#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 4.51 -1.31 1.12 2.07 -1.26 -4.96 121.20 121.38 2vb5 s ILE 1 Ca 0.00 -0.44 -0.07 0.00 -1.41 0.00 0.00 60.65 58.73 2vb5 s ILE 1 Cb 0.00 -4.58 0.14 0.00 0.13 0.00 0.00 42.46 38.16 2vb5 s ILE 1 CO 0.00 -1.26 2.14 1.67 -1.91 0.00 0.00 174.94 175.58 2vb5 n GLN 2 N 7.18 4.10 -1.68 3.50 -0.06 -1.26 -4.87 117.38 124.29 2vb5 n GLN 2 Ca -0.05 -3.48 -0.43 0.00 -2.00 0.00 0.00 57.00 51.04 2vb5 n GLN 2 Cb 0.45 -2.78 -0.01 0.00 -4.06 0.00 0.00 30.24 23.84 2vb5 n GLN 2 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2vb5 n ARG 3 N 2.81 2.02 -3.70 3.69 1.74 -1.23 -4.76 116.66 117.23 2vb5 n ARG 3 Ca 0.51 0.71 -0.29 0.00 -0.77 0.00 0.00 57.85 58.01 2vb5 n ARG 3 Cb 0.30 -2.29 -0.04 0.00 -1.02 0.00 0.00 32.46 29.42 2vb5 n ARG 3 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2vb5 s THR 4 N -0.82 5.20 0.03 0.55 -4.23 -1.20 -0.76 115.64 114.42 2vb5 s THR 4 Ca 0.59 -0.22 -0.30 0.00 -1.18 0.00 0.00 61.69 60.58 2vb5 s THR 4 Cb -0.60 -3.69 -0.08 0.00 1.34 0.00 0.00 72.50 69.47 2vb5 s THR 4 CO 0.59 -0.08 1.81 -2.16 -0.54 0.00 0.00 174.62 174.23 2vb5 s PRO 5 N -3.04 4.16 -0.55 3.99 0.04 -1.26 -4.24 135.00 134.10 2vb5 s PRO 5 Ca 0.39 2.45 -0.22 0.00 0.04 0.00 0.00 61.00 63.66 2vb5 s PRO 5 Cb -0.12 -3.92 0.06 0.00 0.04 0.00 0.00 34.50 30.56 2vb5 s PRO 5 CO 0.27 -0.87 0.80 0.21 0.04 0.00 0.00 177.00 177.46 2vb5 s LYS 6 N 3.74 3.19 0.01 4.56 2.47 -0.23 -4.86 119.74 128.61 2vb5 s LYS 6 Ca 0.81 -0.68 -0.30 0.00 -1.56 0.00 0.00 55.97 54.24 2vb5 s LYS 6 Cb -0.40 -4.11 -0.06 0.00 -1.46 0.00 0.00 37.83 31.80 2vb5 s LYS 6 CO 0.36 -1.43 1.41 0.96 0.16 0.00 0.00 175.35 176.80 2vb5 s ILE 7 N 3.35 3.68 -0.43 5.43 -4.36 -1.26 -2.87 121.20 124.74 2vb5 s ILE 7 Ca 0.22 1.08 0.05 0.00 -0.26 0.00 0.00 60.65 61.73 2vb5 s ILE 7 Cb -0.17 -3.69 0.18 0.00 1.25 0.00 0.00 42.46 40.03 2vb5 s ILE 7 CO 0.14 0.00 0.41 0.00 0.24 0.00 0.00 174.94 175.73 2vb5 n GLN 8 N 5.32 0.25 -3.32 0.37 6.02 -0.83 -5.03 117.38 120.17 2vb5 n GLN 8 Ca 0.13 -2.99 -0.47 0.00 -0.01 0.00 0.00 57.00 53.66 2vb5 n GLN 8 Cb 0.44 -1.62 -0.03 0.00 1.02 0.00 0.00 30.24 30.04 2vb5 n GLN 8 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2vb5 s VAL 9 N 0.15 5.53 0.19 5.09 1.01 -1.26 -2.69 120.40 128.42 2vb5 s VAL 9 Ca 0.33 -2.28 0.07 0.00 0.00 0.00 0.00 61.98 60.09 2vb5 s VAL 9 Cb 0.04 -4.45 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 2vb5 s VAL 9 CO -0.17 -1.01 0.05 -0.72 0.00 0.00 0.00 175.10 173.24 2vb5 s TYR 10 N 0.47 2.92 -0.28 5.22 -0.85 -1.16 -4.11 117.35 119.56 2vb5 s TYR 10 Ca 0.16 -0.12 -0.23 0.00 -0.52 0.00 0.00 57.07 56.36 2vb5 s TYR 10 Cb -0.13 -1.39 -0.00 0.00 0.38 0.00 0.00 41.96 40.81 2vb5 s TYR 10 CO -0.07 0.53 0.76 -1.54 -1.52 0.00 0.00 175.55 173.72 2vb5 s SER 11 N -3.13 6.69 0.06 -0.18 1.04 -1.26 -0.69 113.70 116.23 2vb5 s SER 11 Ca 0.29 0.76 -0.33 0.00 0.48 0.00 0.00 55.95 57.15 2vb5 s SER 11 Cb -0.09 -2.40 -0.19 0.00 0.10 0.00 0.00 66.02 63.44 2vb5 s SER 11 CO 0.20 -0.54 1.57 -0.09 0.98 0.00 0.00 173.24 175.37 2vb5 h ARG 12 N 7.96 -0.94 -7.29 4.02 9.65 -1.54 -3.42 114.38 122.81 2vb5 h ARG 12 Ca -0.24 0.06 -0.51 0.00 -1.10 0.00 0.00 59.98 58.19 2vb5 h ARG 12 Cb 1.10 0.21 0.09 0.00 -1.39 0.00 0.00 29.97 29.98 2vb5 h ARG 12 CO 0.86 -0.62 0.37 -1.01 2.80 0.00 0.00 179.97 182.36 2vb5 s HIS 13 N -5.92 3.04 0.56 2.20 3.76 -1.26 -5.03 115.29 112.63 2vb5 s HIS 13 Ca -0.18 1.46 -0.19 0.00 -0.15 0.00 0.00 55.06 56.00 2vb5 s HIS 13 Cb 0.03 -2.93 -0.05 0.00 1.11 0.00 0.00 32.58 30.74 2vb5 s HIS 13 CO 0.60 -1.24 1.14 -1.25 -0.85 0.00 0.00 174.74 173.14 2vb5 s PRO 14 N -4.73 3.27 -1.24 8.40 0.04 -1.26 -4.87 135.00 134.61 2vb5 s PRO 14 Ca 0.60 1.62 -0.19 0.00 0.04 0.00 0.00 61.00 63.07 2vb5 s PRO 14 Cb -0.15 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.40 2vb5 s PRO 14 CO 0.49 -0.92 1.91 0.00 0.04 0.00 0.00 177.00 178.52 2vb5 n ALA 15 N -1.42 3.51 -2.66 8.56 0.00 -1.26 -4.94 120.51 122.31 2vb5 n ALA 15 Ca 0.12 -3.59 -0.42 0.00 0.00 0.00 0.00 53.44 49.55 2vb5 n ALA 15 Cb 0.51 -3.57 -0.03 0.00 0.00 0.00 0.00 19.45 16.36 2vb5 n ALA 15 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2vb5 s GLU 16 N 4.66 4.26 0.20 0.00 0.41 -1.26 -5.02 118.70 121.95 2vb5 s GLU 16 Ca 0.56 1.20 -0.30 0.00 -0.41 0.00 0.00 54.97 56.02 2vb5 s GLU 16 Cb 0.06 -3.63 -0.09 0.00 -1.78 0.00 0.00 34.13 28.70 2vb5 s GLU 16 CO 0.06 -0.53 1.32 1.21 -0.49 0.00 0.00 175.26 176.83 2vb5 s ASN 17 N 1.23 6.87 -1.26 -0.19 2.47 -1.26 -2.93 114.94 119.86 2vb5 s ASN 17 Ca 0.41 2.43 -0.06 0.00 0.42 0.00 0.00 52.86 56.06 2vb5 s ASN 17 Cb -0.16 -2.61 0.01 0.00 -1.45 0.00 0.00 41.25 37.04 2vb5 s ASN 17 CO 0.08 -0.55 0.81 0.61 -3.72 0.00 0.00 177.10 174.33 2vb5 n GLY 18 N 2.35 -0.36 3.64 1.21 0.00 0.30 -5.01 105.19 107.33 2vb5 n GLY 18 Ca 0.06 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 2vb5 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2vb5 s LYS 19 N -5.87 0.73 0.83 1.61 2.20 -1.15 -5.03 119.74 113.06 2vb5 s LYS 19 Ca 0.40 1.16 -0.11 0.00 -0.36 0.00 0.00 55.97 57.06 2vb5 s LYS 19 Cb -0.18 0.21 0.09 0.00 -1.51 0.00 0.00 37.83 36.44 2vb5 s LYS 19 CO 0.49 -0.14 1.13 0.45 -0.36 0.00 0.00 175.35 176.93 2vb5 s SER 20 N 1.32 3.74 -0.25 1.43 0.15 -1.26 -4.39 113.70 114.44 2vb5 s SER 20 Ca -0.07 2.06 -0.25 0.00 0.70 0.00 0.00 55.95 58.38 2vb5 s SER 20 Cb -0.05 -2.55 0.07 0.00 -1.71 0.00 0.00 66.02 61.78 2vb5 s SER 20 CO -0.15 -2.55 0.73 0.21 1.20 0.00 0.00 173.24 172.68 2vb5 s ASN 21 N -2.88 -0.73 -0.26 5.45 3.84 -0.28 -4.89 114.94 115.19 2vb5 s ASN 21 Ca 0.65 1.38 -0.19 0.00 0.21 0.00 0.00 52.86 54.91 2vb5 s ASN 21 Cb -0.21 1.38 -0.02 0.00 -0.55 0.00 0.00 41.25 41.85 2vb5 s ASN 21 CO 0.55 -0.27 0.59 -0.36 -2.79 0.00 0.00 177.10 174.82 2vb5 s PHE 22 N 0.26 3.28 0.30 0.43 0.40 -1.26 -0.60 117.98 120.80 2vb5 s PHE 22 Ca -0.01 0.75 -0.28 0.00 -0.60 0.00 0.00 56.93 56.79 2vb5 s PHE 22 Cb -0.05 -2.80 -0.09 0.00 0.51 0.00 0.00 43.02 40.59 2vb5 s PHE 22 CO 0.01 -0.31 1.09 -1.17 0.70 0.00 0.00 175.22 175.55 2vb5 s LEU 23 N 2.42 4.47 -0.53 -0.37 2.96 -0.43 -1.31 118.68 125.89 2vb5 s LEU 23 Ca 0.24 2.23 0.04 0.00 -0.22 0.00 0.00 54.13 56.42 2vb5 s LEU 23 Cb -0.16 -3.73 0.16 0.00 0.50 0.00 0.00 46.19 42.96 2vb5 s LEU 23 CO 0.09 -0.22 0.35 0.20 -1.32 0.00 0.00 176.35 175.46 2vb5 s ASN 24 N -1.01 3.58 -1.04 3.68 -0.87 0.13 -3.07 114.94 116.34 2vb5 s ASN 24 Ca 0.47 -3.19 -0.20 0.00 -1.57 0.00 0.00 52.86 48.37 2vb5 s ASN 24 Cb -0.30 -1.14 0.09 0.00 -0.02 0.00 0.00 41.25 39.87 2vb5 s ASN 24 CO 0.39 -0.18 1.37 0.00 -2.57 0.00 0.00 177.10 176.11 2vb5 s TYR 26 N 3.80 3.15 -0.49 0.00 5.04 -1.09 -2.14 117.35 125.61 2vb5 s TYR 26 Ca 0.42 -0.25 0.03 0.00 -2.44 0.00 0.00 57.07 54.83 2vb5 s TYR 26 Cb -0.01 -2.99 0.43 0.00 0.35 0.00 0.00 41.96 39.74 2vb5 s TYR 26 CO -0.07 -0.72 1.49 1.33 -1.34 0.00 0.00 175.55 176.25 2vb5 n VAL 27 N 5.52 2.91 -1.84 3.14 0.24 -0.93 -1.96 118.33 125.41 2vb5 n VAL 27 Ca -0.06 -4.10 -0.41 0.00 -2.04 0.00 0.00 64.34 57.73 2vb5 n VAL 27 Cb 0.48 -1.19 -0.01 0.00 -1.47 0.00 0.00 33.84 31.65 2vb5 n VAL 27 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2vb5 s SER 28 N -2.81 6.42 0.00 -1.34 1.04 -1.14 -3.57 113.70 112.31 2vb5 s SER 28 Ca 0.54 2.94 0.00 0.00 0.48 0.00 0.00 55.95 59.91 2vb5 s SER 28 Cb 0.44 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.91 2vb5 s SER 28 CO -0.09 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 173.89 2vb5 n GLY 29 N 1.39 0.68 3.32 7.32 0.00 -0.34 -1.07 105.19 116.49 2vb5 n GLY 29 Ca 0.05 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.89 3.30 -0.23 1.61 -0.12 -1.25 -3.20 117.98 116.20 2vb5 s PHE 30 Ca 0.00 -1.26 -0.05 0.00 -0.05 0.00 0.00 56.93 55.57 2vb5 s PHE 30 Cb 0.00 -2.96 -0.02 0.00 -0.63 0.00 0.00 43.02 39.42 2vb5 s PHE 30 CO 0.00 -0.80 0.01 -1.01 -0.05 0.00 0.00 175.22 173.36 2vb5 s HIS 31 N 1.51 3.02 0.95 3.49 3.76 0.06 -3.52 115.29 124.56 2vb5 s HIS 31 Ca 0.03 -0.67 -0.15 0.00 -0.15 0.00 0.00 55.06 54.12 2vb5 s HIS 31 Cb -0.23 -2.15 0.18 0.00 1.11 0.00 0.00 32.58 31.48 2vb5 s HIS 31 CO 0.04 -0.43 1.26 -1.25 -0.85 0.00 0.00 174.74 173.51 2vb5 s PRO 32 N 1.47 0.79 0.00 8.40 0.04 -1.26 -3.50 135.00 140.93 2vb5 s PRO 32 Ca 0.05 -0.21 0.15 0.00 0.04 0.00 0.00 61.00 61.03 2vb5 s PRO 32 Cb -0.15 -1.84 0.77 0.00 0.04 0.00 0.00 34.50 33.32 2vb5 s PRO 32 CO 0.00 -2.35 1.37 -1.13 0.04 0.00 0.00 177.00 174.94 2vb5 n SER 33 N -3.77 0.00 -3.55 6.66 3.41 -1.23 -4.38 113.62 110.76 2vb5 n SER 33 Ca 0.13 -0.07 -0.41 0.00 -0.26 0.00 0.00 58.87 58.26 2vb5 n SER 33 Cb 0.60 -0.21 -0.01 0.00 -0.26 0.00 0.00 64.21 64.33 2vb5 n SER 33 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2vb5 n ASP 34 N -1.21 6.25 -4.88 4.04 8.00 -1.26 -4.94 116.55 122.55 2vb5 n ASP 34 Ca 0.08 -2.78 -0.33 0.00 0.71 0.00 0.00 54.79 52.47 2vb5 n ASP 34 Cb 0.10 -1.58 -0.05 0.00 -0.02 0.00 0.00 41.12 39.56 2vb5 n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2vb5 s ILE 35 N 2.24 5.14 -0.65 0.53 2.07 -1.26 -4.12 121.20 125.15 2vb5 s ILE 35 Ca 0.56 0.25 0.05 0.00 -1.41 0.00 0.00 60.65 60.10 2vb5 s ILE 35 Cb 0.16 -3.63 0.20 0.00 0.13 0.00 0.00 42.46 39.32 2vb5 s ILE 35 CO -0.07 0.18 0.57 -0.62 -1.91 0.00 0.00 174.94 173.09 2vb5 n GLU 36 N 0.56 1.89 -2.77 3.50 -0.58 -0.32 -4.98 120.64 117.94 2vb5 n GLU 36 Ca -0.06 -4.39 -0.43 0.00 -0.42 0.00 0.00 57.16 51.86 2vb5 n GLU 36 Cb 0.52 -2.18 -0.03 0.00 -0.57 0.00 0.00 31.44 29.18 2vb5 n GLU 36 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2vb5 s VAL 37 N -1.68 4.39 -0.97 2.62 1.01 -1.26 -1.78 120.40 122.72 2vb5 s VAL 37 Ca 0.31 -1.22 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 2vb5 s VAL 37 Cb 0.04 -4.89 0.26 0.00 0.00 0.00 0.00 36.38 31.78 2vb5 s VAL 37 CO -0.12 -1.69 2.10 -0.67 0.00 0.00 0.00 175.10 174.73 2vb5 n ASP 38 N 7.53 7.44 -4.75 3.32 -0.08 -0.64 -4.94 116.55 124.44 2vb5 n ASP 38 Ca 0.27 -3.56 -0.36 0.00 -1.51 0.00 0.00 54.79 49.63 2vb5 n ASP 38 Cb 0.50 -1.19 0.04 0.00 2.34 0.00 0.00 41.12 42.81 2vb5 n ASP 38 CO 0.00 0.00 0.00 -1.48 0.12 0.00 0.00 177.20 175.84 2vb5 s LEU 39 N -3.58 3.61 0.21 -2.67 2.34 -1.26 -4.29 118.68 113.04 2vb5 s LEU 39 Ca 0.48 2.39 0.04 0.00 0.06 0.00 0.00 54.13 57.10 2vb5 s LEU 39 Cb 0.27 -4.60 -0.05 0.00 -0.56 0.00 0.00 46.19 41.26 2vb5 s LEU 39 CO -0.21 -1.70 -0.04 -0.76 -1.06 0.00 0.00 176.35 172.58 2vb5 s LEU 40 N -4.23 2.31 -0.22 1.48 1.43 -0.58 -2.83 118.68 116.04 2vb5 s LEU 40 Ca 0.77 -1.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 2vb5 s LEU 40 Cb -0.31 -0.34 0.07 0.00 0.03 0.00 0.00 46.19 45.64 2vb5 s LEU 40 CO 0.35 -0.44 0.03 -1.59 0.23 0.00 0.00 176.35 174.93 2vb5 s LYS 41 N -3.81 0.84 -1.44 1.70 -2.85 -0.19 -3.28 119.74 110.70 2vb5 s LYS 41 Ca 0.25 -0.61 -0.11 0.00 -1.00 0.00 0.00 55.97 54.50 2vb5 s LYS 41 Cb 0.04 -2.18 0.05 0.00 -2.06 0.00 0.00 37.83 33.68 2vb5 s LYS 41 CO 0.07 -0.68 1.09 0.09 0.10 0.00 0.00 175.35 176.03 2vb5 n ASN 42 N 4.96 -5.65 0.00 0.03 3.02 -0.91 -1.23 115.26 115.47 2vb5 n ASN 42 Ca -0.09 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 2vb5 n ASN 42 Cb 0.46 -4.50 0.00 0.00 -0.61 0.00 0.00 39.78 35.13 2vb5 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vb5 n GLY 43 N -1.86 2.87 3.74 7.41 0.00 -1.26 -5.02 105.19 111.06 2vb5 n GLY 43 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.14 4.50 0.34 1.61 2.02 -0.37 -4.97 118.70 121.70 2vb5 s GLU 44 Ca 0.00 1.86 -0.29 0.00 0.02 0.00 0.00 54.97 56.56 2vb5 s GLU 44 Cb 0.00 -3.25 -0.10 0.00 0.10 0.00 0.00 34.13 30.88 2vb5 s GLU 44 CO 0.00 -0.08 1.36 -0.98 0.02 0.00 0.00 175.26 175.59 2vb5 s ARG 45 N -0.21 4.28 -0.16 1.61 1.70 -1.26 -1.02 118.95 123.88 2vb5 s ARG 45 Ca 0.53 2.33 -0.29 0.00 -0.47 0.00 0.00 55.73 57.82 2vb5 s ARG 45 Cb -0.32 -3.04 -0.01 0.00 -0.57 0.00 0.00 34.95 31.01 2vb5 s ARG 45 CO 0.36 -0.30 1.12 0.42 -1.08 0.00 0.00 175.30 175.82 2vb5 s ILE 46 N -1.10 4.52 -0.10 4.99 -1.09 -1.13 -4.86 121.20 122.43 2vb5 s ILE 46 Ca 0.50 1.83 -0.17 0.00 -2.23 0.00 0.00 60.65 60.59 2vb5 s ILE 46 Cb -0.42 -4.18 -0.27 0.00 -1.58 0.00 0.00 42.46 36.01 2vb5 s ILE 46 CO 0.56 -0.10 0.58 -0.33 -1.23 0.00 0.00 174.94 174.41 2vb5 h GLU 47 N 7.59 0.24 -3.51 2.79 5.08 -1.93 -3.40 114.58 121.43 2vb5 h GLU 47 Ca -0.26 -0.40 -0.73 0.00 -1.00 0.00 0.00 59.36 56.97 2vb5 h GLU 47 Cb 1.10 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 30.41 2vb5 h GLU 47 CO 0.94 1.19 2.58 1.63 -1.00 0.00 0.00 179.01 184.35 2vb5 n LYS 48 N -3.96 3.50 -2.66 2.33 4.01 -1.26 -4.93 118.16 115.18 2vb5 n LYS 48 Ca -0.24 -3.12 -0.43 0.00 -0.51 0.00 0.00 58.31 54.01 2vb5 n LYS 48 Cb 0.88 -2.99 -0.03 0.00 -0.51 0.00 0.00 35.03 32.38 2vb5 n LYS 48 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2vb5 s VAL 49 N 1.23 4.30 -0.15 -0.18 1.01 -1.26 -4.69 120.40 120.65 2vb5 s VAL 49 Ca 0.46 1.14 -0.07 0.00 0.00 0.00 0.00 61.98 63.52 2vb5 s VAL 49 Cb 0.13 -4.55 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2vb5 s VAL 49 CO -0.04 -0.93 0.08 -1.61 0.00 0.00 0.00 175.10 172.60 2vb5 s GLU 50 N 4.22 3.70 -0.05 2.72 0.41 -1.26 -5.02 118.70 123.41 2vb5 s GLU 50 Ca 0.45 -0.28 -0.29 0.00 -0.41 0.00 0.00 54.97 54.44 2vb5 s GLU 50 Cb -0.08 -3.16 0.06 0.00 -1.78 0.00 0.00 34.13 29.17 2vb5 s GLU 50 CO 0.29 0.49 0.64 -3.38 -0.49 0.00 0.00 175.26 172.80 2vb5 s HIS 51 N -0.22 -0.61 0.53 1.61 -3.43 -1.26 -0.38 115.29 111.54 2vb5 s HIS 51 Ca 0.09 1.05 -0.14 0.00 -0.80 0.00 0.00 55.06 55.26 2vb5 s HIS 51 Cb -0.12 0.37 -0.06 0.00 -1.43 0.00 0.00 32.58 31.33 2vb5 s HIS 51 CO 0.01 -0.57 0.97 0.45 -2.00 0.00 0.00 174.74 173.60 2vb5 s SER 52 N -1.15 6.49 0.52 7.38 0.15 -1.07 -5.02 113.70 120.98 2vb5 s SER 52 Ca -0.11 1.46 -0.21 0.00 0.70 0.00 0.00 55.95 57.80 2vb5 s SER 52 Cb -0.01 -2.47 -0.06 0.00 -1.71 0.00 0.00 66.02 61.77 2vb5 s SER 52 CO 0.09 -0.65 1.17 1.51 1.20 0.00 0.00 173.24 176.56 2vb5 s ASP 53 N -3.44 5.80 -1.11 5.45 3.84 -1.26 -4.77 116.67 121.17 2vb5 s ASP 53 Ca 0.57 2.30 -0.22 0.00 -0.00 0.00 0.00 52.55 55.20 2vb5 s ASP 53 Cb -0.10 -2.60 0.01 0.00 -1.38 0.00 0.00 42.92 38.85 2vb5 s ASP 53 CO 0.38 -1.17 1.73 -0.22 -0.00 0.00 0.00 175.17 175.89 2vb5 s LEU 54 N -3.51 3.45 0.13 2.11 2.96 -1.26 -4.90 118.68 117.66 2vb5 s LEU 54 Ca 0.70 -1.64 0.02 0.00 -0.22 0.00 0.00 54.13 52.99 2vb5 s LEU 54 Cb -0.28 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 2vb5 s LEU 54 CO 0.32 -1.97 0.25 -0.44 -1.32 0.00 0.00 176.35 173.19 2vb5 s SER 55 N 5.66 6.25 -0.11 3.68 0.01 -1.26 -5.03 113.70 122.90 2vb5 s SER 55 Ca 0.58 0.16 -0.18 0.00 1.31 0.00 0.00 55.95 57.82 2vb5 s SER 55 Cb -0.00 -1.87 -0.04 0.00 0.21 0.00 0.00 66.02 64.31 2vb5 s SER 55 CO 0.02 0.08 0.47 -0.36 0.41 0.00 0.00 173.24 173.87 2vb5 s PHE 56 N -1.68 3.52 0.13 2.43 0.08 -1.26 -2.93 117.98 118.27 2vb5 s PHE 56 Ca 0.34 0.89 -0.16 0.00 0.12 0.00 0.00 56.93 58.13 2vb5 s PHE 56 Cb -0.11 -2.54 -0.01 0.00 -0.57 0.00 0.00 43.02 39.78 2vb5 s PHE 56 CO 0.28 0.18 1.62 0.77 -0.10 0.00 0.00 175.22 177.98 2vb5 h SER 57 N 6.65 0.60 0.00 1.36 0.02 -1.50 -3.43 113.55 117.25 2vb5 h SER 57 Ca -0.41 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 2vb5 h SER 57 Cb 1.18 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2vb5 h SER 57 CO 0.75 0.68 -0.01 2.29 -1.14 0.00 0.00 176.83 179.40 2vb5 n LYS 58 N -4.56 0.00 0.02 3.45 2.85 -1.26 -5.08 118.16 113.58 2vb5 n LYS 58 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 2vb5 n LYS 58 Cb 0.21 -0.03 0.00 0.00 -0.65 0.00 0.00 35.03 34.56 2vb5 n LYS 58 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2vb5 n ASP 59 N -2.45 -0.39 -2.84 -5.58 -0.08 -1.26 -5.01 116.55 98.93 2vb5 n ASP 59 Ca 0.00 0.18 -0.38 0.00 -1.51 0.00 0.00 54.79 53.08 2vb5 n ASP 59 Cb 0.01 0.57 0.03 0.00 2.34 0.00 0.00 41.12 44.07 2vb5 n ASP 59 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2vb5 n GLY 60 N -1.41 5.39 3.15 0.27 0.00 -1.26 -4.81 105.19 106.53 2vb5 n GLY 60 Ca 0.00 -2.40 0.04 0.00 0.00 0.00 0.00 46.02 43.66 2vb5 n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vb5 s SER 61 N -0.94 -1.34 -0.26 1.61 0.01 -1.26 -4.98 113.70 106.54 2vb5 s SER 61 Ca 0.53 0.78 -0.18 0.00 1.31 0.00 0.00 55.95 58.39 2vb5 s SER 61 Cb 0.44 2.10 -0.03 0.00 0.21 0.00 0.00 66.02 68.74 2vb5 s SER 61 CO -0.38 -0.25 0.52 -0.36 0.41 0.00 0.00 173.24 173.18 2vb5 s PHE 62 N 2.86 3.27 -0.39 2.43 0.08 -1.26 -1.11 117.98 123.86 2vb5 s PHE 62 Ca 0.19 0.64 -0.08 0.00 0.12 0.00 0.00 56.93 57.80 2vb5 s PHE 62 Cb -0.14 -2.72 0.06 0.00 -0.57 0.00 0.00 43.02 39.65 2vb5 s PHE 62 CO -0.21 -0.28 0.20 1.52 -0.10 0.00 0.00 175.22 176.35 2vb5 s TYR 63 N 2.31 3.31 -0.08 0.36 -0.85 -1.15 -1.20 117.35 120.06 2vb5 s TYR 63 Ca 0.21 -1.47 0.05 0.00 -0.52 0.00 0.00 57.07 55.33 2vb5 s TYR 63 Cb -0.16 -2.71 -0.00 0.00 0.38 0.00 0.00 41.96 39.47 2vb5 s TYR 63 CO 0.09 -0.80 -0.24 -1.17 -1.52 0.00 0.00 175.55 171.92 2vb5 s LEU 64 N 1.42 2.06 -0.11 -3.49 0.20 -1.26 -4.50 118.68 113.00 2vb5 s LEU 64 Ca 0.02 -0.53 -0.04 0.00 0.69 0.00 0.00 54.13 54.27 2vb5 s LEU 64 Cb -0.21 -1.36 -0.04 0.00 -0.43 0.00 0.00 46.19 44.15 2vb5 s LEU 64 CO 0.03 0.18 0.06 -0.22 -0.29 0.00 0.00 176.35 176.11 2vb5 s LEU 65 N 0.20 3.94 -0.39 -0.68 2.96 -1.26 -2.19 118.68 121.26 2vb5 s LEU 65 Ca -0.14 0.28 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 2vb5 s LEU 65 Cb -0.16 -1.93 0.11 0.00 0.50 0.00 0.00 46.19 44.70 2vb5 s LEU 65 CO 0.07 0.38 0.12 -0.31 -1.32 0.00 0.00 176.35 175.29 2vb5 s TYR 66 N -0.88 3.41 -0.87 5.38 1.51 -0.91 -2.61 117.35 122.39 2vb5 s TYR 66 Ca 0.13 -2.95 0.00 0.00 -1.01 0.00 0.00 57.07 53.24 2vb5 s TYR 66 Cb -0.12 -2.78 0.25 0.00 -0.11 0.00 0.00 41.96 39.20 2vb5 s TYR 66 CO 0.03 -0.88 0.96 2.48 -1.11 0.00 0.00 175.55 177.03 2vb5 n TYR 67 N 3.95 3.51 -2.97 2.71 0.18 0.49 -2.46 117.16 122.57 2vb5 n TYR 67 Ca 0.04 -3.73 -0.38 0.00 1.88 0.00 0.00 57.90 55.71 2vb5 n TYR 67 Cb 0.39 -0.98 -0.06 0.00 -0.38 0.00 0.00 39.34 38.31 2vb5 n TYR 67 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 2vb5 s THR 68 N -2.12 4.37 -0.67 -3.48 -1.32 -1.18 -4.40 115.64 106.85 2vb5 s THR 68 Ca 0.32 1.64 -0.20 0.00 -1.21 0.00 0.00 61.69 62.24 2vb5 s THR 68 Cb 0.03 -4.06 0.10 0.00 -1.51 0.00 0.00 72.50 67.06 2vb5 s THR 68 CO -0.03 0.38 0.86 -0.70 -2.21 0.00 0.00 174.62 172.93 2vb5 s GLU 69 N -1.50 3.16 0.21 7.08 2.12 -1.26 -1.31 118.70 127.19 2vb5 s GLU 69 Ca 0.40 -1.23 -0.07 0.00 0.36 0.00 0.00 54.97 54.43 2vb5 s GLU 69 Cb -0.21 -4.35 -0.06 0.00 0.26 0.00 0.00 34.13 29.77 2vb5 s GLU 69 CO 0.25 -1.67 0.49 -0.59 -0.54 0.00 0.00 175.26 173.19 2vb5 s PHE 70 N 3.13 3.45 -0.47 5.30 -0.12 0.24 -4.87 117.98 124.63 2vb5 s PHE 70 Ca 0.19 0.72 -0.06 0.00 -0.05 0.00 0.00 56.93 57.72 2vb5 s PHE 70 Cb -0.18 -2.14 0.12 0.00 -0.63 0.00 0.00 43.02 40.19 2vb5 s PHE 70 CO 0.05 0.31 0.32 0.99 -0.05 0.00 0.00 175.22 176.84 2vb5 s THR 71 N -1.81 3.87 -0.61 -4.49 2.01 -1.26 -1.12 115.64 112.23 2vb5 s THR 71 Ca 0.44 -2.02 -0.27 0.00 0.31 0.00 0.00 61.69 60.15 2vb5 s THR 71 Cb -0.11 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.83 2vb5 s THR 71 CO 0.24 -0.76 1.47 -2.16 -0.69 0.00 0.00 174.62 172.72 2vb5 s PRO 72 N 1.11 3.15 0.02 4.92 0.04 -1.26 -4.89 135.00 138.09 2vb5 s PRO 72 Ca 0.08 0.34 -0.22 0.00 0.04 0.00 0.00 61.00 61.24 2vb5 s PRO 72 Cb -0.24 -4.19 -0.12 0.00 0.04 0.00 0.00 34.50 29.99 2vb5 s PRO 72 CO -0.03 -2.13 1.11 1.15 0.04 0.00 0.00 177.00 177.14 2vb5 h THR 73 N 6.40 0.00 0.00 1.26 2.02 -1.94 0.87 112.91 121.51 2vb5 h THR 73 Ca -0.27 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2vb5 h THR 73 Cb 1.10 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2vb5 h THR 73 CO 1.21 0.00 0.00 1.21 0.37 0.00 0.00 175.52 178.31 2vb5 n GLU 74 N -4.61 0.00 -1.62 6.66 2.13 -1.26 -3.35 120.64 118.59 2vb5 n GLU 74 Ca -0.10 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.41 2vb5 n GLU 74 Cb 0.31 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.99 2vb5 n GLU 74 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2vb5 n LYS 75 N -1.37 2.58 -3.34 5.31 5.02 -1.26 -4.94 118.16 120.16 2vb5 n LYS 75 Ca 0.00 -2.69 -0.38 0.00 -2.02 0.00 0.00 58.31 53.22 2vb5 n LYS 75 Cb 0.00 -2.19 -0.06 0.00 -0.02 0.00 0.00 35.03 32.76 2vb5 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2vb5 s ASP 76 N -0.01 6.65 -0.52 4.39 1.01 -1.26 -5.05 116.67 121.87 2vb5 s ASP 76 Ca 0.57 0.77 -0.12 0.00 0.71 0.00 0.00 52.55 54.48 2vb5 s ASP 76 Cb 0.39 -2.27 0.13 0.00 1.01 0.00 0.00 42.92 42.18 2vb5 s ASP 76 CO -0.27 0.01 0.44 -1.83 0.21 0.00 0.00 175.17 173.73 2vb5 s GLU 77 N 0.64 2.76 0.12 8.23 1.03 -1.26 -5.03 118.70 125.20 2vb5 s GLU 77 Ca 0.25 -1.80 -0.21 0.00 0.03 0.00 0.00 54.97 53.24 2vb5 s GLU 77 Cb -0.15 -4.11 -0.07 0.00 -0.80 0.00 0.00 34.13 29.00 2vb5 s GLU 77 CO 0.10 -1.26 0.65 0.71 -1.33 0.00 0.00 175.26 174.12 2vb5 s TYR 78 N 1.37 3.82 -0.21 4.83 2.02 -1.26 -2.14 117.35 125.77 2vb5 s TYR 78 Ca 0.05 1.39 -0.09 0.00 -0.37 0.00 0.00 57.07 58.05 2vb5 s TYR 78 Cb -0.27 -2.59 0.08 0.00 -0.40 0.00 0.00 41.96 38.79 2vb5 s TYR 78 CO 0.00 0.54 0.48 0.00 -1.57 0.00 0.00 175.55 175.00 2vb5 s ALA 79 N -1.18 -1.31 -0.31 3.71 0.00 -1.21 -3.60 121.76 117.87 2vb5 s ALA 79 Ca 0.33 1.72 -0.20 0.00 0.00 0.00 0.00 51.96 53.81 2vb5 s ALA 79 Cb -0.20 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 2vb5 s ALA 79 CO 0.22 -0.57 0.60 0.00 0.00 0.00 0.00 175.76 176.01 2vb5 s ARG 81 N 2.56 3.33 -1.01 0.00 3.52 -1.26 -1.54 118.95 124.54 2vb5 s ARG 81 Ca 0.24 -1.93 -0.12 0.00 -0.13 0.00 0.00 55.73 53.79 2vb5 s ARG 81 Cb -0.15 -4.43 0.23 0.00 -1.56 0.00 0.00 34.95 29.05 2vb5 s ARG 81 CO 0.12 -1.42 1.04 0.08 -0.81 0.00 0.00 175.30 174.31 2vb5 s VAL 82 N 1.42 5.64 0.46 7.11 1.01 -0.72 -1.61 120.40 133.70 2vb5 s VAL 82 Ca 0.15 -2.85 -0.10 0.00 0.00 0.00 0.00 61.98 59.18 2vb5 s VAL 82 Cb -0.17 -4.61 -0.06 0.00 0.00 0.00 0.00 36.38 31.53 2vb5 s VAL 82 CO -0.03 -1.22 0.82 0.20 0.00 0.00 0.00 175.10 174.88 2vb5 s ASN 83 N 1.99 6.44 0.28 3.32 -0.87 -0.74 -3.68 114.94 121.69 2vb5 s ASN 83 Ca 0.28 1.15 -0.21 0.00 -1.57 0.00 0.00 52.86 52.52 2vb5 s ASN 83 Cb -0.09 -2.34 0.04 0.00 -0.02 0.00 0.00 41.25 38.84 2vb5 s ASN 83 CO -0.07 -0.51 0.80 -2.28 -2.57 0.00 0.00 177.10 172.46 2vb5 s HIS 84 N -2.56 -0.10 0.26 2.20 2.46 -0.80 -1.17 115.29 115.58 2vb5 s HIS 84 Ca 0.51 -0.38 -0.04 0.00 0.47 0.00 0.00 55.06 55.62 2vb5 s HIS 84 Cb -0.10 0.73 0.31 0.00 -0.13 0.00 0.00 32.58 33.38 2vb5 s HIS 84 CO 0.37 -1.22 1.85 -0.24 -2.47 0.00 0.00 174.74 173.03 2vb5 h VAL 85 N 2.00 1.24 -0.01 0.89 3.04 -1.93 -2.85 116.25 118.62 2vb5 h VAL 85 Ca -0.23 -0.68 -0.04 0.00 -1.01 0.00 0.00 66.70 64.73 2vb5 h VAL 85 Cb 1.24 0.29 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 2vb5 h VAL 85 CO 0.28 0.29 -0.16 0.71 -1.01 0.00 0.00 177.57 177.68 2vb5 h THR 86 N 1.07 1.55 -0.29 3.17 1.35 -1.94 -3.36 112.91 114.46 2vb5 h THR 86 Ca 0.26 -1.85 -0.71 0.00 -0.55 0.00 0.00 66.41 63.56 2vb5 h THR 86 Cb 0.12 2.73 -0.06 0.00 -1.73 0.00 0.00 68.15 69.21 2vb5 h THR 86 CO -0.03 0.50 2.88 0.18 -0.25 0.00 0.00 175.52 178.80 2vb5 n LEU 87 N -4.59 6.62 0.23 3.87 4.77 -1.08 -4.66 117.00 122.15 2vb5 n LEU 87 Ca -0.09 -4.18 0.14 0.00 -0.03 0.00 0.00 56.01 51.84 2vb5 n LEU 87 Cb 0.45 -1.65 0.77 0.00 -2.33 0.00 0.00 43.42 40.66 2vb5 n LEU 87 CO 0.37 1.04 1.12 0.28 -1.33 0.00 0.00 177.39 178.87 2vb5 h SER 88 N 6.15 0.00 -3.58 -1.43 0.02 -1.71 -2.12 113.55 110.88 2vb5 h SER 88 Ca 0.53 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.96 2vb5 h SER 88 Cb 0.67 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 2vb5 h SER 88 CO 1.80 0.00 0.19 0.00 -1.14 0.00 0.00 176.83 177.68 2vb5 s GLN 89 N -4.84 4.51 -0.44 3.45 -2.07 -1.26 -4.96 119.66 114.05 2vb5 s GLN 89 Ca -0.05 1.12 -0.28 0.00 -1.82 0.00 0.00 55.36 54.33 2vb5 s GLN 89 Cb 0.16 -3.13 -0.01 0.00 -1.09 0.00 0.00 33.01 28.94 2vb5 s GLN 89 CO 0.61 0.50 1.70 -1.25 -1.32 0.00 0.00 175.29 175.54 2vb5 s PRO 90 N -1.43 3.19 -1.00 9.60 0.04 -1.26 -4.62 135.00 139.52 2vb5 s PRO 90 Ca 0.39 1.02 -0.21 0.00 0.04 0.00 0.00 61.00 62.24 2vb5 s PRO 90 Cb -0.21 -4.21 0.09 0.00 0.04 0.00 0.00 34.50 30.21 2vb5 s PRO 90 CO 0.25 -2.04 1.33 0.21 0.04 0.00 0.00 177.00 176.78 2vb5 s LYS 91 N 5.87 3.63 -0.76 4.56 2.20 -1.24 -4.90 119.74 129.10 2vb5 s LYS 91 Ca 0.70 -1.48 -0.26 0.00 -0.36 0.00 0.00 55.97 54.57 2vb5 s LYS 91 Cb -0.17 -5.17 0.01 0.00 -1.51 0.00 0.00 37.83 30.99 2vb5 s LYS 91 CO 0.29 -2.01 1.55 0.42 -0.36 0.00 0.00 175.35 175.24 2vb5 s ILE 92 N 3.86 3.61 0.30 5.43 -1.09 -1.26 -1.76 121.20 130.30 2vb5 s ILE 92 Ca 0.41 0.10 -0.27 0.00 -2.23 0.00 0.00 60.65 58.66 2vb5 s ILE 92 Cb -0.02 -4.55 -0.10 0.00 -1.58 0.00 0.00 42.46 36.21 2vb5 s ILE 92 CO -0.09 -1.49 0.94 -0.69 -1.23 0.00 0.00 174.94 172.38 2vb5 s VAL 93 N 7.07 4.18 -0.38 2.92 1.01 -0.59 -4.96 120.40 129.65 2vb5 s VAL 93 Ca 0.50 1.89 -0.01 0.00 0.00 0.00 0.00 61.98 64.35 2vb5 s VAL 93 Cb -0.08 -4.09 0.10 0.00 0.00 0.00 0.00 36.38 32.31 2vb5 s VAL 93 CO 0.12 0.23 0.14 -0.54 0.00 0.00 0.00 175.10 175.05 2vb5 s LYS 94 N -1.84 1.95 -0.25 2.72 -0.14 -1.26 -2.89 119.74 118.03 2vb5 s LYS 94 Ca 0.48 -1.75 -0.41 0.00 -1.36 0.00 0.00 55.97 52.92 2vb5 s LYS 94 Cb -0.20 -3.44 -0.17 0.00 -1.68 0.00 0.00 37.83 32.33 2vb5 s LYS 94 CO 0.26 -0.98 1.59 1.87 -0.76 0.00 0.00 175.35 177.33 2vb5 n TRP 95 N 4.52 1.78 -2.64 3.18 -0.00 -1.24 -4.93 117.44 118.11 2vb5 n TRP 95 Ca -0.02 0.74 -0.42 0.00 -0.00 0.00 0.00 57.50 57.80 2vb5 n TRP 95 Cb 0.42 -2.35 -0.03 0.00 -0.00 0.00 0.00 31.31 29.35 2vb5 n TRP 95 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 2vb5 s ASP 96 N 2.62 7.26 -1.09 5.87 -1.08 -1.26 -4.94 116.67 124.05 2vb5 s ASP 96 Ca 0.97 1.66 -0.22 0.00 -0.52 0.00 0.00 52.55 54.44 2vb5 s ASP 96 Cb -1.17 -2.56 -0.02 0.00 -1.46 0.00 0.00 42.92 37.71 2vb5 s ASP 96 CO 0.66 -0.39 1.80 0.00 0.52 0.00 0.00 175.17 177.76 2vb5 s ARG 97 N 1.54 3.03 -0.00 4.34 3.03 -1.26 -4.38 118.95 125.24 2vb5 s ARG 97 Ca 0.52 -1.06 -0.00 0.00 2.03 0.00 0.00 55.73 57.21 2vb5 s ARG 97 Cb -0.21 -5.27 0.00 0.00 -1.03 0.00 0.00 34.95 28.44 2vb5 s ARG 97 CO 0.24 -3.10 0.01 -3.47 -1.13 0.00 0.00 175.30 167.85 2vb5 n ASP 98 N 11.95 -3.04 0.00 -2.89 2.03 -1.26 -5.00 116.55 118.35 2vb5 n ASP 98 Ca 0.42 0.32 0.00 0.00 0.52 0.00 0.00 54.79 56.05 2vb5 n ASP 98 Cb 0.47 -1.77 0.00 0.00 -0.72 0.00 0.00 41.12 39.10 2vb5 n ASP 98 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08