#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vb5 s ILE 1 N 0.00 3.51 -1.08 1.12 1.10 -1.26 -4.90 121.20 119.69 2vb5 s ILE 1 Ca 0.00 -0.66 -0.11 0.00 -0.51 0.00 0.00 60.65 59.38 2vb5 s ILE 1 Cb 0.00 -4.30 0.25 0.00 0.15 0.00 0.00 42.46 38.56 2vb5 s ILE 1 CO 0.00 -1.00 1.12 -1.10 -2.11 0.00 0.00 174.94 171.85 2vb5 s GLN 2 N 6.69 4.09 0.12 3.50 -0.21 -1.26 -4.67 119.66 127.90 2vb5 s GLN 2 Ca 0.69 -2.97 -0.30 0.00 0.02 0.00 0.00 55.36 52.80 2vb5 s GLN 2 Cb -0.04 -4.63 -0.06 0.00 1.00 0.00 0.00 33.01 29.28 2vb5 s GLN 2 CO 0.06 -1.35 0.99 1.03 -2.12 0.00 0.00 175.29 173.90 2vb5 s ARG 3 N -0.48 4.66 0.37 2.91 0.52 -1.20 -4.92 118.95 120.80 2vb5 s ARG 3 Ca 0.31 1.51 -0.10 0.00 -0.52 0.00 0.00 55.73 56.93 2vb5 s ARG 3 Cb -0.09 -3.36 -0.06 0.00 0.52 0.00 0.00 34.95 31.96 2vb5 s ARG 3 CO -0.07 0.16 0.72 0.95 0.02 0.00 0.00 175.30 177.08 2vb5 s THR 4 N 0.05 4.83 -0.17 0.02 -4.23 -1.26 -1.18 115.64 113.70 2vb5 s THR 4 Ca 0.48 0.54 -0.29 0.00 -1.18 0.00 0.00 61.69 61.24 2vb5 s THR 4 Cb -0.24 -3.71 -0.05 0.00 1.34 0.00 0.00 72.50 69.83 2vb5 s THR 4 CO 0.31 -0.43 1.95 -2.16 -0.54 0.00 0.00 174.62 173.75 2vb5 s PRO 5 N -3.66 3.57 -0.22 3.99 0.04 -1.26 -4.23 135.00 133.23 2vb5 s PRO 5 Ca 0.50 2.00 -0.28 0.00 0.04 0.00 0.00 61.00 63.26 2vb5 s PRO 5 Cb -0.10 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.23 2vb5 s PRO 5 CO 0.29 -1.59 0.98 0.21 0.04 0.00 0.00 177.00 176.93 2vb5 s LYS 6 N 5.38 4.26 -0.06 4.56 2.20 -0.52 -4.92 119.74 130.64 2vb5 s LYS 6 Ca 0.88 1.25 -0.16 0.00 -0.36 0.00 0.00 55.97 57.58 2vb5 s LYS 6 Cb -0.32 -3.63 -0.05 0.00 -1.51 0.00 0.00 37.83 32.32 2vb5 s LYS 6 CO 0.35 -0.56 0.43 0.96 -0.36 0.00 0.00 175.35 176.17 2vb5 s ILE 7 N 2.96 5.11 -0.44 5.43 -4.36 -1.26 -2.40 121.20 126.24 2vb5 s ILE 7 Ca 0.42 0.87 0.05 0.00 -0.26 0.00 0.00 60.65 61.73 2vb5 s ILE 7 Cb -0.15 -3.75 0.17 0.00 1.25 0.00 0.00 42.46 39.98 2vb5 s ILE 7 CO 0.08 0.46 0.51 -1.10 0.24 0.00 0.00 174.94 175.12 2vb5 s GLN 8 N -0.25 0.88 -0.86 0.37 -1.52 -1.22 -5.03 119.66 112.02 2vb5 s GLN 8 Ca 0.24 -1.22 -0.01 0.00 -1.95 0.00 0.00 55.36 52.42 2vb5 s GLN 8 Cb -0.16 -0.61 0.21 0.00 -0.22 0.00 0.00 33.01 32.23 2vb5 s GLN 8 CO 0.11 -1.29 0.74 0.08 -0.25 0.00 0.00 175.29 174.68 2vb5 s VAL 9 N 0.90 4.16 0.36 1.09 1.01 -1.25 -1.65 120.40 125.01 2vb5 s VAL 9 Ca 0.26 -3.90 0.08 0.00 0.00 0.00 0.00 61.98 58.42 2vb5 s VAL 9 Cb -0.04 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 2vb5 s VAL 9 CO -0.08 -1.07 0.10 -0.72 0.00 0.00 0.00 175.10 173.33 2vb5 s TYR 10 N -1.33 2.63 0.02 5.22 1.13 -1.12 -1.18 117.35 122.71 2vb5 s TYR 10 Ca 0.27 -0.45 -0.17 0.00 -1.41 0.00 0.00 57.07 55.31 2vb5 s TYR 10 Cb -0.07 -1.66 -0.06 0.00 -1.10 0.00 0.00 41.96 39.07 2vb5 s TYR 10 CO -0.13 0.36 0.47 -1.54 -2.51 0.00 0.00 175.55 172.20 2vb5 s SER 11 N -3.81 6.89 -0.03 -0.18 1.04 -1.26 -0.58 113.70 115.78 2vb5 s SER 11 Ca 0.37 1.06 -0.01 0.00 0.48 0.00 0.00 55.95 57.85 2vb5 s SER 11 Cb -0.00 -2.29 -0.01 0.00 0.10 0.00 0.00 66.02 63.82 2vb5 s SER 11 CO 0.21 0.28 0.11 -0.09 0.98 0.00 0.00 173.24 174.73 2vb5 h ARG 12 N 4.82 -0.04 -6.44 4.02 2.43 -1.37 -3.46 114.38 114.34 2vb5 h ARG 12 Ca -0.50 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.14 2vb5 h ARG 12 Cb 1.21 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 2vb5 h ARG 12 CO 0.63 -0.02 -0.05 -1.01 -1.51 0.00 0.00 179.97 178.01 2vb5 s HIS 13 N -1.42 3.51 -0.08 2.20 3.76 -1.26 -5.00 115.29 117.00 2vb5 s HIS 13 Ca -0.01 1.04 -0.30 0.00 -0.15 0.00 0.00 55.06 55.65 2vb5 s HIS 13 Cb 0.00 -2.37 -0.04 0.00 1.11 0.00 0.00 32.58 31.28 2vb5 s HIS 13 CO 0.02 0.32 1.37 -1.25 -0.85 0.00 0.00 174.74 174.34 2vb5 s PRO 14 N -2.42 4.26 -1.40 8.40 0.04 -1.26 -4.78 135.00 137.84 2vb5 s PRO 14 Ca 0.44 1.85 -0.09 0.00 0.04 0.00 0.00 61.00 63.25 2vb5 s PRO 14 Cb -0.13 -3.71 0.08 0.00 0.04 0.00 0.00 34.50 30.77 2vb5 s PRO 14 CO 0.20 -0.65 2.35 0.00 0.04 0.00 0.00 177.00 178.94 2vb5 n ALA 15 N 6.10 6.42 -0.07 8.56 0.00 -1.05 -4.63 120.51 135.83 2vb5 n ALA 15 Ca 0.14 -4.00 -0.13 0.00 0.00 0.00 0.00 53.44 49.45 2vb5 n ALA 15 Cb 0.44 -3.07 -0.06 0.00 0.00 0.00 0.00 19.45 16.77 2vb5 n ALA 15 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2vb5 h GLU 16 N 5.19 0.51 -4.90 0.00 5.08 -1.91 -3.48 114.58 115.07 2vb5 h GLU 16 Ca 0.64 -0.27 -0.46 0.00 -1.00 0.00 0.00 59.36 58.27 2vb5 h GLU 16 Cb 0.43 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.56 2vb5 h GLU 16 CO 1.65 0.85 -0.52 -0.80 -1.00 0.00 0.00 179.01 179.18 2vb5 s ASN 17 N -6.31 1.75 -0.68 1.42 -0.87 -1.26 -5.10 114.94 103.89 2vb5 s ASN 17 Ca -0.13 -1.67 -0.26 0.00 -1.57 0.00 0.00 52.86 49.23 2vb5 s ASN 17 Cb 0.07 0.50 -0.02 0.00 -0.02 0.00 0.00 41.25 41.77 2vb5 s ASN 17 CO 0.79 -0.98 1.86 -0.83 -2.57 0.00 0.00 177.10 175.36 2vb5 s GLY 18 N -3.41 0.22 -0.28 0.66 0.00 -1.26 -4.85 107.32 98.41 2vb5 s GLY 18 Ca 0.36 -0.88 -0.21 0.00 0.00 0.00 0.00 44.72 43.99 2vb5 s GLY 18 CO 0.21 3.41 0.76 1.25 0.00 0.00 0.00 173.10 178.73 2vb5 s LYS 19 N 6.98 0.72 -0.35 2.90 2.20 -1.25 -4.95 119.74 125.99 2vb5 s LYS 19 Ca 0.67 1.02 -0.31 0.00 -0.36 0.00 0.00 55.97 56.99 2vb5 s LYS 19 Cb -0.11 0.27 -0.09 0.00 -1.51 0.00 0.00 37.83 36.39 2vb5 s LYS 19 CO 0.15 -0.11 2.27 0.43 -0.36 0.00 0.00 175.35 177.73 2vb5 n SER 20 N 3.34 2.52 -4.41 1.43 7.64 -1.26 -4.42 113.62 118.46 2vb5 n SER 20 Ca -0.16 0.15 -0.21 0.00 1.01 0.00 0.00 58.87 59.66 2vb5 n SER 20 Cb 0.57 -1.42 -0.10 0.00 -1.01 0.00 0.00 64.21 62.25 2vb5 n SER 20 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2vb5 s ASN 21 N 8.67 3.07 -0.22 6.43 0.01 -0.66 -4.98 114.94 127.25 2vb5 s ASN 21 Ca 1.06 -1.05 -0.14 0.00 -0.71 0.00 0.00 52.86 52.02 2vb5 s ASN 21 Cb -0.55 -0.22 -0.04 0.00 0.41 0.00 0.00 41.25 40.85 2vb5 s ASN 21 CO 0.40 -0.10 0.30 -0.36 -1.51 0.00 0.00 177.10 175.82 2vb5 s PHE 22 N -2.76 3.34 0.73 2.20 0.08 -1.26 -0.63 117.98 119.67 2vb5 s PHE 22 Ca 0.27 0.43 -0.11 0.00 0.12 0.00 0.00 56.93 57.64 2vb5 s PHE 22 Cb -0.02 -2.42 0.03 0.00 -0.57 0.00 0.00 43.02 40.04 2vb5 s PHE 22 CO 0.11 0.00 1.07 -1.17 -0.10 0.00 0.00 175.22 175.14 2vb5 s LEU 23 N 1.27 2.96 -0.41 -0.37 2.96 -0.25 -0.98 118.68 123.86 2vb5 s LEU 23 Ca 0.14 1.52 0.07 0.00 -0.22 0.00 0.00 54.13 55.64 2vb5 s LEU 23 Cb -0.14 -4.31 0.23 0.00 0.50 0.00 0.00 46.19 42.47 2vb5 s LEU 23 CO 0.07 -1.61 0.54 0.59 -1.32 0.00 0.00 176.35 174.62 2vb5 n ASN 24 N -3.23 -0.49 -4.56 3.68 4.13 0.25 -4.04 115.26 111.00 2vb5 n ASN 24 Ca 0.07 -2.72 -0.36 0.00 1.68 0.00 0.00 54.58 53.25 2vb5 n ASN 24 Cb 0.54 -0.21 -0.04 0.00 -1.54 0.00 0.00 39.78 38.54 2vb5 n ASN 24 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2vb5 s TYR 26 N 6.74 3.29 -0.58 0.00 5.04 -0.66 -1.65 117.35 129.54 2vb5 s TYR 26 Ca 0.54 -1.51 -0.18 0.00 -2.44 0.00 0.00 57.07 53.48 2vb5 s TYR 26 Cb -0.02 -4.12 0.11 0.00 0.35 0.00 0.00 41.96 38.28 2vb5 s TYR 26 CO -0.07 -1.33 0.64 0.08 -1.34 0.00 0.00 175.55 173.53 2vb5 s VAL 27 N 1.96 4.95 -0.14 3.14 1.01 -1.07 -3.38 120.40 126.87 2vb5 s VAL 27 Ca 0.26 -1.17 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 2vb5 s VAL 27 Cb -0.08 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 2vb5 s VAL 27 CO -0.08 -1.04 0.04 -0.94 0.00 0.00 0.00 175.10 173.08 2vb5 s SER 28 N 3.62 5.48 -0.41 3.32 1.04 -1.01 -2.79 113.70 122.95 2vb5 s SER 28 Ca 0.09 0.11 -0.00 0.00 0.48 0.00 0.00 55.95 56.63 2vb5 s SER 28 Cb -0.26 -1.81 -0.00 0.00 0.10 0.00 0.00 66.02 64.04 2vb5 s SER 28 CO 0.05 0.26 0.35 0.61 0.98 0.00 0.00 173.24 175.48 2vb5 n GLY 29 N 2.97 0.16 3.51 7.32 0.00 -0.58 -1.44 105.19 117.13 2vb5 n GLY 29 Ca -0.18 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 2vb5 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vb5 s PHE 30 N -3.13 3.23 -0.14 1.61 -0.12 -1.26 -4.03 117.98 114.13 2vb5 s PHE 30 Ca 0.03 -0.32 -0.00 0.00 -0.05 0.00 0.00 56.93 56.59 2vb5 s PHE 30 Cb -0.00 -2.48 -0.01 0.00 -0.63 0.00 0.00 43.02 39.89 2vb5 s PHE 30 CO 0.26 -0.41 -0.13 -1.01 -0.05 0.00 0.00 175.22 173.88 2vb5 s HIS 31 N 1.70 2.82 0.72 3.49 3.76 -0.32 -3.87 115.29 123.59 2vb5 s HIS 31 Ca 0.06 -0.74 -0.12 0.00 -0.15 0.00 0.00 55.06 54.10 2vb5 s HIS 31 Cb -0.18 -1.87 0.17 0.00 1.11 0.00 0.00 32.58 31.81 2vb5 s HIS 31 CO 0.10 -0.29 0.85 -0.35 -0.85 0.00 0.00 174.74 174.21 2vb5 n PRO 32 N 3.72 -1.41 0.00 8.40 -0.04 -1.26 -3.28 135.00 141.13 2vb5 n PRO 32 Ca -0.18 -1.33 0.01 0.00 -0.04 0.00 0.00 63.50 61.96 2vb5 n PRO 32 Cb 0.52 -0.99 0.06 0.00 -0.04 0.00 0.00 33.50 33.05 2vb5 n PRO 32 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2vb5 n SER 33 N -3.81 0.00 -3.62 3.54 3.41 -1.25 -4.61 113.62 107.28 2vb5 n SER 33 Ca 0.11 -1.56 -0.41 0.00 -0.26 0.00 0.00 58.87 56.75 2vb5 n SER 33 Cb 0.40 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.34 2vb5 n SER 33 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2vb5 n ASP 34 N -0.54 6.99 -4.90 4.04 -0.08 -1.26 -4.96 116.55 115.85 2vb5 n ASP 34 Ca 0.02 -3.13 -0.21 0.00 -1.51 0.00 0.00 54.79 49.96 2vb5 n ASP 34 Cb 0.01 -1.40 -0.03 0.00 2.34 0.00 0.00 41.12 42.03 2vb5 n ASP 34 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 2vb5 s ILE 35 N -0.60 4.54 -0.39 5.18 2.07 -1.26 -4.13 121.20 126.61 2vb5 s ILE 35 Ca 0.49 -1.22 0.03 0.00 -1.41 0.00 0.00 60.65 58.54 2vb5 s ILE 35 Cb 0.15 -3.52 0.16 0.00 0.13 0.00 0.00 42.46 39.38 2vb5 s ILE 35 CO -0.06 -0.30 0.31 -1.61 -1.91 0.00 0.00 174.94 171.38 2vb5 s GLU 36 N -3.95 0.76 -1.22 3.50 2.02 -0.26 -5.02 118.70 114.53 2vb5 s GLU 36 Ca 0.36 -1.71 -0.12 0.00 0.02 0.00 0.00 54.97 53.52 2vb5 s GLU 36 Cb -0.08 -1.27 0.18 0.00 0.10 0.00 0.00 34.13 33.06 2vb5 s GLU 36 CO 0.27 -1.31 1.55 0.28 0.02 0.00 0.00 175.26 176.07 2vb5 n VAL 37 N 3.36 4.34 -2.51 2.63 0.31 -1.26 -2.78 118.33 122.43 2vb5 n VAL 37 Ca 0.22 -4.72 -0.42 0.00 -0.01 0.00 0.00 64.34 59.41 2vb5 n VAL 37 Cb 0.44 -2.43 0.01 0.00 -0.91 0.00 0.00 33.84 30.95 2vb5 n VAL 37 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2vb5 n ASP 38 N 4.77 6.81 -4.62 4.52 9.92 -1.06 -4.87 116.55 132.01 2vb5 n ASP 38 Ca 0.36 -3.36 -0.38 0.00 -0.53 0.00 0.00 54.79 50.89 2vb5 n ASP 38 Cb 0.40 -1.31 0.05 0.00 -0.64 0.00 0.00 41.12 39.63 2vb5 n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2vb5 n LEU 39 N 1.58 3.90 -4.54 0.64 -0.00 -1.26 -4.25 117.00 113.07 2vb5 n LEU 39 Ca 0.44 0.81 -0.25 0.00 -0.00 0.00 0.00 56.01 57.00 2vb5 n LEU 39 Cb 0.30 -1.40 -0.09 0.00 -0.00 0.00 0.00 43.42 42.22 2vb5 n LEU 39 CO 0.68 -1.79 -0.25 -0.76 -0.00 0.00 0.00 177.39 175.28 2vb5 s LEU 40 N -2.24 2.23 -0.26 1.47 1.43 -0.64 -2.82 118.68 117.86 2vb5 s LEU 40 Ca 0.76 -1.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.34 2vb5 s LEU 40 Cb -0.41 -0.42 0.13 0.00 0.03 0.00 0.00 46.19 45.52 2vb5 s LEU 40 CO 0.46 -0.72 0.33 -1.59 0.23 0.00 0.00 176.35 175.06 2vb5 s LYS 41 N -3.81 0.32 -1.45 1.70 -2.85 0.40 -3.73 119.74 110.32 2vb5 s LYS 41 Ca 0.28 0.19 -0.06 0.00 -1.00 0.00 0.00 55.97 55.38 2vb5 s LYS 41 Cb 0.06 -0.65 0.04 0.00 -2.06 0.00 0.00 37.83 35.22 2vb5 s LYS 41 CO 0.14 -0.83 0.69 -1.71 0.10 0.00 0.00 175.35 173.73 2vb5 n ASN 42 N 5.34 -2.06 0.00 0.03 2.85 -1.25 -1.54 115.26 118.63 2vb5 n ASN 42 Ca -0.03 -0.90 0.00 0.00 -0.11 0.00 0.00 54.58 53.54 2vb5 n ASN 42 Cb 0.49 -3.50 0.00 0.00 1.24 0.00 0.00 39.78 38.01 2vb5 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2vb5 n GLY 43 N -1.71 2.49 3.75 8.20 0.00 -1.26 -5.01 105.19 111.65 2vb5 n GLY 43 Ca -0.17 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 2vb5 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vb5 s GLU 44 N 0.00 4.84 0.37 1.61 0.41 -0.59 -4.96 118.70 120.38 2vb5 s GLU 44 Ca 0.00 1.51 -0.25 0.00 -0.41 0.00 0.00 54.97 55.82 2vb5 s GLU 44 Cb 0.00 -3.27 -0.09 0.00 -1.78 0.00 0.00 34.13 28.99 2vb5 s GLU 44 CO 0.00 0.49 1.05 0.50 -0.49 0.00 0.00 175.26 176.81 2vb5 s ARG 45 N -1.21 4.30 0.22 1.61 3.52 -1.26 -0.45 118.95 125.67 2vb5 s ARG 45 Ca 0.41 1.55 -0.31 0.00 -0.13 0.00 0.00 55.73 57.26 2vb5 s ARG 45 Cb -0.26 -2.70 -0.10 0.00 -1.56 0.00 0.00 34.95 30.33 2vb5 s ARG 45 CO 0.32 -0.03 1.51 0.42 -0.81 0.00 0.00 175.30 176.71 2vb5 s ILE 46 N -1.55 2.58 -0.10 4.11 -1.09 -1.13 -4.87 121.20 119.15 2vb5 s ILE 46 Ca 0.54 0.46 -0.01 0.00 -2.23 0.00 0.00 60.65 59.41 2vb5 s ILE 46 Cb -0.24 -3.29 -0.00 0.00 -1.58 0.00 0.00 42.46 37.35 2vb5 s ILE 46 CO 0.30 0.06 -0.02 -0.33 -1.23 0.00 0.00 174.94 173.72 2vb5 h GLU 47 N 5.67 0.00 -4.54 2.79 5.08 -1.95 -3.41 114.58 118.23 2vb5 h GLU 47 Ca -0.45 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.18 2vb5 h GLU 47 Cb 1.21 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.32 2vb5 h GLU 47 CO 0.83 0.00 1.87 1.63 -1.00 0.00 0.00 179.01 182.34 2vb5 n LYS 48 N -4.63 3.36 -2.79 2.33 5.02 -1.26 -4.97 118.16 115.22 2vb5 n LYS 48 Ca -0.01 -3.54 -0.42 0.00 -2.02 0.00 0.00 58.31 52.33 2vb5 n LYS 48 Cb 0.03 -3.12 -0.03 0.00 -0.02 0.00 0.00 35.03 31.89 2vb5 n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2vb5 s VAL 49 N 1.88 4.88 -0.16 -0.18 1.01 -1.26 -4.67 120.40 121.89 2vb5 s VAL 49 Ca 0.44 1.89 -0.01 0.00 0.00 0.00 0.00 61.98 64.30 2vb5 s VAL 49 Cb 0.03 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 2vb5 s VAL 49 CO 0.01 0.13 -0.11 -1.61 0.00 0.00 0.00 175.10 173.52 2vb5 s GLU 50 N 1.33 3.37 0.13 2.72 2.02 -1.24 -5.03 118.70 122.00 2vb5 s GLU 50 Ca 0.47 -0.67 0.10 0.00 0.02 0.00 0.00 54.97 54.89 2vb5 s GLU 50 Cb -0.19 -2.75 -0.04 0.00 0.10 0.00 0.00 34.13 31.25 2vb5 s GLU 50 CO 0.22 0.07 -0.25 -3.38 0.02 0.00 0.00 175.26 171.93 2vb5 s HIS 51 N 0.74 2.18 -1.10 1.61 -3.43 -1.26 -1.72 115.29 112.32 2vb5 s HIS 51 Ca -0.05 -0.39 0.11 0.00 -0.80 0.00 0.00 55.06 53.94 2vb5 s HIS 51 Cb -0.15 -1.17 0.50 0.00 -1.43 0.00 0.00 32.58 30.32 2vb5 s HIS 51 CO 0.02 0.32 1.34 0.45 -2.00 0.00 0.00 174.74 174.86 2vb5 n SER 52 N 0.90 3.53 -1.04 7.38 2.88 -1.22 -4.92 113.62 121.13 2vb5 n SER 52 Ca -0.18 -2.37 0.13 0.00 -1.33 0.00 0.00 58.87 55.12 2vb5 n SER 52 Cb 0.53 -0.51 -0.06 0.00 -0.75 0.00 0.00 64.21 63.43 2vb5 n SER 52 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2vb5 n ASP 53 N 0.62 -6.03 -4.23 -3.46 -0.08 -1.26 -4.44 116.55 97.66 2vb5 n ASP 53 Ca 0.18 0.85 -0.38 0.00 -1.51 0.00 0.00 54.79 53.92 2vb5 n ASP 53 Cb 0.69 -3.43 -0.04 0.00 2.34 0.00 0.00 41.12 40.69 2vb5 n ASP 53 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2vb5 n LEU 54 N -3.76 4.35 -4.83 -2.67 7.94 -1.26 -4.40 117.00 112.37 2vb5 n LEU 54 Ca -0.04 -3.45 -0.38 0.00 -1.11 0.00 0.00 56.01 51.03 2vb5 n LEU 54 Cb 0.49 -1.59 -0.06 0.00 0.53 0.00 0.00 43.42 42.79 2vb5 n LEU 54 CO 0.02 -0.54 0.07 -0.55 -1.11 0.00 0.00 177.39 175.28 2vb5 s SER 55 N 5.06 6.74 -0.27 1.96 0.15 -1.25 -4.91 113.70 121.18 2vb5 s SER 55 Ca 0.59 0.88 -0.13 0.00 0.70 0.00 0.00 55.95 57.99 2vb5 s SER 55 Cb 0.06 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 62.10 2vb5 s SER 55 CO 0.08 0.32 0.28 -0.36 1.20 0.00 0.00 173.24 174.76 2vb5 s PHE 56 N -0.95 3.25 -1.16 3.44 0.40 -1.26 -0.88 117.98 120.82 2vb5 s PHE 56 Ca 0.22 0.29 -0.21 0.00 -0.60 0.00 0.00 56.93 56.64 2vb5 s PHE 56 Cb -0.16 -2.47 0.05 0.00 0.51 0.00 0.00 43.02 40.96 2vb5 s PHE 56 CO 0.12 -0.16 1.63 0.45 0.70 0.00 0.00 175.22 177.95 2vb5 s SER 57 N 1.61 6.57 0.00 1.36 0.15 -0.76 -4.47 113.70 118.16 2vb5 s SER 57 Ca 0.11 -1.92 0.00 0.00 0.70 0.00 0.00 55.95 54.84 2vb5 s SER 57 Cb -0.16 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 2vb5 s SER 57 CO 0.10 -1.44 0.00 0.29 1.20 0.00 0.00 173.24 173.38 2vb5 n LYS 58 N 8.62 0.00 -3.59 5.44 4.76 -1.26 -4.72 118.16 127.41 2vb5 n LYS 58 Ca 0.42 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.70 2vb5 n LYS 58 Cb 0.48 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.61 2vb5 n LYS 58 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2vb5 s ASP 59 N 0.00 -0.69 -1.20 4.39 2.15 -1.26 -5.04 116.67 115.03 2vb5 s ASP 59 Ca 0.00 1.11 -0.18 0.00 0.43 0.00 0.00 52.55 53.90 2vb5 s ASP 59 Cb 0.00 1.04 -0.00 0.00 -0.30 0.00 0.00 42.92 43.66 2vb5 s ASP 59 CO 0.00 -0.39 0.72 0.61 -0.17 0.00 0.00 175.17 175.94 2vb5 n GLY 60 N 1.92 -0.83 2.94 2.66 0.00 -1.26 -4.95 105.19 105.66 2vb5 n GLY 60 Ca -0.16 0.38 0.02 0.00 0.00 0.00 0.00 46.02 46.26 2vb5 n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vb5 s SER 61 N -3.65 -0.78 -0.68 1.61 1.04 -1.26 -4.99 113.70 104.98 2vb5 s SER 61 Ca 0.38 -0.39 -0.25 0.00 0.48 0.00 0.00 55.95 56.17 2vb5 s SER 61 Cb -0.14 1.00 0.04 0.00 0.10 0.00 0.00 66.02 67.02 2vb5 s SER 61 CO 0.87 -0.09 1.14 -0.36 0.98 0.00 0.00 173.24 175.79 2vb5 s PHE 62 N 1.94 2.49 -0.30 5.02 2.99 -1.26 -1.82 117.98 127.04 2vb5 s PHE 62 Ca 0.15 -0.16 -0.09 0.00 0.00 0.00 0.00 56.93 56.83 2vb5 s PHE 62 Cb 0.00 -4.46 -0.02 0.00 0.00 0.00 0.00 43.02 38.55 2vb5 s PHE 62 CO -0.12 -1.83 0.14 1.52 -0.00 0.00 0.00 175.22 174.93 2vb5 s TYR 63 N 4.96 3.16 0.31 0.36 -0.85 -0.06 -1.52 117.35 123.71 2vb5 s TYR 63 Ca 0.31 -0.47 0.09 0.00 -0.52 0.00 0.00 57.07 56.48 2vb5 s TYR 63 Cb -0.11 -2.33 -0.04 0.00 0.38 0.00 0.00 41.96 39.85 2vb5 s TYR 63 CO 0.15 -0.40 0.08 -0.51 -1.52 0.00 0.00 175.55 173.35 2vb5 s LEU 64 N 1.63 3.26 -0.30 -3.49 1.43 -1.12 -3.75 118.68 116.33 2vb5 s LEU 64 Ca 0.05 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 2vb5 s LEU 64 Cb -0.17 -1.75 0.09 0.00 0.03 0.00 0.00 46.19 44.40 2vb5 s LEU 64 CO 0.06 -0.17 0.07 -0.22 0.23 0.00 0.00 176.35 176.32 2vb5 s LEU 65 N -3.77 2.80 -1.20 1.79 2.96 -1.26 -2.60 118.68 117.40 2vb5 s LEU 65 Ca 0.35 -1.68 -0.13 0.00 -0.22 0.00 0.00 54.13 52.46 2vb5 s LEU 65 Cb -0.04 -1.06 0.19 0.00 0.50 0.00 0.00 46.19 45.78 2vb5 s LEU 65 CO 0.22 -0.38 1.41 -1.22 -1.32 0.00 0.00 176.35 175.05 2vb5 n TYR 66 N 4.70 4.91 -3.39 5.38 4.01 -0.66 -3.37 117.16 128.75 2vb5 n TYR 66 Ca -0.02 -3.42 -0.44 0.00 -0.16 0.00 0.00 57.90 53.87 2vb5 n TYR 66 Cb 0.42 -2.09 -0.08 0.00 -0.31 0.00 0.00 39.34 37.28 2vb5 n TYR 66 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 2vb5 s TYR 67 N 1.00 3.22 0.25 -0.72 1.13 -0.70 -3.37 117.35 118.16 2vb5 s TYR 67 Ca 0.41 -0.71 -0.06 0.00 -1.41 0.00 0.00 57.07 55.29 2vb5 s TYR 67 Cb -0.03 -2.96 -0.06 0.00 -1.10 0.00 0.00 41.96 37.80 2vb5 s TYR 67 CO -0.01 -0.73 0.53 -0.08 -2.51 0.00 0.00 175.55 172.75 2vb5 s THR 68 N 1.80 5.01 -1.28 -3.49 -1.32 -1.26 -3.71 115.64 111.39 2vb5 s THR 68 Ca 0.06 0.18 -0.15 0.00 -1.21 0.00 0.00 61.69 60.57 2vb5 s THR 68 Cb -0.21 -3.68 0.11 0.00 -1.51 0.00 0.00 72.50 67.21 2vb5 s THR 68 CO 0.09 -0.20 1.69 1.21 -2.21 0.00 0.00 174.62 175.20 2vb5 n GLU 69 N -0.56 3.27 -2.26 7.08 2.13 -1.26 -1.09 120.64 127.94 2vb5 n GLU 69 Ca -0.01 -3.45 -0.42 0.00 0.66 0.00 0.00 57.16 53.94 2vb5 n GLU 69 Cb 0.53 -3.25 -0.03 0.00 0.27 0.00 0.00 31.44 28.96 2vb5 n GLU 69 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 2vb5 s PHE 70 N 2.74 3.15 -0.64 4.31 -0.12 0.20 -4.75 117.98 122.85 2vb5 s PHE 70 Ca 0.48 0.99 -0.14 0.00 -0.05 0.00 0.00 56.93 58.21 2vb5 s PHE 70 Cb 0.03 -3.61 0.16 0.00 -0.63 0.00 0.00 43.02 38.98 2vb5 s PHE 70 CO 0.03 -2.12 0.58 0.99 -0.05 0.00 0.00 175.22 174.65 2vb5 s THR 71 N 1.60 5.20 0.58 -4.49 2.01 -1.26 -1.66 115.64 117.62 2vb5 s THR 71 Ca 0.63 -1.95 -0.19 0.00 0.31 0.00 0.00 61.69 60.48 2vb5 s THR 71 Cb -0.33 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 67.85 2vb5 s THR 71 CO 0.28 -0.92 1.22 -2.16 -0.69 0.00 0.00 174.62 172.36 2vb5 s PRO 72 N 0.97 3.01 0.00 4.92 0.04 -1.26 -4.93 135.00 137.76 2vb5 s PRO 72 Ca 0.09 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2vb5 s PRO 72 Cb -0.22 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2vb5 s PRO 72 CO -0.02 -1.19 0.00 2.41 0.04 0.00 0.00 177.00 178.24 2vb5 n THR 73 N -1.49 0.00 0.06 1.26 -1.04 -1.26 -3.81 114.28 108.00 2vb5 n THR 73 Ca 0.13 0.49 0.00 0.00 -2.04 0.00 0.00 64.05 62.63 2vb5 n THR 73 Cb 0.49 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.51 2vb5 n THR 73 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2vb5 n GLU 74 N -2.41 0.00 -1.56 -2.82 0.00 -1.26 -3.99 120.64 108.60 2vb5 n GLU 74 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.85 2vb5 n GLU 74 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 31.44 31.44 2vb5 n GLU 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2vb5 n LYS 75 N -2.56 2.48 -2.58 5.31 4.81 -1.26 -4.97 118.16 119.39 2vb5 n LYS 75 Ca 0.00 -2.75 -0.22 0.00 -0.87 0.00 0.00 58.31 54.47 2vb5 n LYS 75 Cb 0.00 -2.14 0.06 0.00 0.02 0.00 0.00 35.03 32.96 2vb5 n LYS 75 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2vb5 s ASP 76 N -0.35 5.00 -0.41 3.14 1.47 -1.26 -5.11 116.67 119.15 2vb5 s ASP 76 Ca 0.54 -0.06 0.08 0.00 1.18 0.00 0.00 52.55 54.29 2vb5 s ASP 76 Cb 0.40 -0.68 0.18 0.00 -0.34 0.00 0.00 42.92 42.48 2vb5 s ASP 76 CO -0.25 -1.37 0.61 -1.83 0.68 0.00 0.00 175.17 173.01 2vb5 s GLU 77 N -4.91 0.81 0.38 2.11 1.03 -1.26 -5.03 118.70 111.83 2vb5 s GLU 77 Ca 0.60 -0.32 -0.12 0.00 0.03 0.00 0.00 54.97 55.16 2vb5 s GLU 77 Cb -0.09 0.03 -0.07 0.00 -0.80 0.00 0.00 34.13 33.19 2vb5 s GLU 77 CO 0.40 -1.19 0.77 0.71 -1.33 0.00 0.00 175.26 174.62 2vb5 s TYR 78 N 1.81 3.43 -0.18 4.83 1.51 -1.26 -3.82 117.35 123.67 2vb5 s TYR 78 Ca 0.16 1.12 -0.26 0.00 -1.01 0.00 0.00 57.07 57.09 2vb5 s TYR 78 Cb -0.05 -2.49 0.07 0.00 -0.11 0.00 0.00 41.96 39.38 2vb5 s TYR 78 CO -0.07 -0.05 0.67 0.00 -1.11 0.00 0.00 175.55 175.00 2vb5 s ALA 79 N -2.25 -1.69 -0.22 3.71 0.00 -1.24 -3.87 121.76 116.20 2vb5 s ALA 79 Ca 0.53 1.68 -0.15 0.00 0.00 0.00 0.00 51.96 54.01 2vb5 s ALA 79 Cb -0.10 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 2vb5 s ALA 79 CO 0.26 -0.34 0.37 0.00 0.00 0.00 0.00 175.76 176.06 2vb5 s ARG 81 N 1.43 3.76 -0.76 0.00 3.52 -1.26 -1.03 118.95 124.61 2vb5 s ARG 81 Ca 0.17 -2.42 -0.19 0.00 -0.13 0.00 0.00 55.73 53.17 2vb5 s ARG 81 Cb -0.15 -4.66 0.13 0.00 -1.56 0.00 0.00 34.95 28.71 2vb5 s ARG 81 CO 0.08 -1.47 0.90 0.08 -0.81 0.00 0.00 175.30 174.08 2vb5 s VAL 82 N 0.77 4.85 -0.18 7.11 1.01 -0.45 -2.56 120.40 130.95 2vb5 s VAL 82 Ca 0.27 -1.36 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 2vb5 s VAL 82 Cb -0.08 -4.62 -0.02 0.00 0.00 0.00 0.00 36.38 31.66 2vb5 s VAL 82 CO -0.08 -1.30 -0.03 0.20 0.00 0.00 0.00 175.10 173.90 2vb5 s ASN 83 N 3.40 4.72 0.07 3.32 -0.87 -1.12 -2.62 114.94 121.85 2vb5 s ASN 83 Ca 0.22 -0.19 -0.15 0.00 -1.57 0.00 0.00 52.86 51.17 2vb5 s ASN 83 Cb -0.14 -1.79 0.02 0.00 -0.02 0.00 0.00 41.25 39.33 2vb5 s ASN 83 CO -0.01 0.11 0.34 -2.28 -2.57 0.00 0.00 177.10 172.69 2vb5 s HIS 84 N 0.70 -0.13 0.40 2.20 2.46 -1.26 -1.11 115.29 118.55 2vb5 s HIS 84 Ca -0.02 -0.08 0.12 0.00 0.47 0.00 0.00 55.06 55.56 2vb5 s HIS 84 Cb -0.14 0.15 0.82 0.00 -0.13 0.00 0.00 32.58 33.27 2vb5 s HIS 84 CO 0.02 -0.58 1.90 -0.39 -2.47 0.00 0.00 174.74 173.22 2vb5 h VAL 85 N 2.85 1.20 -0.07 0.89 -1.51 -1.94 -1.85 116.25 115.82 2vb5 h VAL 85 Ca -0.33 -0.95 -0.08 0.00 -1.23 0.00 0.00 66.70 64.11 2vb5 h VAL 85 Cb 1.22 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 2vb5 h VAL 85 CO 0.47 0.28 -0.33 0.71 -1.23 0.00 0.00 177.57 177.47 2vb5 h THR 86 N 0.06 1.26 -4.22 7.19 1.35 -1.93 -3.43 112.91 113.19 2vb5 h THR 86 Ca 0.01 -1.26 -0.36 0.00 -0.55 0.00 0.00 66.41 64.25 2vb5 h THR 86 Cb 0.48 1.58 0.11 0.00 -1.73 0.00 0.00 68.15 68.59 2vb5 h THR 86 CO 0.03 0.37 0.23 0.18 -0.25 0.00 0.00 175.52 176.09 2vb5 n LEU 87 N -4.11 0.00 0.01 3.87 4.77 -0.70 -5.06 117.00 115.79 2vb5 n LEU 87 Ca -0.01 -1.42 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 2vb5 n LEU 87 Cb 0.40 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2vb5 n LEU 87 CO 0.40 -1.11 -0.07 -1.20 -1.33 0.00 0.00 177.39 174.08 2vb5 n SER 88 N -3.36 0.00 -4.78 -1.43 7.64 -1.26 -4.81 113.62 105.63 2vb5 n SER 88 Ca 0.14 0.05 -0.37 0.00 1.01 0.00 0.00 58.87 59.70 2vb5 n SER 88 Cb 0.48 0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.66 2vb5 n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2vb5 s GLN 89 N -2.00 4.39 -0.08 1.43 0.00 -1.26 -5.00 119.66 117.15 2vb5 s GLN 89 Ca 0.00 1.42 -0.30 0.00 -0.00 0.00 0.00 55.36 56.48 2vb5 s GLN 89 Cb 0.00 -2.68 -0.04 0.00 0.00 0.00 0.00 33.01 30.29 2vb5 s GLN 89 CO 0.00 0.08 1.43 -1.25 0.00 0.00 0.00 175.29 175.55 2vb5 s PRO 90 N -2.27 4.23 -0.60 9.60 0.04 -1.26 -4.85 135.00 139.89 2vb5 s PRO 90 Ca 0.54 1.92 -0.21 0.00 0.04 0.00 0.00 61.00 63.28 2vb5 s PRO 90 Cb -0.20 -3.79 0.07 0.00 0.04 0.00 0.00 34.50 30.62 2vb5 s PRO 90 CO 0.26 -0.71 0.85 0.21 0.04 0.00 0.00 177.00 177.64 2vb5 s LYS 91 N 3.36 3.14 -1.02 4.56 2.20 -1.08 -4.92 119.74 125.98 2vb5 s LYS 91 Ca 0.64 -0.84 -0.22 0.00 -0.36 0.00 0.00 55.97 55.19 2vb5 s LYS 91 Cb -0.28 -4.18 0.07 0.00 -1.51 0.00 0.00 37.83 31.93 2vb5 s LYS 91 CO 0.23 -1.60 1.40 0.42 -0.36 0.00 0.00 175.35 175.44 2vb5 s ILE 92 N 3.51 4.12 -0.11 5.43 -1.09 -1.26 -1.34 121.20 130.47 2vb5 s ILE 92 Ca 0.20 -1.05 -0.30 0.00 -2.23 0.00 0.00 60.65 57.28 2vb5 s ILE 92 Cb -0.18 -5.01 -0.02 0.00 -1.58 0.00 0.00 42.46 35.67 2vb5 s ILE 92 CO 0.11 -1.85 1.13 -0.69 -1.23 0.00 0.00 174.94 172.41 2vb5 s VAL 93 N 4.38 4.47 -0.59 2.92 1.01 -0.20 -4.89 120.40 127.50 2vb5 s VAL 93 Ca 0.44 1.77 -0.28 0.00 0.00 0.00 0.00 61.98 63.91 2vb5 s VAL 93 Cb -0.01 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.26 2vb5 s VAL 93 CO -0.08 -0.04 1.20 -0.54 0.00 0.00 0.00 175.10 175.64 2vb5 s LYS 94 N 2.45 3.48 -0.49 2.72 1.02 -1.26 -2.02 119.74 125.64 2vb5 s LYS 94 Ca 0.52 0.20 -0.39 0.00 0.02 0.00 0.00 55.97 56.32 2vb5 s LYS 94 Cb -0.21 -4.03 -0.17 0.00 -0.52 0.00 0.00 37.83 32.89 2vb5 s LYS 94 CO 0.18 -1.72 1.98 1.87 -0.92 0.00 0.00 175.35 176.73 2vb5 n TRP 95 N 8.52 1.00 -1.96 3.18 -0.00 -1.25 -4.84 117.44 122.09 2vb5 n TRP 95 Ca 0.08 0.66 -0.39 0.00 -0.00 0.00 0.00 57.50 57.86 2vb5 n TRP 95 Cb 0.49 -2.08 -0.03 0.00 -0.00 0.00 0.00 31.31 29.69 2vb5 n TRP 95 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 177.69 177.85 2vb5 s ASP 96 N 5.67 5.24 -0.26 5.87 -4.77 -0.33 -4.84 116.67 123.26 2vb5 s ASP 96 Ca 1.10 0.61 0.09 0.00 -3.30 0.00 0.00 52.55 51.04 2vb5 s ASP 96 Cb -1.34 -2.52 0.65 0.00 -1.09 0.00 0.00 42.92 38.62 2vb5 s ASP 96 CO 0.58 -2.35 1.62 -2.11 0.70 0.00 0.00 175.17 173.62 2vb5 n ARG 97 N 9.04 3.57 -0.29 2.11 -4.01 -1.26 -4.08 116.66 121.74 2vb5 n ARG 97 Ca 0.23 -2.61 0.03 0.00 -1.04 0.00 0.00 57.85 54.46 2vb5 n ARG 97 Cb 0.52 -2.10 0.08 0.00 -3.04 0.00 0.00 32.46 27.92 2vb5 n ARG 97 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 2vb5 n ASP 98 N 0.07 -0.36 0.00 2.89 8.00 -1.26 -4.89 116.55 121.00 2vb5 n ASP 98 Ca 0.32 1.35 0.00 0.00 0.71 0.00 0.00 54.79 57.17 2vb5 n ASP 98 Cb 1.19 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 2vb5 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04