#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 -0.75 -1.00 3.17 1.10 -1.26 -5.07 121.20 117.39 2vb5 s ILE 1 Ca 0.00 -0.30 -0.22 0.00 -0.51 0.00 0.00 60.65 59.61 2vb5 s ILE 1 Cb 0.00 -0.61 0.06 0.00 0.15 0.00 0.00 42.46 42.06 2vb5 s ILE 1 CO 0.00 -0.21 1.40 -1.10 -2.11 0.00 0.00 174.94 172.92 2vb5 s GLN 2 N 2.13 3.58 0.36 3.50 -0.21 -1.26 -4.79 119.66 122.97 2vb5 s GLN 2 Ca 0.13 -1.20 -0.26 0.00 0.02 0.00 0.00 55.36 54.05 2vb5 s GLN 2 Cb -0.10 -5.27 -0.09 0.00 1.00 0.00 0.00 33.01 28.55 2vb5 s GLN 2 CO -0.16 -2.14 1.06 0.50 -2.12 0.00 0.00 175.29 172.43 2vb5 s ARG 3 N 4.64 4.33 0.32 2.91 3.52 -1.20 -4.88 118.95 128.60 2vb5 s ARG 3 Ca 0.44 1.59 -0.10 0.00 -0.13 0.00 0.00 55.73 57.52 2vb5 s ARG 3 Cb -0.01 -2.76 -0.07 0.00 -1.56 0.00 0.00 34.95 30.55 2vb5 s ARG 3 CO -0.09 -0.01 0.67 0.95 -0.81 0.00 0.00 175.30 176.00 2vb5 s THR 4 N -1.50 4.84 0.21 4.11 -4.23 -1.26 -1.69 115.64 116.13 2vb5 s THR 4 Ca 0.53 0.56 -0.30 0.00 -1.18 0.00 0.00 61.69 61.30 2vb5 s THR 4 Cb -0.25 -3.67 -0.09 0.00 1.34 0.00 0.00 72.50 69.83 2vb5 s THR 4 CO 0.31 -0.28 1.40 -2.16 -0.54 0.00 0.00 174.62 173.35 2vb5 s PRO 5 N -3.31 4.31 -0.45 3.99 0.04 -1.26 -4.12 135.00 134.20 2vb5 s PRO 5 Ca 0.50 2.20 -0.20 0.00 0.04 0.00 0.00 61.00 63.54 2vb5 s PRO 5 Cb -0.11 -3.15 0.03 0.00 0.04 0.00 0.00 34.50 31.31 2vb5 s PRO 5 CO 0.25 -0.38 0.62 0.15 0.04 0.00 0.00 177.00 177.68 2vb5 s LYS 6 N -0.05 3.23 0.34 4.56 3.01 -0.48 -4.89 119.74 125.47 2vb5 s LYS 6 Ca 0.60 -0.49 -0.28 0.00 -1.01 0.00 0.00 55.97 54.78 2vb5 s LYS 6 Cb -0.40 -3.97 -0.10 0.00 -1.01 0.00 0.00 37.83 32.35 2vb5 s LYS 6 CO 0.39 -1.02 1.30 0.42 0.51 0.00 0.00 175.35 176.95 2vb5 s ILE 7 N 2.72 2.73 -0.47 2.17 1.09 -1.26 -2.88 121.20 125.30 2vb5 s ILE 7 Ca 0.20 0.73 0.06 0.00 -1.10 0.00 0.00 60.65 60.54 2vb5 s ILE 7 Cb -0.15 -3.46 0.19 0.00 -1.06 0.00 0.00 42.46 37.98 2vb5 s ILE 7 CO 0.17 0.16 0.73 -1.58 -0.10 0.00 0.00 174.94 174.33 2vb5 s GLN 8 N -1.85 0.93 -0.65 2.79 -0.44 -1.19 -5.01 119.66 114.24 2vb5 s GLN 8 Ca 0.50 -0.74 -0.15 0.00 -2.50 0.00 0.00 55.36 52.46 2vb5 s GLN 8 Cb -0.39 0.00 0.16 0.00 -1.64 0.00 0.00 33.01 31.14 2vb5 s GLN 8 CO 0.52 -1.20 0.60 0.08 0.50 0.00 0.00 175.29 175.79 2vb5 s VAL 9 N 1.21 5.35 0.19 1.34 1.01 -1.26 -2.02 120.40 126.22 2vb5 s VAL 9 Ca 0.25 -1.87 0.09 0.00 0.00 0.00 0.00 61.98 60.45 2vb5 s VAL 9 Cb -0.00 -4.38 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 2vb5 s VAL 9 CO -0.06 -0.93 -0.09 -0.72 0.00 0.00 0.00 175.10 173.30 2vb5 s TYR 10 N 1.06 2.64 -0.24 5.22 1.13 -1.12 -3.65 117.35 122.39 2vb5 s TYR 10 Ca 0.09 -0.22 -0.21 0.00 -1.41 0.00 0.00 57.07 55.32 2vb5 s TYR 10 Cb -0.23 -1.27 -0.02 0.00 -1.10 0.00 0.00 41.96 39.34 2vb5 s TYR 10 CO -0.01 0.53 0.65 -1.54 -2.51 0.00 0.00 175.55 172.66 2vb5 s SER 11 N -2.91 6.63 0.04 -0.18 1.04 -1.26 -1.05 113.70 116.00 2vb5 s SER 11 Ca 0.26 0.78 -0.30 0.00 0.48 0.00 0.00 55.95 57.16 2vb5 s SER 11 Cb -0.08 -2.35 -0.17 0.00 0.10 0.00 0.00 66.02 63.51 2vb5 s SER 11 CO 0.16 -0.35 1.35 -0.09 0.98 0.00 0.00 173.24 175.29 2vb5 h ARG 12 N 7.75 -0.85 -6.56 4.02 9.65 -1.45 -3.43 114.38 123.51 2vb5 h ARG 12 Ca -0.28 0.06 -0.52 0.00 -1.10 0.00 0.00 59.98 58.14 2vb5 h ARG 12 Cb 1.13 0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 29.87 2vb5 h ARG 12 CO 0.78 -0.53 0.25 -1.01 2.80 0.00 0.00 179.97 182.26 2vb5 s HIS 13 N -5.27 3.89 -0.05 2.20 3.76 -1.26 -5.00 115.29 113.56 2vb5 s HIS 13 Ca -0.16 1.71 -0.30 0.00 -0.15 0.00 0.00 55.06 56.16 2vb5 s HIS 13 Cb 0.02 -2.87 -0.05 0.00 1.11 0.00 0.00 32.58 30.79 2vb5 s HIS 13 CO 0.53 0.43 1.55 -1.25 -0.85 0.00 0.00 174.74 175.15 2vb5 s PRO 14 N -0.86 4.21 -0.72 8.40 0.04 -1.26 -4.64 135.00 140.16 2vb5 s PRO 14 Ca 0.39 2.08 -0.26 0.00 0.04 0.00 0.00 61.00 63.25 2vb5 s PRO 14 Cb -0.24 -3.84 -0.09 0.00 0.04 0.00 0.00 34.50 30.37 2vb5 s PRO 14 CO 0.28 -0.77 2.25 0.00 0.04 0.00 0.00 177.00 178.80 2vb5 s ALA 15 N 3.53 1.28 0.05 8.56 0.00 -1.26 -4.95 121.76 128.98 2vb5 s ALA 15 Ca 0.69 -0.73 -0.25 0.00 0.00 0.00 0.00 51.96 51.67 2vb5 s ALA 15 Cb -0.32 -4.49 -0.06 0.00 0.00 0.00 0.00 23.12 18.26 2vb5 s ALA 15 CO 0.27 -5.12 0.76 -2.00 0.00 0.00 0.00 175.76 169.67 2vb5 s GLU 16 N 8.15 4.49 -0.42 0.00 -6.30 -1.26 -4.97 118.70 118.40 2vb5 s GLU 16 Ca 0.86 1.06 -0.36 0.00 -2.50 0.00 0.00 54.97 54.04 2vb5 s GLU 16 Cb -0.13 -3.36 -0.13 0.00 0.00 0.00 0.00 34.13 30.52 2vb5 s GLU 16 CO 0.12 0.30 2.23 -1.71 0.02 0.00 0.00 175.26 176.22 2vb5 n ASN 17 N 2.73 1.81 -2.45 -1.70 5.15 -1.26 -2.74 115.26 116.80 2vb5 n ASN 17 Ca -0.03 0.38 -0.04 0.00 -0.60 0.00 0.00 54.58 54.29 2vb5 n ASN 17 Cb 0.50 -1.20 0.02 0.00 -0.53 0.00 0.00 39.78 38.57 2vb5 n ASN 17 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2vb5 n GLY 18 N 6.66 -0.56 3.37 8.20 0.00 -0.77 -4.99 105.19 117.11 2vb5 n GLY 18 Ca 0.45 0.20 -0.13 0.00 0.00 0.00 0.00 46.02 46.54 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 -3.40 1.05 0.12 1.61 2.20 -1.11 -5.02 119.74 115.19 2vb5 s LYS 19 Ca 0.13 -0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 55.08 2vb5 s LYS 19 Cb -0.02 0.48 -0.07 0.00 -1.51 0.00 0.00 37.83 36.71 2vb5 s LYS 19 CO 0.43 -0.39 1.19 -1.12 -0.36 0.00 0.00 175.35 175.10 2vb5 s SER 20 N -2.20 7.09 0.16 1.43 0.01 -1.26 -3.45 113.70 115.48 2vb5 s SER 20 Ca -0.03 2.11 -0.07 0.00 1.31 0.00 0.00 55.95 59.27 2vb5 s SER 20 Cb -0.00 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 2vb5 s SER 20 CO -0.05 -0.42 0.22 0.20 0.41 0.00 0.00 173.24 173.61 2vb5 s ASN 21 N 0.63 0.11 -0.27 2.44 -0.87 -0.35 -4.97 114.94 111.67 2vb5 s ASN 21 Ca 0.56 -0.98 -0.04 0.00 -1.57 0.00 0.00 52.86 50.83 2vb5 s ASN 21 Cb -0.31 0.40 0.01 0.00 -0.02 0.00 0.00 41.25 41.34 2vb5 s ASN 21 CO 0.32 -0.85 0.01 -0.36 -2.57 0.00 0.00 177.10 173.65 2vb5 s PHE 22 N -4.00 3.09 0.35 2.20 0.40 -1.26 -1.21 117.98 117.56 2vb5 s PHE 22 Ca 0.20 -1.20 -0.19 0.00 -0.60 0.00 0.00 56.93 55.14 2vb5 s PHE 22 Cb 0.04 -2.16 -0.10 0.00 0.51 0.00 0.00 43.02 41.32 2vb5 s PHE 22 CO 0.01 -0.63 0.84 -1.17 0.70 0.00 0.00 175.22 174.97 2vb5 s LEU 23 N 1.43 4.08 -0.37 -0.37 2.96 -0.61 -1.09 118.68 124.71 2vb5 s LEU 23 Ca 0.02 1.51 0.02 0.00 -0.22 0.00 0.00 54.13 55.46 2vb5 s LEU 23 Cb -0.17 -4.19 0.15 0.00 0.50 0.00 0.00 46.19 42.49 2vb5 s LEU 23 CO -0.01 -0.22 0.30 0.20 -1.32 0.00 0.00 176.35 175.30 2vb5 s ASN 24 N -2.09 2.03 -1.00 3.68 0.01 -0.22 -2.93 114.94 114.42 2vb5 s ASN 24 Ca 0.55 -2.06 -0.22 0.00 -0.71 0.00 0.00 52.86 50.42 2vb5 s ASN 24 Cb -0.11 0.00 0.07 0.00 0.41 0.00 0.00 41.25 41.62 2vb5 s ASN 24 CO 0.17 -0.27 1.39 0.00 -1.51 0.00 0.00 177.10 176.88 2vb5 s TYR 26 N 4.54 3.16 -0.43 0.00 6.14 -0.86 -2.31 117.35 127.60 2vb5 s TYR 26 Ca 0.43 -1.26 -0.10 0.00 0.64 0.00 0.00 57.07 56.78 2vb5 s TYR 26 Cb -0.01 -4.07 0.08 0.00 0.42 0.00 0.00 41.96 38.38 2vb5 s TYR 26 CO -0.10 -1.31 0.29 0.14 0.64 0.00 0.00 175.55 175.20 2vb5 s VAL 27 N 2.27 4.34 -0.03 3.14 -7.23 -1.18 -3.18 120.40 118.53 2vb5 s VAL 27 Ca 0.19 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 2vb5 s VAL 27 Cb -0.15 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.07 2vb5 s VAL 27 CO -0.01 -0.55 0.02 -0.94 -0.31 0.00 0.00 175.10 173.30 2vb5 s SER 28 N 2.25 5.26 -0.51 4.85 1.04 -1.14 -3.48 113.70 121.97 2vb5 s SER 28 Ca 0.03 0.07 -0.00 0.00 0.48 0.00 0.00 55.95 56.53 2vb5 s SER 28 Cb -0.24 -1.43 0.00 0.00 0.10 0.00 0.00 66.02 64.45 2vb5 s SER 28 CO 0.02 0.31 0.43 0.61 0.98 0.00 0.00 173.24 175.60 2vb5 n GLY 29 N 1.61 0.12 3.45 7.32 0.00 -1.24 -1.38 105.19 115.08 2vb5 n GLY 29 Ca -0.16 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.15 3.24 -0.16 1.61 -0.71 -1.26 -4.03 117.98 113.51 2vb5 s PHE 30 Ca 0.03 -0.64 -0.09 0.00 -1.04 0.00 0.00 56.93 55.19 2vb5 s PHE 30 Cb -0.01 -2.69 -0.05 0.00 -1.21 0.00 0.00 43.02 39.06 2vb5 s PHE 30 CO 0.31 -0.63 0.13 -1.01 -1.34 0.00 0.00 175.22 172.68 2vb5 s HIS 31 N 1.68 3.48 -0.10 3.49 3.76 -0.68 -3.51 115.29 123.41 2vb5 s HIS 31 Ca 0.05 0.41 -0.08 0.00 -0.15 0.00 0.00 55.06 55.28 2vb5 s HIS 31 Cb -0.20 -2.06 -0.07 0.00 1.11 0.00 0.00 32.58 31.36 2vb5 s HIS 31 CO 0.09 0.48 0.26 -1.00 -0.85 0.00 0.00 174.74 173.72 2vb5 h PRO 32 N 5.93 -0.05 0.00 8.40 0.13 -1.86 -3.17 132.00 141.37 2vb5 h PRO 32 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 2vb5 h PRO 32 Cb 1.19 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 2vb5 h PRO 32 CO 0.68 0.19 -0.12 -1.13 -0.23 0.00 0.00 178.00 177.38 2vb5 n SER 33 N -4.78 -0.68 -2.87 1.44 3.41 -1.23 -4.95 113.62 103.96 2vb5 n SER 33 Ca -0.03 -1.56 -0.39 0.00 -0.26 0.00 0.00 58.87 56.63 2vb5 n SER 33 Cb 0.13 0.32 0.04 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.72 7.41 -4.88 4.04 8.00 -1.26 -5.01 116.55 124.13 2vb5 n ASP 34 Ca -0.08 -3.83 -0.34 0.00 0.71 0.00 0.00 54.79 51.24 2vb5 n ASP 34 Cb 0.68 -1.03 -0.05 0.00 -0.02 0.00 0.00 41.12 40.69 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 -5.09 5.16 -0.32 0.53 2.07 -1.26 -3.38 121.20 118.91 2vb5 s ILE 35 Ca 0.52 0.30 -0.00 0.00 -1.41 0.00 0.00 60.65 60.06 2vb5 s ILE 35 Cb 0.44 -3.62 0.10 0.00 0.13 0.00 0.00 42.46 39.51 2vb5 s ILE 35 CO -0.39 0.26 0.11 -1.61 -1.91 0.00 0.00 174.94 171.40 2vb5 s GLU 36 N -2.01 0.77 -0.67 3.50 0.41 -0.62 -5.00 118.70 115.08 2vb5 s GLU 36 Ca 0.33 -1.16 -0.17 0.00 -0.41 0.00 0.00 54.97 53.56 2vb5 s GLU 36 Cb -0.13 -2.04 0.14 0.00 -1.78 0.00 0.00 34.13 30.32 2vb5 s GLU 36 CO 0.19 -1.00 0.70 0.08 -0.49 0.00 0.00 175.26 174.74 2vb5 s VAL 37 N 1.51 5.13 -0.84 2.63 1.01 -1.26 -2.00 120.40 126.57 2vb5 s VAL 37 Ca 0.10 -1.58 -0.02 0.00 0.00 0.00 0.00 61.98 60.49 2vb5 s VAL 37 Cb -0.18 -4.47 0.35 0.00 0.00 0.00 0.00 36.38 32.08 2vb5 s VAL 37 CO -0.23 -1.06 1.97 0.47 0.00 0.00 0.00 175.10 176.24 2vb5 n ASP 38 N 5.43 7.38 -4.74 3.32 9.92 -0.67 -4.96 116.55 132.22 2vb5 n ASP 38 Ca -0.02 -3.82 -0.33 0.00 -0.53 0.00 0.00 54.79 50.09 2vb5 n ASP 38 Cb 0.43 -1.04 0.08 0.00 -0.64 0.00 0.00 41.12 39.95 2vb5 n ASP 38 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 2vb5 s LEU 39 N -4.07 3.28 0.14 0.64 0.05 -1.26 -4.32 118.68 113.14 2vb5 s LEU 39 Ca 0.51 2.15 0.05 0.00 0.05 0.00 0.00 54.13 56.88 2vb5 s LEU 39 Cb 0.42 -4.57 -0.04 0.00 -2.05 0.00 0.00 46.19 39.95 2vb5 s LEU 39 CO -0.39 -2.05 -0.11 -0.76 -0.55 0.00 0.00 176.35 172.49 2vb5 s LEU 40 N -5.22 2.49 -0.30 1.48 1.43 -0.22 -3.56 118.68 114.78 2vb5 s LEU 40 Ca 0.69 -0.95 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 2vb5 s LEU 40 Cb -0.24 -0.42 0.09 0.00 0.03 0.00 0.00 46.19 45.65 2vb5 s LEU 40 CO 0.46 -0.27 0.02 -1.59 0.23 0.00 0.00 176.35 175.20 2vb5 s LYS 41 N -3.41 1.39 -1.28 1.70 -2.85 0.04 -2.91 119.74 112.42 2vb5 s LYS 41 Ca 0.14 -1.43 -0.05 0.00 -1.00 0.00 0.00 55.97 53.64 2vb5 s LYS 41 Cb 0.00 -2.74 -0.01 0.00 -2.06 0.00 0.00 37.83 33.03 2vb5 s LYS 41 CO 0.02 -0.84 0.66 -1.71 0.10 0.00 0.00 175.35 173.58 2vb5 n ASN 42 N 4.51 -2.19 0.00 0.03 2.85 -0.17 -1.96 115.26 118.33 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 0.42 -3.73 0.00 0.00 1.24 0.00 0.00 39.78 37.71 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 -1.68 2.70 3.66 8.20 0.00 -1.26 -5.00 105.19 111.82 2vb5 n GLY 43 Ca -0.24 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 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 4.22 0.30 1.61 0.41 -0.83 -4.95 118.70 119.46 2vb5 s GLU 44 Ca 0.00 0.70 -0.29 0.00 -0.41 0.00 0.00 54.97 54.96 2vb5 s GLU 44 Cb 0.00 -3.58 -0.10 0.00 -1.78 0.00 0.00 34.13 28.67 2vb5 s GLU 44 CO 0.00 -0.27 1.28 0.50 -0.49 0.00 0.00 175.26 176.28 2vb5 s ARG 45 N 2.01 4.40 -0.26 1.61 3.52 -1.26 -0.78 118.95 128.19 2vb5 s ARG 45 Ca 0.30 2.14 -0.22 0.00 -0.13 0.00 0.00 55.73 57.82 2vb5 s ARG 45 Cb -0.16 -3.11 -0.01 0.00 -1.56 0.00 0.00 34.95 30.11 2vb5 s ARG 45 CO 0.10 -0.14 0.73 0.42 -0.81 0.00 0.00 175.30 175.60 2vb5 s ILE 46 N -0.93 4.90 -0.13 4.11 1.09 -1.23 -4.92 121.20 124.09 2vb5 s ILE 46 Ca 0.50 1.29 -0.05 0.00 -1.10 0.00 0.00 60.65 61.29 2vb5 s ILE 46 Cb -0.38 -4.03 -0.17 0.00 -1.06 0.00 0.00 42.46 36.82 2vb5 s ILE 46 CO 0.49 -0.05 3.37 -0.62 -0.10 0.00 0.00 174.94 178.02 2vb5 n GLU 47 N 5.89 2.11 -2.69 2.79 4.71 -1.26 -3.78 120.64 128.42 2vb5 n GLU 47 Ca 0.02 -1.39 -0.05 0.00 -0.01 0.00 0.00 57.16 55.73 2vb5 n GLU 47 Cb 0.48 -2.04 0.09 0.00 -1.01 0.00 0.00 31.44 28.97 2vb5 n GLU 47 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2vb5 n LYS 48 N 2.01 0.38 -2.88 3.49 4.81 -1.26 -5.13 118.16 119.59 2vb5 n LYS 48 Ca 0.44 -1.06 -0.41 0.00 -0.87 0.00 0.00 58.31 56.41 2vb5 n LYS 48 Cb 0.81 -0.51 -0.04 0.00 0.02 0.00 0.00 35.03 35.31 2vb5 n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2vb5 s VAL 49 N 0.19 4.90 0.55 3.15 1.01 -1.25 -4.77 120.40 124.19 2vb5 s VAL 49 Ca 0.24 1.70 0.03 0.00 0.00 0.00 0.00 61.98 63.95 2vb5 s VAL 49 Cb 0.26 -4.16 0.05 0.00 0.00 0.00 0.00 36.38 32.53 2vb5 s VAL 49 CO -0.15 0.09 0.77 -1.61 0.00 0.00 0.00 175.10 174.20 2vb5 s GLU 50 N 1.69 2.44 -0.00 2.72 2.02 -1.20 -4.99 118.70 121.38 2vb5 s GLU 50 Ca 0.41 -1.01 -0.27 0.00 0.02 0.00 0.00 54.97 54.12 2vb5 s GLU 50 Cb -0.18 -2.53 0.06 0.00 0.10 0.00 0.00 34.13 31.59 2vb5 s GLU 50 CO 0.16 -0.76 0.62 -3.38 0.02 0.00 0.00 175.26 171.92 2vb5 s HIS 51 N -2.73 -0.57 -0.42 1.61 -3.43 -1.25 -3.29 115.29 105.20 2vb5 s HIS 51 Ca 0.59 0.85 0.05 0.00 -0.80 0.00 0.00 55.06 55.75 2vb5 s HIS 51 Cb -0.09 0.40 0.43 0.00 -1.43 0.00 0.00 32.58 31.89 2vb5 s HIS 51 CO 0.38 -0.64 1.21 0.43 -2.00 0.00 0.00 174.74 174.13 2vb5 n SER 52 N 0.66 5.03 -1.04 7.38 7.64 -1.24 -4.96 113.62 127.08 2vb5 n SER 52 Ca -0.19 -3.74 0.04 0.00 1.01 0.00 0.00 58.87 56.00 2vb5 n SER 52 Cb 0.59 -0.47 -0.02 0.00 -1.01 0.00 0.00 64.21 63.29 2vb5 n SER 52 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2vb5 n ASP 53 N -0.57 -5.60 -4.57 6.43 -0.08 -1.26 -4.60 116.55 106.30 2vb5 n ASP 53 Ca 0.42 1.18 -0.31 0.00 -1.51 0.00 0.00 54.79 54.57 2vb5 n ASP 53 Cb 0.74 -3.23 -0.05 0.00 2.34 0.00 0.00 41.12 40.92 2vb5 n ASP 53 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2vb5 s LEU 54 N -5.21 3.25 -0.16 -2.67 2.96 -1.26 -4.38 118.68 111.21 2vb5 s LEU 54 Ca 0.00 -1.42 -0.23 0.00 -0.22 0.00 0.00 54.13 52.26 2vb5 s LEU 54 Cb 0.00 -2.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.09 2vb5 s LEU 54 CO 0.00 -2.53 0.73 -0.44 -1.32 0.00 0.00 176.35 172.79 2vb5 s SER 55 N 6.53 6.86 -0.31 3.68 0.01 -1.25 -4.90 113.70 124.32 2vb5 s SER 55 Ca 0.64 1.05 -0.21 0.00 1.31 0.00 0.00 55.95 58.75 2vb5 s SER 55 Cb -0.02 -2.41 -0.01 0.00 0.21 0.00 0.00 66.02 63.80 2vb5 s SER 55 CO 0.05 -0.30 0.65 -0.36 0.41 0.00 0.00 173.24 173.69 2vb5 s PHE 56 N 1.80 3.20 0.89 2.43 0.08 -1.26 -1.57 117.98 123.56 2vb5 s PHE 56 Ca 0.35 0.58 -0.14 0.00 0.12 0.00 0.00 56.93 57.83 2vb5 s PHE 56 Cb -0.16 -3.03 0.14 0.00 -0.57 0.00 0.00 43.02 39.39 2vb5 s PHE 56 CO 0.13 -0.51 1.22 0.45 -0.10 0.00 0.00 175.22 176.41 2vb5 s SER 57 N 1.66 3.72 0.37 1.36 0.15 -0.25 -4.89 113.70 115.81 2vb5 s SER 57 Ca 0.26 0.64 0.06 0.00 0.70 0.00 0.00 55.95 57.61 2vb5 s SER 57 Cb -0.15 -0.98 0.76 0.00 -1.71 0.00 0.00 66.02 63.94 2vb5 s SER 57 CO 0.12 -2.39 1.96 0.07 1.20 0.00 0.00 173.24 174.20 2vb5 h LYS 58 N -1.39 0.71 0.00 5.44 2.10 -1.97 -0.99 116.57 120.46 2vb5 h LYS 58 Ca -0.46 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2vb5 h LYS 58 Cb 1.30 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2vb5 h LYS 58 CO 0.55 0.47 0.00 -0.25 -2.00 0.00 0.00 179.45 178.21 2vb5 n ASP 59 N -4.48 0.46 0.00 7.07 9.92 -1.26 -4.89 116.55 123.36 2vb5 n ASP 59 Ca 0.11 0.58 0.00 0.00 -0.53 0.00 0.00 54.79 54.94 2vb5 n ASP 59 Cb 0.24 -0.69 0.00 0.00 -0.64 0.00 0.00 41.12 40.03 2vb5 n ASP 59 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2vb5 n GLY 60 N 0.64 0.82 3.77 0.44 0.00 -0.38 -5.04 105.19 105.45 2vb5 n GLY 60 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.93 6.49 -1.07 1.61 0.01 -1.26 -4.46 113.70 112.09 2vb5 s SER 61 Ca 0.00 2.92 -0.08 0.00 1.31 0.00 0.00 55.95 60.09 2vb5 s SER 61 Cb 0.00 -2.66 0.27 0.00 0.21 0.00 0.00 66.02 63.84 2vb5 s SER 61 CO 0.00 -0.77 1.06 -0.36 0.41 0.00 0.00 173.24 173.58 2vb5 s PHE 62 N -0.99 4.21 -0.57 2.43 0.40 -1.25 -1.09 117.98 121.11 2vb5 s PHE 62 Ca 0.53 -2.73 -0.18 0.00 -0.60 0.00 0.00 56.93 53.94 2vb5 s PHE 62 Cb -0.44 -3.75 0.10 0.00 0.51 0.00 0.00 43.02 39.44 2vb5 s PHE 62 CO 0.58 -0.92 0.66 1.52 0.70 0.00 0.00 175.22 177.76 2vb5 s TYR 63 N -1.25 3.04 0.30 0.36 -0.85 -0.61 -3.70 117.35 114.65 2vb5 s TYR 63 Ca 0.30 -0.96 0.01 0.00 -0.52 0.00 0.00 57.07 55.90 2vb5 s TYR 63 Cb -0.10 -3.91 -0.03 0.00 0.38 0.00 0.00 41.96 38.30 2vb5 s TYR 63 CO -0.09 -1.22 0.49 -0.51 -1.52 0.00 0.00 175.55 172.70 2vb5 s LEU 64 N 2.50 4.11 -0.47 -3.49 1.43 -1.23 -3.93 118.68 117.60 2vb5 s LEU 64 Ca 0.10 0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.62 2vb5 s LEU 64 Cb -0.24 -3.21 0.12 0.00 0.03 0.00 0.00 46.19 42.89 2vb5 s LEU 64 CO 0.06 -0.21 0.21 -0.22 0.23 0.00 0.00 176.35 176.42 2vb5 s LEU 65 N -4.07 4.42 -1.12 1.79 2.96 -1.26 -3.11 118.68 118.29 2vb5 s LEU 65 Ca 0.39 -2.80 -0.17 0.00 -0.22 0.00 0.00 54.13 51.34 2vb5 s LEU 65 Cb -0.10 -1.64 0.14 0.00 0.50 0.00 0.00 46.19 45.09 2vb5 s LEU 65 CO 0.33 -0.27 1.38 -0.31 -1.32 0.00 0.00 176.35 176.17 2vb5 s TYR 66 N 0.01 3.22 -0.28 5.38 2.02 -0.98 -3.70 117.35 123.02 2vb5 s TYR 66 Ca 0.15 -1.75 -0.09 0.00 -0.37 0.00 0.00 57.07 55.02 2vb5 s TYR 66 Cb -0.24 -4.39 -0.03 0.00 -0.40 0.00 0.00 41.96 36.90 2vb5 s TYR 66 CO -0.02 -1.52 0.13 1.52 -1.57 0.00 0.00 175.55 174.09 2vb5 s TYR 67 N 2.52 3.15 0.11 2.71 -0.85 -1.21 -2.64 117.35 121.14 2vb5 s TYR 67 Ca 0.41 -0.32 0.00 0.00 -0.52 0.00 0.00 57.07 56.65 2vb5 s TYR 67 Cb -0.02 -2.31 -0.04 0.00 0.38 0.00 0.00 41.96 39.97 2vb5 s TYR 67 CO -0.03 -0.34 0.26 -0.08 -1.52 0.00 0.00 175.55 173.85 2vb5 s THR 68 N 1.65 5.33 -0.93 -3.49 -1.32 -1.15 -3.25 115.64 112.49 2vb5 s THR 68 Ca 0.06 -0.46 -0.20 0.00 -1.21 0.00 0.00 61.69 59.87 2vb5 s THR 68 Cb -0.16 -3.68 0.10 0.00 -1.51 0.00 0.00 72.50 67.25 2vb5 s THR 68 CO 0.06 0.02 1.21 -0.70 -2.21 0.00 0.00 174.62 173.01 2vb5 s GLU 69 N -2.85 3.55 -0.06 7.08 2.56 -1.26 -1.57 118.70 126.14 2vb5 s GLU 69 Ca 0.36 -1.46 -0.11 0.00 0.00 0.00 0.00 54.97 53.76 2vb5 s GLU 69 Cb -0.12 -4.98 -0.05 0.00 2.00 0.00 0.00 34.13 30.99 2vb5 s GLU 69 CO 0.28 -1.91 0.27 -0.59 -0.56 0.00 0.00 175.26 172.75 2vb5 s PHE 70 N 3.54 3.66 -0.68 5.30 -0.71 -0.35 -4.91 117.98 123.84 2vb5 s PHE 70 Ca 0.36 0.75 -0.15 0.00 -1.04 0.00 0.00 56.93 56.85 2vb5 s PHE 70 Cb -0.04 -2.11 0.17 0.00 -1.21 0.00 0.00 43.02 39.82 2vb5 s PHE 70 CO -0.08 0.69 0.65 0.99 -1.34 0.00 0.00 175.22 176.14 2vb5 s THR 71 N -1.04 5.36 -0.84 -4.49 2.01 -1.26 -1.21 115.64 114.16 2vb5 s THR 71 Ca 0.19 -1.92 -0.25 0.00 0.31 0.00 0.00 61.69 60.02 2vb5 s THR 71 Cb -0.14 -4.42 -0.10 0.00 0.01 0.00 0.00 72.50 67.85 2vb5 s THR 71 CO 0.09 -0.97 2.20 -2.16 -0.69 0.00 0.00 174.62 173.08 2vb5 s PRO 72 N 1.04 2.01 0.30 4.92 0.04 -1.22 -4.87 135.00 137.22 2vb5 s PRO 72 Ca 0.11 0.13 -0.27 0.00 0.04 0.00 0.00 61.00 61.01 2vb5 s PRO 72 Cb -0.20 -4.91 -0.10 0.00 0.04 0.00 0.00 34.50 29.33 2vb5 s PRO 72 CO -0.03 -4.00 0.97 0.99 0.04 0.00 0.00 177.00 174.97 2vb5 s THR 73 N 12.77 4.07 -1.45 1.26 2.01 -1.26 -1.85 115.64 131.19 2vb5 s THR 73 Ca 0.83 1.83 -0.13 0.00 0.31 0.00 0.00 61.69 64.53 2vb5 s THR 73 Cb -0.10 -4.07 0.05 0.00 0.01 0.00 0.00 72.50 68.39 2vb5 s THR 73 CO 0.04 0.25 2.24 1.21 -0.69 0.00 0.00 174.62 177.68 2vb5 n GLU 74 N 0.82 3.05 0.00 4.92 4.07 -1.26 -2.87 120.64 129.38 2vb5 n GLU 74 Ca 0.01 -2.71 0.00 0.00 -0.06 0.00 0.00 57.16 54.40 2vb5 n GLU 74 Cb 0.49 -3.19 0.00 0.00 -0.06 0.00 0.00 31.44 28.68 2vb5 n GLU 74 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2vb5 n LYS 75 N 5.52 0.00 -1.75 5.31 3.00 -1.26 -5.12 118.16 123.85 2vb5 n LYS 75 Ca 0.53 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.53 2vb5 n LYS 75 Cb 0.37 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.44 2vb5 n LYS 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2vb5 s ASP 76 N -1.24 5.68 -0.02 3.14 1.01 -1.14 -5.10 116.67 119.00 2vb5 s ASP 76 Ca 0.00 1.42 0.01 0.00 0.71 0.00 0.00 52.55 54.69 2vb5 s ASP 76 Cb 0.00 -2.34 0.01 0.00 1.01 0.00 0.00 42.92 41.59 2vb5 s ASP 76 CO 0.00 -1.23 -0.05 -1.83 0.21 0.00 0.00 175.17 172.28 2vb5 s GLU 77 N -5.17 0.54 -0.08 8.23 -1.05 -1.26 -4.87 118.70 115.04 2vb5 s GLU 77 Ca 0.57 -0.14 0.01 0.00 -0.15 0.00 0.00 54.97 55.26 2vb5 s GLU 77 Cb -0.12 -0.56 -0.03 0.00 -0.44 0.00 0.00 34.13 32.98 2vb5 s GLU 77 CO 0.54 0.04 -0.09 0.71 0.95 0.00 0.00 175.26 177.40 2vb5 s TYR 78 N 0.30 2.88 -0.15 4.83 1.51 -1.26 -1.00 117.35 124.45 2vb5 s TYR 78 Ca -0.03 -0.15 -0.07 0.00 -1.01 0.00 0.00 57.07 55.81 2vb5 s TYR 78 Cb -0.07 -1.74 0.06 0.00 -0.11 0.00 0.00 41.96 40.10 2vb5 s TYR 78 CO -0.00 0.18 0.34 0.00 -1.11 0.00 0.00 175.55 174.96 2vb5 s ALA 79 N -0.50 -0.85 -0.33 3.71 0.00 -1.14 -2.52 121.76 120.13 2vb5 s ALA 79 Ca 0.07 1.27 -0.22 0.00 0.00 0.00 0.00 51.96 53.08 2vb5 s ALA 79 Cb -0.12 -0.96 -0.00 0.00 0.00 0.00 0.00 23.12 22.04 2vb5 s ALA 79 CO 0.02 -0.43 0.70 0.00 0.00 0.00 0.00 175.76 176.04 2vb5 s ARG 81 N 2.80 3.49 -0.52 0.00 3.52 -1.26 -1.33 118.95 125.66 2vb5 s ARG 81 Ca 0.28 -1.80 -0.17 0.00 -0.13 0.00 0.00 55.73 53.91 2vb5 s ARG 81 Cb -0.14 -4.67 0.08 0.00 -1.56 0.00 0.00 34.95 28.66 2vb5 s ARG 81 CO 0.13 -1.64 0.55 0.08 -0.81 0.00 0.00 175.30 173.62 2vb5 s VAL 82 N 2.21 5.02 0.12 7.11 1.01 -0.82 -1.68 120.40 133.37 2vb5 s VAL 82 Ca 0.26 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.38 2vb5 s VAL 82 Cb -0.09 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2vb5 s VAL 82 CO -0.06 -0.80 0.12 0.20 0.00 0.00 0.00 175.10 174.56 2vb5 s ASN 83 N 2.95 5.61 0.26 3.32 0.01 -0.85 -2.02 114.94 124.22 2vb5 s ASN 83 Ca 0.09 -0.04 -0.18 0.00 -0.71 0.00 0.00 52.86 52.03 2vb5 s ASN 83 Cb -0.23 -1.51 0.01 0.00 0.41 0.00 0.00 41.25 39.93 2vb5 s ASN 83 CO 0.08 0.12 0.61 -2.28 -1.51 0.00 0.00 177.10 174.13 2vb5 s HIS 84 N -1.56 0.00 0.48 2.20 2.46 -1.25 -1.59 115.29 116.03 2vb5 s HIS 84 Ca 0.30 -0.41 0.14 0.00 0.47 0.00 0.00 55.06 55.57 2vb5 s HIS 84 Cb -0.11 0.49 1.12 0.00 -0.13 0.00 0.00 32.58 33.96 2vb5 s HIS 84 CO 0.23 -1.11 2.08 0.28 -2.47 0.00 0.00 174.74 173.75 2vb5 h VAL 85 N 2.11 1.06 0.15 0.89 2.07 -1.96 -2.85 116.25 117.72 2vb5 h VAL 85 Ca -0.23 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2vb5 h VAL 85 Cb 1.25 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2vb5 h VAL 85 CO 0.29 0.08 -0.07 0.71 0.02 0.00 0.00 177.57 178.60 2vb5 h THR 86 N 0.06 0.96 -1.69 2.57 1.35 -1.91 -3.41 112.91 110.84 2vb5 h THR 86 Ca 0.01 -1.06 -0.58 0.00 -0.55 0.00 0.00 66.41 64.23 2vb5 h THR 86 Cb 0.12 1.56 -0.10 0.00 -1.73 0.00 0.00 68.15 68.00 2vb5 h THR 86 CO 0.01 0.23 1.27 -0.76 -0.25 0.00 0.00 175.52 176.01 2vb5 s LEU 87 N -9.12 3.49 0.27 3.87 1.43 -1.08 -4.85 118.68 112.69 2vb5 s LEU 87 Ca -0.14 -1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 51.85 2vb5 s LEU 87 Cb 0.01 -2.55 0.48 0.00 0.03 0.00 0.00 46.19 44.16 2vb5 s LEU 87 CO 0.54 -1.61 1.82 0.28 0.23 0.00 0.00 176.35 177.62 2vb5 h SER 88 N 9.83 0.82 -3.51 2.29 0.02 -1.80 -3.31 113.55 117.88 2vb5 h SER 88 Ca 0.00 0.05 -0.53 0.00 -0.84 0.00 0.00 61.79 60.47 2vb5 h SER 88 Cb 1.03 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.43 2vb5 h SER 88 CO 1.35 0.45 -0.06 0.00 -1.14 0.00 0.00 176.83 177.42 2vb5 s GLN 89 N -5.99 3.85 -0.26 3.45 1.03 -1.26 -5.02 119.66 115.46 2vb5 s GLN 89 Ca -0.12 0.37 -0.29 0.00 0.04 0.00 0.00 55.36 55.36 2vb5 s GLN 89 Cb 0.21 -2.59 -0.00 0.00 0.03 0.00 0.00 33.01 30.65 2vb5 s GLN 89 CO 0.80 0.28 1.29 -1.25 -2.54 0.00 0.00 175.29 173.86 2vb5 s PRO 90 N -2.86 4.00 -1.01 9.60 0.04 -1.26 -4.79 135.00 138.72 2vb5 s PRO 90 Ca 0.49 1.35 -0.21 0.00 0.04 0.00 0.00 61.00 62.67 2vb5 s PRO 90 Cb -0.11 -3.85 0.07 0.00 0.04 0.00 0.00 34.50 30.66 2vb5 s PRO 90 CO 0.20 -1.01 1.38 0.21 0.04 0.00 0.00 177.00 177.82 2vb5 s LYS 91 N 3.98 3.62 -0.49 4.56 2.36 -0.85 -4.88 119.74 128.03 2vb5 s LYS 91 Ca 0.56 -1.35 -0.28 0.00 -2.55 0.00 0.00 55.97 52.35 2vb5 s LYS 91 Cb -0.18 -5.25 -0.00 0.00 -1.05 0.00 0.00 37.83 31.35 2vb5 s LYS 91 CO 0.20 -2.09 1.63 0.42 1.55 0.00 0.00 175.35 177.06 2vb5 s ILE 92 N 4.28 3.61 0.43 5.43 -1.09 -1.26 -1.95 121.20 130.66 2vb5 s ILE 92 Ca 0.43 0.54 -0.21 0.00 -2.23 0.00 0.00 60.65 59.18 2vb5 s ILE 92 Cb -0.01 -4.07 -0.11 0.00 -1.58 0.00 0.00 42.46 36.69 2vb5 s ILE 92 CO -0.09 -0.84 0.95 -0.69 -1.23 0.00 0.00 174.94 173.04 2vb5 s VAL 93 N 6.93 4.40 -0.37 2.92 1.01 -0.44 -4.95 120.40 129.91 2vb5 s VAL 93 Ca 0.65 1.47 -0.09 0.00 0.00 0.00 0.00 61.98 64.00 2vb5 s VAL 93 Cb -0.15 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.66 2vb5 s VAL 93 CO 0.27 -0.34 0.18 -0.54 0.00 0.00 0.00 175.10 174.67 2vb5 s LYS 94 N -3.22 2.72 -0.18 2.72 1.02 -1.26 -3.67 119.74 117.87 2vb5 s LYS 94 Ca 0.62 -1.16 -0.37 0.00 0.02 0.00 0.00 55.97 55.08 2vb5 s LYS 94 Cb -0.09 -3.64 -0.14 0.00 -0.52 0.00 0.00 37.83 33.44 2vb5 s LYS 94 CO 0.14 -0.72 1.82 1.87 -0.92 0.00 0.00 175.35 177.54 2vb5 n TRP 95 N 4.92 2.20 -2.66 3.18 -0.00 -1.05 -4.87 117.44 119.17 2vb5 n TRP 95 Ca -0.12 0.25 -0.42 0.00 -0.00 0.00 0.00 57.50 57.21 2vb5 n TRP 95 Cb 0.45 -2.57 -0.02 0.00 -0.00 0.00 0.00 31.31 29.18 2vb5 n TRP 95 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2vb5 s ASP 96 N 3.85 6.69 0.10 5.87 1.01 -1.24 -4.83 116.67 128.13 2vb5 s ASP 96 Ca 0.96 -2.03 -0.10 0.00 0.71 0.00 0.00 52.55 52.08 2vb5 s ASP 96 Cb -0.87 -2.53 -0.15 0.00 1.01 0.00 0.00 42.92 40.38 2vb5 s ASP 96 CO 0.58 -1.25 1.27 0.08 0.21 0.00 0.00 175.17 176.06 2vb5 h ARG 97 N 8.64 0.62 0.21 8.23 0.11 -1.90 -3.30 114.38 127.00 2vb5 h ARG 97 Ca 0.29 -0.62 -0.01 0.00 0.10 0.00 0.00 59.98 59.74 2vb5 h ARG 97 Cb 0.95 0.16 0.00 0.00 1.11 0.00 0.00 29.97 32.19 2vb5 h ARG 97 CO 1.37 1.22 -0.10 0.22 0.10 0.00 0.00 179.97 182.78 2vb5 h ASP 98 N 0.38 -0.24 -0.02 0.08 3.58 -2.02 -3.47 116.42 114.70 2vb5 h ASP 98 Ca -0.09 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.18 2vb5 h ASP 98 Cb 1.57 0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.68 2vb5 h ASP 98 CO 0.18 0.05 0.00 0.80 -2.88 0.00 0.00 179.24 177.39