59 -0.54 0.00 0.00 175.26 174.77 2bnq s PHE 70 N -0.40 0.21 -0.32 5.30 -0.71 -0.60 -4.89 117.98 116.57 2bnq s PHE 70 Ca 0.49 -0.58 0.03 0.00 -1.04 0.00 0.00 56.93 55.82 2bnq s PHE 70 Cb -0.30 0.28 0.10 0.00 -1.21 0.00 0.00 43.02 41.88 2bnq s PHE 70 CO 0.36 -0.99 0.04 0.99 -1.34 0.00 0.00 175.22 174.28 2bnq s THR 71 N -3.98 1.97 0.73 -4.49 2.01 -1.26 0.64 115.64 111.26 2bnq s THR 71 Ca 0.18 -2.06 -0.15 0.00 0.31 0.00 0.00 61.69 59.97 2bnq s THR 71 Cb -0.01 -2.42 0.04 0.00 0.01 0.00 0.00 72.50 70.11 2bnq s THR 71 CO 0.06 -0.55 1.24 -2.16 -0.69 0.00 0.00 174.62 172.53 2bnq s PRO 72 N 1.07 2.07 0.24 4.92 0.04 -1.26 -4.73 135.00 137.35 2bnq s PRO 72 Ca 0.08 1.89 -0.10 0.00 0.04 0.00 0.00 61.00 62.92 2bnq s PRO 72 Cb -0.19 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 2bnq s PRO 72 CO -0.11 -1.92 0.41 0.95 0.04 0.00 0.00 177.00 176.37 2bnq s THR 73 N -1.81 0.00 0.20 1.26 -4.23 -1.26 -0.76 115.64 109.04 2bnq s THR 73 Ca 0.77 -1.54 -0.02 0.00 -1.18 0.00 0.00 61.69 59.73 2bnq s THR 73 Cb -0.33 -2.29 -0.06 0.00 1.34 0.00 0.00 72.50 71.16 2bnq s THR 73 CO 0.45 0.00 1.50 -0.33 -0.54 0.00 0.00 174.62 175.71 2bnq h GLU 74 N 2.32 0.48 0.08 3.99 4.39 -1.98 -3.36 114.58 120.50 2bnq h GLU 74 Ca -0.28 -0.32 -0.00 0.00 0.34 0.00 0.00 59.36 59.10 2bnq h GLU 74 Cb 1.25 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 2bnq h GLU 74 CO 0.39 0.93 -0.04 0.87 -1.16 0.00 0.00 179.01 180.00 2bnq h LYS 75 N 0.36 -0.10 -6.33 2.33 1.79 -2.02 -3.46 116.57 109.14 2bnq h LYS 75 Ca -0.00 0.01 -0.62 0.00 -2.18 0.00 0.00 60.65 57.86 2bnq h LYS 75 Cb 1.12 0.02 0.03 0.00 -1.58 0.00 0.00 32.23 31.83 2bnq h LYS 75 CO 0.11 0.06 0.96 -0.25 -1.08 0.00 0.00 179.45 179.25 2bnq n ASP 76 N -4.83 3.17 -4.50 0.86 8.00 -1.26 -4.98 116.55 113.01 2bnq n ASP 76 Ca -0.03 1.02 -0.33 0.00 0.71 0.00 0.00 54.79 56.16 2bnq n ASP 76 Cb 0.11 -1.36 -0.12 0.00 -0.02 0.00 0.00 41.12 39.72 2bnq n ASP 76 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2bnq s GLU 77 N 2.89 3.17 0.27 -1.24 -1.05 -1.26 -4.59 118.70 116.89 2bnq s GLU 77 Ca 0.89 -0.59 0.10 0.00 -0.15 0.00 0.00 54.97 55.22 2bnq s GLU 77 Cb -0.73 -2.68 -0.04 0.00 -0.44 0.00 0.00 34.13 30.23 2bnq s GLU 77 CO 0.48 0.42 -0.02 0.71 0.95 0.00 0.00 175.26 177.81 2bnq s TYR 78 N -0.16 2.65 0.25 4.83 2.02 -1.26 -0.53 117.35 125.15 2bnq s TYR 78 Ca 0.02 -0.25 -0.22 0.00 -0.37 0.00 0.00 57.07 56.25 2bnq s TYR 78 Cb -0.13 -1.21 0.04 0.00 -0.40 0.00 0.00 41.96 40.26 2bnq s TYR 78 CO 0.03 0.61 0.80 0.00 -1.57 0.00 0.00 175.55 175.42 2bnq s ALA 79 N -2.36 -1.31 -0.08 3.71 0.00 -0.91 -0.56 121.76 120.26 2bnq s ALA 79 Ca 0.32 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.08 2bnq s ALA 79 Cb -0.06 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.84 2bnq s ALA 79 CO 0.19 -1.04 -0.19 0.00 0.00 0.00 0.00 175.76 174.73 2bnq s ARG 81 N 0.37 3.02 -0.06 0.00 3.52 0.58 -0.74 118.95 125.64 2bnq s ARG 81 Ca -0.14 -0.86 0.06 0.00 -0.13 0.00 0.00 55.73 54.66 2bnq s ARG 81 Cb -0.16 -2.99 -0.01 0.00 -1.56 0.00 0.00 34.95 30.23 2bnq s ARG 81 CO 0.06 -0.33 -0.23 0.08 -0.81 0.00 0.00 175.30 174.06 2bnq s VAL 82 N 1.38 2.21 -0.01 7.11 1.01 0.17 -1.15 120.40 131.11 2bnq s VAL 82 Ca 0.02 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 61.04 2bnq s VAL 82 Cb -0.16 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 2bnq s VAL 82 CO -0.04 0.57 -0.16 0.21 0.00 0.00 0.00 175.10 175.68 2bnq s ASN 83 N -0.21 1.87 0.17 3.32 3.04 -0.26 -0.17 114.94 122.70 2bnq s ASN 83 Ca -0.02 -0.30 -0.14 0.00 0.04 0.00 0.00 52.86 52.45 2bnq s ASN 83 Cb -0.13 -0.21 0.01 0.00 -1.54 0.00 0.00 41.25 39.39 2bnq s ASN 83 CO 0.03 0.19 0.40 -2.28 -3.04 0.00 0.00 177.10 172.40 2bnq s HIS 84 N -0.39 0.06 0.50 0.43 2.46 -1.26 -1.46 115.29 115.62 2bnq s HIS 84 Ca 0.06 -0.41 0.15 0.00 0.47 0.00 0.00 55.06 55.33 2bnq s HIS 84 Cb -0.06 0.19 1.20 0.00 -0.13 0.00 0.00 32.58 33.78 2bnq s HIS 84 CO -0.01 -0.79 2.12 -0.39 -2.47 0.00 0.00 174.74 173.20 2bnq h VAL 85 N 2.38 1.00 0.00 0.89 -1.51 -1.95 -1.01 116.25 116.05 2bnq h VAL 85 Ca -0.31 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 2bnq h VAL 85 Cb 1.25 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 2bnq h VAL 85 CO 0.44 0.02 0.00 0.35 -1.23 0.00 0.00 177.57 177.15 2bnq n THR 86 N -4.52 0.08 -3.85 7.19 -2.24 -1.26 -4.69 114.28 104.99 2bnq n THR 86 Ca -0.01 0.02 -0.36 0.00 -2.27 0.00 0.00 64.05 61.43 2bnq n THR 86 Cb 0.13 -0.58 -0.13 0.00 -2.10 0.00 0.00 70.33 67.64 2bnq n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2bnq s LEU 87 N -2.31 3.25 0.49 3.22 1.43 -0.38 -4.95 118.68 119.43 2bnq s LEU 87 Ca 0.33 -0.47 0.25 0.00 -1.03 0.00 0.00 54.13 53.21 2bnq s LEU 87 Cb 0.18 -1.80 1.27 0.00 0.03 0.00 0.00 46.19 45.87 2bnq s LEU 87 CO 0.37 -0.07 2.00 0.77 0.23 0.00 0.00 176.35 179.64 2bnq h SER 88 N 8.16 0.00 -4.30 2.29 4.64 -1.84 -3.43 113.55 119.08 2bnq h SER 88 Ca -0.38 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.76 2bnq h SER 88 Cb 1.15 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.00 2bnq h SER 88 CO 0.60 0.16 -0.57 -1.58 -0.87 0.00 0.00 176.83 174.57 2bnq s GLN 89 N -4.09 0.26 0.25 4.77 0.74 -1.26 -5.12 119.66 115.21 2bnq s GLN 89 Ca -0.02 -0.11 -0.31 0.00 0.05 0.00 0.00 55.36 54.97 2bnq s GLN 89 Cb 0.13 0.11 -0.12 0.00 1.10 0.00 0.00 33.01 34.23 2bnq s GLN 89 CO 0.61 -0.05 1.64 -0.35 -0.55 0.00 0.00 175.29 176.58 2bnq n PRO 90 N 2.35 2.66 -3.37 1.67 -0.04 -1.26 -4.92 135.00 132.09 2bnq n PRO 90 Ca -0.17 0.95 -0.38 0.00 -0.04 0.00 0.00 63.50 63.87 2bnq n PRO 90 Cb 0.58 -2.75 -0.06 0.00 -0.04 0.00 0.00 33.50 31.22 2bnq n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2bnq s LYS 91 N 0.25 4.26 -0.19 0.54 2.20 0.76 -4.87 119.74 122.68 2bnq s LYS 91 Ca 0.70 0.40 -0.03 0.00 -0.36 0.00 0.00 55.97 56.68 2bnq s LYS 91 Cb -0.52 -3.39 -0.01 0.00 -1.51 0.00 0.00 37.83 32.39 2bnq s LYS 91 CO 0.41 0.27 -0.05 0.42 -0.36 0.00 0.00 175.35 176.04 2bnq s ILE 92 N 0.27 3.47 -0.20 5.43 1.09 -1.26 -0.66 121.20 129.33 2bnq s ILE 92 Ca 0.24 -0.48 0.00 0.00 -1.10 0.00 0.00 60.65 59.32 2bnq s ILE 92 Cb -0.15 -2.55 0.02 0.00 -1.06 0.00 0.00 42.46 38.72 2bnq s ILE 92 CO 0.10 0.45 -0.15 -0.69 -0.10 0.00 0.00 174.94 174.55 2bnq s VAL 93 N 1.03 2.35 0.32 2.92 1.01 0.08 -4.96 120.40 123.15 2bnq s VAL 93 Ca 0.01 -0.95 -0.27 0.00 0.00 0.00 0.00 61.98 60.77 2bnq s VAL 93 Cb -0.15 -2.06 -0.10 0.00 0.00 0.00 0.00 36.38 34.07 2bnq s VAL 93 CO 0.00 0.43 0.96 -0.54 0.00 0.00 0.00 175.10 175.95 2bnq s LYS 94 N 1.30 4.58 0.06 2.72 -0.14 -1.26 -0.50 119.74 126.50 2bnq s LYS 94 Ca 0.03 1.40 -0.30 0.00 -1.36 0.00 0.00 55.97 55.73 2bnq s LYS 94 Cb -0.14 -2.86 -0.05 0.00 -1.68 0.00 0.00 37.83 33.10 2bnq s LYS 94 CO -0.10 0.26 1.11 -0.46 -0.76 0.00 0.00 175.35 175.40 2bnq s TRP 95 N -1.54 3.54 -0.27 3.18 -0.00 0.28 -4.90 118.94 119.23 2bnq s TRP 95 Ca 0.49 1.48 0.00 0.00 -0.00 0.00 0.00 56.10 58.08 2bnq s TRP 95 Cb -0.21 -3.30 0.08 0.00 -0.00 0.00 0.00 33.47 30.04 2bnq s TRP 95 CO 0.26 -0.76 0.02 0.34 -0.00 0.00 0.00 176.95 176.81 2bnq s ASP 96 N 0.83 3.96 0.06 5.86 -1.08 -1.26 -4.74 116.67 120.30 2bnq s ASP 96 Ca 0.55 -1.44 0.03 0.00 -0.52 0.00 0.00 52.55 51.17 2bnq s ASP 96 Cb -0.27 -1.11 -0.25 0.00 -1.46 0.00 0.00 42.92 39.84 2bnq s ASP 96 CO 0.30 -0.32 1.06 0.08 0.52 0.00 0.00 175.17 176.81 2bnq h ARG 97 N 7.96 0.12 -0.72 4.34 -0.00 -1.95 -3.33 114.38 120.81 2bnq h ARG 97 Ca -0.14 -0.21 0.18 0.00 -0.00 0.00 0.00 59.98 59.81 2bnq h ARG 97 Cb 1.05 0.08 -0.04 0.00 -0.00 0.00 0.00 29.97 31.06 2bnq h ARG 97 CO 0.44 1.01 0.50 0.22 -0.00 0.00 0.00 179.97 182.14 2bnq h ASP 98 N 0.03 0.19 0.00 0.08 1.82 -2.00 -3.47 116.42 113.07 2bnq h ASP 98 Ca -0.13 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 2bnq h ASP 98 Cb 1.91 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.89 2bnq h ASP 98 CO 0.15 0.09 0.00 1.15 -1.61 0.00 0.00 179.24 179.02