#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 -0.04 -1.13 1.12 2.07 -1.26 -5.09 121.20 116.86 2vb5 s ILE 1 Ca 0.00 0.06 -0.05 0.00 -1.41 0.00 0.00 60.65 59.26 2vb5 s ILE 1 Cb 0.00 -0.75 0.26 0.00 0.13 0.00 0.00 42.46 42.11 2vb5 s ILE 1 CO 0.00 0.03 1.72 0.00 -1.91 0.00 0.00 174.94 174.78 2vb5 n GLN 2 N 4.33 4.51 -2.49 3.50 6.02 -1.26 -4.49 117.38 127.50 2vb5 n GLN 2 Ca -0.22 -4.26 -0.40 0.00 -0.01 0.00 0.00 57.00 52.11 2vb5 n GLN 2 Cb 0.56 -2.60 -0.04 0.00 1.02 0.00 0.00 30.24 29.18 2vb5 n GLN 2 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2vb5 s ARG 3 N -2.29 4.64 0.36 -1.09 1.81 -1.16 -4.93 118.95 116.28 2vb5 s ARG 3 Ca 0.36 1.78 -0.02 0.00 -1.72 0.00 0.00 55.73 56.14 2vb5 s ARG 3 Cb 0.10 -3.21 -0.04 0.00 -0.45 0.00 0.00 34.95 31.35 2vb5 s ARG 3 CO 0.02 0.19 0.59 0.95 -0.68 0.00 0.00 175.30 176.38 2vb5 s THR 4 N -0.97 5.05 0.12 0.02 -4.23 -1.26 -1.25 115.64 113.13 2vb5 s THR 4 Ca 0.45 -0.23 -0.31 0.00 -1.18 0.00 0.00 61.69 60.42 2vb5 s THR 4 Cb -0.31 -3.84 -0.10 0.00 1.34 0.00 0.00 72.50 69.60 2vb5 s THR 4 CO 0.39 -0.56 1.69 -2.16 -0.54 0.00 0.00 174.62 173.44 2vb5 s PRO 5 N -4.23 4.18 -0.09 3.99 0.04 -1.26 -4.09 135.00 133.53 2vb5 s PRO 5 Ca 0.42 2.43 -0.30 0.00 0.04 0.00 0.00 61.00 63.60 2vb5 s PRO 5 Cb -0.10 -3.45 -0.02 0.00 0.04 0.00 0.00 34.50 30.97 2vb5 s PRO 5 CO 0.36 -0.74 1.13 0.21 0.04 0.00 0.00 177.00 178.01 2vb5 s LYS 6 N 2.21 4.36 -0.30 4.56 2.20 -0.30 -4.94 119.74 127.54 2vb5 s LYS 6 Ca 0.75 1.56 -0.16 0.00 -0.36 0.00 0.00 55.97 57.76 2vb5 s LYS 6 Cb -0.43 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.29 2vb5 s LYS 6 CO 0.33 -0.43 0.43 0.42 -0.36 0.00 0.00 175.35 175.74 2vb5 s ILE 7 N 2.29 5.12 -0.41 5.43 1.09 -1.26 -3.10 121.20 130.35 2vb5 s ILE 7 Ca 0.53 0.49 0.05 0.00 -1.10 0.00 0.00 60.65 60.62 2vb5 s ILE 7 Cb -0.22 -3.80 0.20 0.00 -1.06 0.00 0.00 42.46 37.58 2vb5 s ILE 7 CO 0.19 0.02 0.44 0.00 -0.10 0.00 0.00 174.94 175.49 2vb5 n GLN 8 N 5.48 0.38 -3.18 2.79 6.02 -1.23 -5.06 117.38 122.58 2vb5 n GLN 8 Ca -0.07 -3.06 -0.45 0.00 -0.01 0.00 0.00 57.00 53.41 2vb5 n GLN 8 Cb 0.50 -1.51 -0.04 0.00 1.02 0.00 0.00 30.24 30.21 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 -0.24 5.05 0.25 5.09 1.01 -1.26 -1.93 120.40 128.37 2vb5 s VAL 9 Ca 0.33 -1.45 0.10 0.00 0.00 0.00 0.00 61.98 60.97 2vb5 s VAL 9 Cb 0.08 -4.48 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 2vb5 s VAL 9 CO -0.16 -1.08 -0.10 -0.72 0.00 0.00 0.00 175.10 173.03 2vb5 s TYR 10 N 1.96 2.52 -0.57 5.22 1.13 -0.83 -3.78 117.35 122.98 2vb5 s TYR 10 Ca 0.13 -0.27 -0.27 0.00 -1.41 0.00 0.00 57.07 55.25 2vb5 s TYR 10 Cb -0.21 -1.13 0.03 0.00 -1.10 0.00 0.00 41.96 39.55 2vb5 s TYR 10 CO 0.01 0.63 1.11 -1.12 -2.51 0.00 0.00 175.55 173.67 2vb5 s SER 11 N -3.40 6.41 -0.02 -0.18 0.01 -1.26 -2.19 113.70 113.07 2vb5 s SER 11 Ca 0.29 -0.05 -0.16 0.00 1.31 0.00 0.00 55.95 57.35 2vb5 s SER 11 Cb -0.06 -2.52 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 2vb5 s SER 11 CO 0.17 -1.40 0.72 -0.09 0.41 0.00 0.00 173.24 173.04 2vb5 h ARG 12 N 9.47 -0.55 -6.76 12.44 9.65 -1.93 -3.44 114.38 133.26 2vb5 h ARG 12 Ca -0.25 0.04 -0.50 0.00 -1.10 0.00 0.00 59.98 58.16 2vb5 h ARG 12 Cb 1.06 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 2vb5 h ARG 12 CO 1.16 -0.36 0.06 -1.01 2.80 0.00 0.00 179.97 182.61 2vb5 s HIS 13 N -3.44 3.47 0.33 2.20 3.76 -1.26 -5.01 115.29 115.34 2vb5 s HIS 13 Ca -0.08 0.95 -0.29 0.00 -0.15 0.00 0.00 55.06 55.49 2vb5 s HIS 13 Cb 0.01 -2.36 -0.10 0.00 1.11 0.00 0.00 32.58 31.24 2vb5 s HIS 13 CO 0.25 -0.04 1.26 -1.25 -0.85 0.00 0.00 174.74 174.10 2vb5 s PRO 14 N -3.79 4.38 -1.60 8.40 0.04 -1.26 -4.87 135.00 136.30 2vb5 s PRO 14 Ca 0.49 2.11 -0.10 0.00 0.04 0.00 0.00 61.00 63.54 2vb5 s PRO 14 Cb -0.10 -3.06 -0.08 0.00 0.04 0.00 0.00 34.50 31.30 2vb5 s PRO 14 CO 0.31 -0.13 2.88 0.00 0.04 0.00 0.00 177.00 180.11 2vb5 n ALA 15 N 0.81 7.33 -2.57 8.56 0.00 -0.57 -4.92 120.51 129.16 2vb5 n ALA 15 Ca 0.00 -3.52 -0.40 0.00 0.00 0.00 0.00 53.44 49.52 2vb5 n ALA 15 Cb 0.43 -3.39 -0.05 0.00 0.00 0.00 0.00 19.45 16.44 2vb5 n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2vb5 s GLU 16 N 2.30 4.46 -0.06 0.00 -6.30 -1.26 -4.97 118.70 112.86 2vb5 s GLU 16 Ca 0.67 0.99 -0.32 0.00 -2.50 0.00 0.00 54.97 53.81 2vb5 s GLU 16 Cb 0.17 -3.41 -0.10 0.00 0.00 0.00 0.00 34.13 30.80 2vb5 s GLU 16 CO -0.06 0.17 1.96 -1.71 0.02 0.00 0.00 175.26 175.64 2vb5 n ASN 17 N 3.31 3.67 -2.61 -1.70 2.85 -1.26 -3.19 115.26 116.33 2vb5 n ASN 17 Ca -0.01 0.86 -0.10 0.00 -0.11 0.00 0.00 54.58 55.22 2vb5 n ASN 17 Cb 0.51 -1.44 0.05 0.00 1.24 0.00 0.00 39.78 40.13 2vb5 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2vb5 n GLY 18 N 4.66 -0.39 3.42 8.20 0.00 -0.47 -5.01 105.19 115.60 2vb5 n GLY 18 Ca 0.23 0.26 -0.09 0.00 0.00 0.00 0.00 46.02 46.42 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 -3.93 0.52 0.11 1.61 2.36 -1.19 -5.01 119.74 114.20 2vb5 s LYS 19 Ca 0.28 0.96 -0.31 0.00 -2.55 0.00 0.00 55.97 54.35 2vb5 s LYS 19 Cb -0.04 0.04 -0.08 0.00 -1.05 0.00 0.00 37.83 36.70 2vb5 s LYS 19 CO 0.47 -0.16 1.44 0.45 1.55 0.00 0.00 175.35 179.11 2vb5 s SER 20 N 1.50 6.77 0.28 1.43 0.15 -1.26 -4.30 113.70 118.27 2vb5 s SER 20 Ca -0.10 2.36 0.05 0.00 0.70 0.00 0.00 55.95 58.96 2vb5 s SER 20 Cb -0.07 -2.58 -0.06 0.00 -1.71 0.00 0.00 66.02 61.60 2vb5 s SER 20 CO -0.16 -0.71 0.01 0.20 1.20 0.00 0.00 173.24 173.78 2vb5 s ASN 21 N 1.30 2.32 -0.22 5.45 -0.87 -0.28 -5.00 114.94 117.64 2vb5 s ASN 21 Ca 0.66 -1.27 -0.03 0.00 -1.57 0.00 0.00 52.86 50.65 2vb5 s ASN 21 Cb -0.38 -0.08 -0.00 0.00 -0.02 0.00 0.00 41.25 40.77 2vb5 s ASN 21 CO 0.30 -0.50 -0.06 -0.36 -2.57 0.00 0.00 177.10 173.91 2vb5 s PHE 22 N -3.25 2.95 -0.77 2.20 0.08 -1.26 -0.76 117.98 117.17 2vb5 s PHE 22 Ca 0.32 -1.07 -0.24 0.00 0.12 0.00 0.00 56.93 56.06 2vb5 s PHE 22 Cb 0.06 -2.08 0.06 0.00 -0.57 0.00 0.00 43.02 40.49 2vb5 s PHE 22 CO 0.12 -0.59 1.18 -1.17 -0.10 0.00 0.00 175.22 174.66 2vb5 s LEU 23 N 1.45 3.80 -1.11 -0.37 2.96 -0.48 -3.15 118.68 121.78 2vb5 s LEU 23 Ca 0.05 -0.93 -0.15 0.00 -0.22 0.00 0.00 54.13 52.89 2vb5 s LEU 23 Cb -0.14 -2.50 0.17 0.00 0.50 0.00 0.00 46.19 44.22 2vb5 s LEU 23 CO -0.04 -1.59 1.30 0.20 -1.32 0.00 0.00 176.35 174.90 2vb5 s ASN 24 N 3.89 6.98 -0.97 3.68 0.02 -0.93 -3.72 114.94 123.88 2vb5 s ASN 24 Ca 0.32 -2.81 -0.23 0.00 -1.02 0.00 0.00 52.86 49.12 2vb5 s ASN 24 Cb -0.10 -2.37 0.05 0.00 0.02 0.00 0.00 41.25 38.86 2vb5 s ASN 24 CO 0.08 -0.77 1.40 0.00 0.02 0.00 0.00 177.10 177.82 2vb5 s TYR 26 N 4.87 2.92 -0.75 0.00 6.14 -0.81 -1.39 117.35 128.33 2vb5 s TYR 26 Ca 0.43 -1.06 -0.13 0.00 0.64 0.00 0.00 57.07 56.96 2vb5 s TYR 26 Cb -0.02 -4.32 0.19 0.00 0.42 0.00 0.00 41.96 38.24 2vb5 s TYR 26 CO -0.07 -1.58 0.67 0.08 0.64 0.00 0.00 175.55 175.29 2vb5 s VAL 27 N 3.35 5.28 0.01 3.14 1.01 -0.88 -3.52 120.40 128.79 2vb5 s VAL 27 Ca 0.30 -2.35 0.04 0.00 0.00 0.00 0.00 61.98 59.97 2vb5 s VAL 27 Cb -0.09 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 2vb5 s VAL 27 CO -0.03 -0.98 -0.09 -0.94 0.00 0.00 0.00 175.10 173.06 2vb5 s SER 28 N 2.24 4.44 0.00 3.32 1.04 -1.18 -3.36 113.70 120.20 2vb5 s SER 28 Ca 0.15 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2vb5 s SER 28 Cb -0.15 -0.98 0.00 0.00 0.10 0.00 0.00 66.02 64.99 2vb5 s SER 28 CO -0.06 0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.05 2vb5 n GLY 29 N 1.60 0.39 3.55 7.32 0.00 -1.22 -1.15 105.19 115.69 2vb5 n GLY 29 Ca -0.16 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.02 3.14 -0.14 1.61 -0.71 -1.26 -4.10 117.98 114.51 2vb5 s PHE 30 Ca 0.00 0.19 0.02 0.00 -1.04 0.00 0.00 56.93 56.10 2vb5 s PHE 30 Cb 0.00 -3.12 0.01 0.00 -1.21 0.00 0.00 43.02 38.70 2vb5 s PHE 30 CO 0.00 -0.66 -0.20 -1.58 -1.34 0.00 0.00 175.22 171.44 2vb5 s HIS 31 N 2.63 2.48 0.00 3.49 2.46 -0.38 -4.20 115.29 121.77 2vb5 s HIS 31 Ca 0.22 -1.26 0.00 0.00 0.47 0.00 0.00 55.06 54.49 2vb5 s HIS 31 Cb -0.15 -1.71 0.00 0.00 -0.13 0.00 0.00 32.58 30.59 2vb5 s HIS 31 CO 0.15 -0.60 0.00 -0.35 -2.47 0.00 0.00 174.74 171.47 2vb5 n PRO 32 N 4.20 -0.17 -0.05 2.88 -0.04 -1.26 -3.00 135.00 137.55 2vb5 n PRO 32 Ca -0.20 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.30 2vb5 n PRO 32 Cb 0.51 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.11 2vb5 n PRO 32 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2vb5 n SER 33 N -2.75 0.55 -3.31 3.54 2.88 -1.26 -4.65 113.62 108.62 2vb5 n SER 33 Ca 0.00 -1.90 -0.38 0.00 -1.33 0.00 0.00 58.87 55.26 2vb5 n SER 33 Cb 0.00 -0.06 -0.02 0.00 -0.75 0.00 0.00 64.21 63.37 2vb5 n SER 33 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2vb5 n ASP 34 N -0.24 8.14 -4.95 -3.46 8.00 -1.26 -4.93 116.55 117.84 2vb5 n ASP 34 Ca 0.06 -2.92 -0.24 0.00 0.71 0.00 0.00 54.79 52.40 2vb5 n ASP 34 Cb 0.10 -1.43 -0.03 0.00 -0.02 0.00 0.00 41.12 39.75 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 0.04 5.28 -0.37 0.53 2.07 -1.26 -3.75 121.20 123.74 2vb5 s ILE 35 Ca 0.60 -0.80 0.02 0.00 -1.41 0.00 0.00 60.65 59.06 2vb5 s ILE 35 Cb 0.20 -3.80 0.15 0.00 0.13 0.00 0.00 42.46 39.14 2vb5 s ILE 35 CO -0.09 -0.22 0.26 -1.61 -1.91 0.00 0.00 174.94 171.38 2vb5 s GLU 36 N -3.60 0.68 -1.28 3.50 2.02 -0.31 -5.01 118.70 114.69 2vb5 s GLU 36 Ca 0.35 -1.62 -0.17 0.00 0.02 0.00 0.00 54.97 53.55 2vb5 s GLU 36 Cb -0.10 -1.33 0.09 0.00 0.10 0.00 0.00 34.13 32.89 2vb5 s GLU 36 CO 0.29 -1.28 1.69 0.28 0.02 0.00 0.00 175.26 176.25 2vb5 n VAL 37 N 3.58 4.01 -1.81 2.63 0.31 -1.26 -2.50 118.33 123.29 2vb5 n VAL 37 Ca 0.19 -4.22 -0.36 0.00 -0.01 0.00 0.00 64.34 59.94 2vb5 n VAL 37 Cb 0.41 -2.38 -0.02 0.00 -0.91 0.00 0.00 33.84 30.94 2vb5 n VAL 37 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2vb5 n ASP 38 N 7.79 7.59 -4.68 4.52 2.03 -1.05 -4.86 116.55 127.90 2vb5 n ASP 38 Ca 0.47 -3.12 -0.37 0.00 0.52 0.00 0.00 54.79 52.28 2vb5 n ASP 38 Cb 0.45 -1.34 0.06 0.00 -0.72 0.00 0.00 41.12 39.58 2vb5 n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2vb5 n LEU 39 N 1.58 5.06 -4.45 -2.67 -0.00 -1.26 -4.40 117.00 110.86 2vb5 n LEU 39 Ca 0.59 0.81 -0.22 0.00 -0.00 0.00 0.00 56.01 57.19 2vb5 n LEU 39 Cb 0.34 -1.48 -0.10 0.00 -0.00 0.00 0.00 43.42 42.18 2vb5 n LEU 39 CO 0.58 -1.39 -0.35 -0.76 -0.00 0.00 0.00 177.39 175.48 2vb5 s LEU 40 N -3.41 2.49 -0.35 1.47 1.43 -0.66 -2.66 118.68 116.99 2vb5 s LEU 40 Ca 0.80 -1.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 2vb5 s LEU 40 Cb -0.39 -0.65 0.13 0.00 0.03 0.00 0.00 46.19 45.31 2vb5 s LEU 40 CO 0.43 -0.37 0.19 -1.59 0.23 0.00 0.00 176.35 175.23 2vb5 s LYS 41 N -3.74 0.61 -1.12 1.70 -2.85 -0.74 -3.30 119.74 110.31 2vb5 s LYS 41 Ca 0.31 -1.24 -0.10 0.00 -1.00 0.00 0.00 55.97 53.94 2vb5 s LYS 41 Cb 0.05 -1.51 -0.04 0.00 -2.06 0.00 0.00 37.83 34.27 2vb5 s LYS 41 CO 0.13 -1.14 0.86 -1.71 0.10 0.00 0.00 175.35 173.59 2vb5 n ASN 42 N 4.31 -5.35 0.00 0.03 5.15 -0.80 -2.87 115.26 115.73 2vb5 n ASN 42 Ca 0.06 -0.83 0.00 0.00 -0.60 0.00 0.00 54.58 53.21 2vb5 n ASN 42 Cb 0.38 -4.43 0.00 0.00 -0.53 0.00 0.00 39.78 35.20 2vb5 n ASN 42 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2vb5 n GLY 43 N -1.42 2.29 3.64 8.20 0.00 -1.26 -4.98 105.19 111.66 2vb5 n GLY 43 Ca -0.11 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 3.95 0.23 1.61 2.02 -1.14 -4.97 118.70 120.40 2vb5 s GLU 44 Ca 0.00 1.74 -0.30 0.00 0.02 0.00 0.00 54.97 56.43 2vb5 s GLU 44 Cb 0.00 -3.98 -0.10 0.00 0.10 0.00 0.00 34.13 30.16 2vb5 s GLU 44 CO 0.00 -1.11 1.42 1.03 0.02 0.00 0.00 175.26 176.62 2vb5 s ARG 45 N 4.34 4.29 -0.44 1.61 0.52 -1.26 -1.79 118.95 126.22 2vb5 s ARG 45 Ca 0.68 2.25 -0.19 0.00 -0.52 0.00 0.00 55.73 57.96 2vb5 s ARG 45 Cb -0.26 -3.13 0.03 0.00 0.52 0.00 0.00 34.95 32.11 2vb5 s ARG 45 CO 0.27 -0.40 0.55 0.42 0.02 0.00 0.00 175.30 176.16 2vb5 s ILE 46 N 0.10 4.94 0.07 1.52 1.01 -1.09 -4.95 121.20 122.81 2vb5 s ILE 46 Ca 0.59 -0.14 -0.14 0.00 0.00 0.00 0.00 60.65 60.97 2vb5 s ILE 46 Cb -0.41 -4.15 -0.24 0.00 0.01 0.00 0.00 42.46 37.67 2vb5 s ILE 46 CO 0.41 -0.54 1.18 -0.33 0.00 0.00 0.00 174.94 175.65 2vb5 h GLU 47 N 8.83 0.70 -4.15 2.79 3.07 -1.94 -3.39 114.58 120.49 2vb5 h GLU 47 Ca -0.26 -0.78 -0.72 0.00 -0.50 0.00 0.00 59.36 57.10 2vb5 h GLU 47 Cb 1.10 0.23 -0.09 0.00 -0.84 0.00 0.00 28.75 29.15 2vb5 h GLU 47 CO 0.86 1.34 2.57 1.63 -1.40 0.00 0.00 179.01 184.01 2vb5 n LYS 48 N -3.85 3.16 -3.06 2.33 5.02 -1.26 -4.96 118.16 115.54 2vb5 n LYS 48 Ca -0.12 -3.05 -0.40 0.00 -2.02 0.00 0.00 58.31 52.73 2vb5 n LYS 48 Cb 0.90 -3.19 -0.05 0.00 -0.02 0.00 0.00 35.03 32.67 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 2.40 5.00 0.54 -0.18 1.01 -1.26 -4.87 120.40 123.05 2vb5 s VAL 49 Ca 0.45 1.43 0.02 0.00 0.00 0.00 0.00 61.98 63.89 2vb5 s VAL 49 Cb 0.10 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.49 2vb5 s VAL 49 CO -0.03 0.28 0.76 -1.61 0.00 0.00 0.00 175.10 174.50 2vb5 s GLU 50 N 0.60 2.51 -0.10 2.72 0.41 -1.26 -5.03 118.70 118.55 2vb5 s GLU 50 Ca 0.37 -0.90 -0.32 0.00 -0.41 0.00 0.00 54.97 53.71 2vb5 s GLU 50 Cb -0.18 -2.52 0.12 0.00 -1.78 0.00 0.00 34.13 29.77 2vb5 s GLU 50 CO 0.18 -0.71 1.04 -3.38 -0.49 0.00 0.00 175.26 171.91 2vb5 s HIS 51 N -2.73 -0.24 0.00 1.61 -3.43 -1.10 -4.29 115.29 105.11 2vb5 s HIS 51 Ca 0.58 0.17 0.00 0.00 -0.80 0.00 0.00 55.06 55.01 2vb5 s HIS 51 Cb -0.10 0.52 0.00 0.00 -1.43 0.00 0.00 32.58 31.57 2vb5 s HIS 51 CO 0.38 -0.37 0.00 0.43 -2.00 0.00 0.00 174.74 173.18 2vb5 n SER 52 N -0.12 0.00 -0.47 7.38 7.64 -1.23 -4.82 113.62 122.00 2vb5 n SER 52 Ca -0.04 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.82 2vb5 n SER 52 Cb 0.60 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.79 2vb5 n SER 52 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2vb5 n ASP 53 N 0.00 -0.16 -3.13 6.43 5.68 -1.26 -5.03 116.55 119.08 2vb5 n ASP 53 Ca 0.00 -0.86 -0.15 0.00 -0.50 0.00 0.00 54.79 53.28 2vb5 n ASP 53 Cb 0.00 0.05 0.01 0.00 -1.14 0.00 0.00 41.12 40.04 2vb5 n ASP 53 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2vb5 n LEU 54 N 0.00 -5.95 -4.69 -2.12 7.94 -1.26 -4.95 117.00 105.96 2vb5 n LEU 54 Ca -0.05 0.11 -0.38 0.00 -1.11 0.00 0.00 56.01 54.58 2vb5 n LEU 54 Cb 0.40 -2.82 -0.06 0.00 0.53 0.00 0.00 43.42 41.46 2vb5 n LEU 54 CO -0.02 -1.33 0.20 -0.44 -1.11 0.00 0.00 177.39 174.69 2vb5 s SER 55 N -2.48 6.63 -0.31 1.96 0.01 -1.26 -4.93 113.70 113.32 2vb5 s SER 55 Ca 0.20 0.75 -0.15 0.00 1.31 0.00 0.00 55.95 58.07 2vb5 s SER 55 Cb -0.04 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 2vb5 s SER 55 CO 0.80 -0.08 0.35 -0.36 0.41 0.00 0.00 173.24 174.35 2vb5 s PHE 56 N 1.10 3.22 0.03 2.43 0.40 -1.26 -1.26 117.98 122.64 2vb5 s PHE 56 Ca 0.25 0.11 -0.28 0.00 -0.60 0.00 0.00 56.93 56.41 2vb5 s PHE 56 Cb -0.15 -2.61 -0.17 0.00 0.51 0.00 0.00 43.02 40.60 2vb5 s PHE 56 CO 0.10 -0.35 1.35 0.77 0.70 0.00 0.00 175.22 177.80 2vb5 h SER 57 N 8.37 -0.63 0.00 1.36 0.02 -1.85 -3.47 113.55 117.35 2vb5 h SER 57 Ca -0.31 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2vb5 h SER 57 Cb 1.15 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.86 2vb5 h SER 57 CO 0.66 -0.32 0.00 2.29 -1.14 0.00 0.00 176.83 178.33 2vb5 n LYS 58 N -5.34 0.00 -3.33 3.45 2.85 -1.26 -5.08 118.16 109.45 2vb5 n LYS 58 Ca -0.12 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 56.96 2vb5 n LYS 58 Cb 0.33 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.64 2vb5 n LYS 58 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2vb5 s ASP 59 N -2.00 1.10 -0.47 -5.58 1.11 -1.26 -4.98 116.67 104.59 2vb5 s ASP 59 Ca 0.00 -1.84 -0.01 0.00 0.18 0.00 0.00 52.55 50.88 2vb5 s ASP 59 Cb 0.00 0.47 -0.01 0.00 1.07 0.00 0.00 42.92 44.45 2vb5 s ASP 59 CO 0.00 -0.23 0.43 0.61 1.18 0.00 0.00 175.17 177.16 2vb5 n GLY 60 N 3.93 -0.71 3.08 0.21 0.00 -1.26 -5.06 105.19 105.39 2vb5 n GLY 60 Ca 0.14 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.73 -1.06 -0.60 1.61 0.01 -1.26 -4.88 113.70 104.79 2vb5 s SER 61 Ca 0.06 0.13 -0.16 0.00 1.31 0.00 0.00 55.95 57.30 2vb5 s SER 61 Cb -0.01 1.80 0.15 0.00 0.21 0.00 0.00 66.02 68.17 2vb5 s SER 61 CO 0.43 -0.31 0.55 -0.36 0.41 0.00 0.00 173.24 173.96 2vb5 s PHE 62 N 2.75 3.35 -0.48 2.43 0.08 -1.26 -2.20 117.98 122.65 2vb5 s PHE 62 Ca 0.11 -1.42 -0.12 0.00 0.12 0.00 0.00 56.93 55.61 2vb5 s PHE 62 Cb -0.11 -3.80 0.11 0.00 -0.57 0.00 0.00 43.02 38.64 2vb5 s PHE 62 CO -0.26 -1.01 0.39 1.52 -0.10 0.00 0.00 175.22 175.75 2vb5 s TYR 63 N 1.33 3.32 0.36 0.36 1.13 -0.39 -3.37 117.35 120.09 2vb5 s TYR 63 Ca 0.06 -1.46 0.08 0.00 -1.41 0.00 0.00 57.07 54.34 2vb5 s TYR 63 Cb -0.26 -3.44 -0.03 0.00 -1.10 0.00 0.00 41.96 37.13 2vb5 s TYR 63 CO 0.01 -0.94 0.26 -0.51 -2.51 0.00 0.00 175.55 171.86 2vb5 s LEU 64 N 1.50 3.44 -0.18 -3.49 1.02 -1.21 -4.01 118.68 115.75 2vb5 s LEU 64 Ca 0.04 -0.65 0.00 0.00 0.02 0.00 0.00 54.13 53.54 2vb5 s LEU 64 Cb -0.27 -2.02 0.04 0.00 0.02 0.00 0.00 46.19 43.97 2vb5 s LEU 64 CO 0.02 -0.40 -0.08 -0.22 0.02 0.00 0.00 176.35 175.69 2vb5 s LEU 65 N -3.97 1.88 -1.03 1.79 2.96 -1.26 -2.07 118.68 116.98 2vb5 s LEU 65 Ca 0.41 -0.75 -0.09 0.00 -0.22 0.00 0.00 54.13 53.48 2vb5 s LEU 65 Cb -0.04 -1.05 0.26 0.00 0.50 0.00 0.00 46.19 45.86 2vb5 s LEU 65 CO 0.26 -0.16 1.00 -0.31 -1.32 0.00 0.00 176.35 175.81 2vb5 s TYR 66 N 1.53 4.13 -1.10 5.38 1.51 -0.48 -2.70 117.35 125.61 2vb5 s TYR 66 Ca 0.00 -2.57 -0.09 0.00 -1.01 0.00 0.00 57.07 53.40 2vb5 s TYR 66 Cb -0.16 -3.78 0.28 0.00 -0.11 0.00 0.00 41.96 38.19 2vb5 s TYR 66 CO -0.08 -0.94 1.10 1.52 -1.11 0.00 0.00 175.55 176.03 2vb5 s TYR 67 N -0.95 4.26 0.41 2.71 1.13 -1.26 -3.53 117.35 120.11 2vb5 s TYR 67 Ca 0.28 -2.69 -0.23 0.00 -1.41 0.00 0.00 57.07 53.02 2vb5 s TYR 67 Cb -0.10 -3.82 -0.10 0.00 -1.10 0.00 0.00 41.96 36.84 2vb5 s TYR 67 CO -0.08 -0.95 0.97 -0.08 -2.51 0.00 0.00 175.55 172.90 2vb5 s THR 68 N -1.24 4.18 -1.03 -3.49 -1.32 -1.24 -4.66 115.64 106.83 2vb5 s THR 68 Ca 0.30 1.50 -0.19 0.00 -1.21 0.00 0.00 61.69 62.09 2vb5 s THR 68 Cb -0.10 -3.69 0.11 0.00 -1.51 0.00 0.00 72.50 67.31 2vb5 s THR 68 CO -0.08 -0.16 1.31 -0.70 -2.21 0.00 0.00 174.62 172.78 2vb5 s GLU 69 N -2.83 3.71 -0.01 7.08 2.12 -1.26 -1.38 118.70 126.13 2vb5 s GLU 69 Ca 0.59 -1.75 -0.18 0.00 0.36 0.00 0.00 54.97 53.99 2vb5 s GLU 69 Cb -0.14 -5.11 -0.05 0.00 0.26 0.00 0.00 34.13 29.09 2vb5 s GLU 69 CO 0.18 -1.92 0.50 -0.59 -0.54 0.00 0.00 175.26 172.89 2vb5 s PHE 70 N 3.22 3.68 -0.51 5.30 -0.12 0.06 -4.88 117.98 124.74 2vb5 s PHE 70 Ca 0.40 1.08 -0.08 0.00 -0.05 0.00 0.00 56.93 58.27 2vb5 s PHE 70 Cb -0.02 -2.47 0.13 0.00 -0.63 0.00 0.00 43.02 40.03 2vb5 s PHE 70 CO -0.07 0.45 0.38 0.99 -0.05 0.00 0.00 175.22 176.92 2vb5 s THR 71 N -0.48 4.16 -0.98 -4.49 2.01 -1.26 -1.13 115.64 113.47 2vb5 s THR 71 Ca 0.27 -2.03 -0.24 0.00 0.31 0.00 0.00 61.69 60.00 2vb5 s THR 71 Cb -0.17 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 2vb5 s THR 71 CO 0.15 -0.80 1.87 -2.16 -0.69 0.00 0.00 174.62 172.99 2vb5 s PRO 72 N 1.05 2.72 0.00 4.92 0.04 -1.26 -4.76 135.00 137.71 2vb5 s PRO 72 Ca 0.08 -0.61 0.00 0.00 0.04 0.00 0.00 61.00 60.51 2vb5 s PRO 72 Cb -0.24 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.15 2vb5 s PRO 72 CO -0.02 -3.30 0.00 2.41 0.04 0.00 0.00 177.00 176.13 2vb5 n THR 73 N 7.69 0.00 -3.57 1.26 -1.04 -1.26 -1.36 114.28 115.99 2vb5 n THR 73 Ca 0.40 0.01 -0.06 0.00 -2.04 0.00 0.00 64.05 62.36 2vb5 n THR 73 Cb 0.47 -0.21 -0.02 0.00 -1.82 0.00 0.00 70.33 68.75 2vb5 n THR 73 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2vb5 s GLU 74 N -0.02 0.45 0.00 -2.82 2.12 -1.26 -4.35 118.70 112.82 2vb5 s GLU 74 Ca 0.00 -0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.20 2vb5 s GLU 74 Cb 0.00 0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.60 2vb5 s GLU 74 CO 0.00 -0.19 0.00 1.63 -0.54 0.00 0.00 175.26 176.16 2vb5 n LYS 75 N -0.03 0.00 -1.86 4.30 4.01 -1.26 -4.95 118.16 118.37 2vb5 n LYS 75 Ca -0.03 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.35 2vb5 n LYS 75 Cb 0.59 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 35.08 2vb5 n LYS 75 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2vb5 s ASP 76 N 0.00 6.48 -0.17 4.39 -1.08 -1.26 -4.99 116.67 120.04 2vb5 s ASP 76 Ca 0.00 2.32 -0.13 0.00 -0.52 0.00 0.00 52.55 54.23 2vb5 s ASP 76 Cb 0.00 -2.53 -0.05 0.00 -1.46 0.00 0.00 42.92 38.88 2vb5 s ASP 76 CO 0.00 -1.08 0.24 -1.83 0.52 0.00 0.00 175.17 173.03 2vb5 s GLU 77 N 4.42 4.21 -0.14 4.34 1.03 -1.26 -4.93 118.70 126.37 2vb5 s GLU 77 Ca 0.81 -0.00 -0.07 0.00 0.03 0.00 0.00 54.97 55.73 2vb5 s GLU 77 Cb -0.36 -3.42 -0.04 0.00 -0.80 0.00 0.00 34.13 29.51 2vb5 s GLU 77 CO 0.34 0.27 0.12 0.71 -1.33 0.00 0.00 175.26 175.38 2vb5 s TYR 78 N 0.39 3.49 -0.24 4.83 2.02 -1.26 -1.91 117.35 124.66 2vb5 s TYR 78 Ca 0.14 0.42 -0.09 0.00 -0.37 0.00 0.00 57.07 57.18 2vb5 s TYR 78 Cb -0.12 -1.98 0.10 0.00 -0.40 0.00 0.00 41.96 39.56 2vb5 s TYR 78 CO 0.02 0.58 0.53 0.00 -1.57 0.00 0.00 175.55 175.11 2vb5 s ALA 79 N -0.65 -1.56 -0.13 3.71 0.00 -1.21 -3.39 121.76 118.53 2vb5 s ALA 79 Ca 0.13 1.91 -0.29 0.00 0.00 0.00 0.00 51.96 53.70 2vb5 s ALA 79 Cb -0.12 -1.50 -0.01 0.00 0.00 0.00 0.00 23.12 21.49 2vb5 s ALA 79 CO 0.02 -0.78 1.10 0.00 0.00 0.00 0.00 175.76 176.10 2vb5 s ARG 81 N 2.57 4.07 -0.78 0.00 3.52 -1.26 -2.10 118.95 124.96 2vb5 s ARG 81 Ca 0.50 -2.98 -0.21 0.00 -0.13 0.00 0.00 55.73 52.91 2vb5 s ARG 81 Cb -0.20 -4.59 0.09 0.00 -1.56 0.00 0.00 34.95 28.69 2vb5 s ARG 81 CO 0.16 -1.32 1.07 0.08 -0.81 0.00 0.00 175.30 174.48 2vb5 s VAL 82 N -0.62 4.41 -0.08 7.11 1.01 -0.66 -2.52 120.40 129.05 2vb5 s VAL 82 Ca 0.30 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 2vb5 s VAL 82 Cb -0.09 -4.76 -0.05 0.00 0.00 0.00 0.00 36.38 31.48 2vb5 s VAL 82 CO -0.07 -1.53 0.36 0.20 0.00 0.00 0.00 175.10 174.06 2vb5 s ASN 83 N 3.78 6.64 0.05 3.32 0.01 -1.04 -2.43 114.94 125.27 2vb5 s ASN 83 Ca 0.28 0.76 -0.04 0.00 -0.71 0.00 0.00 52.86 53.15 2vb5 s ASN 83 Cb -0.11 -2.22 -0.02 0.00 0.41 0.00 0.00 41.25 39.31 2vb5 s ASN 83 CO 0.02 0.22 0.07 -2.28 -1.51 0.00 0.00 177.10 173.62 2vb5 s HIS 84 N -0.37 0.30 0.48 2.20 2.46 -1.26 -1.16 115.29 117.94 2vb5 s HIS 84 Ca 0.21 -0.72 0.14 0.00 0.47 0.00 0.00 55.06 55.16 2vb5 s HIS 84 Cb -0.15 -0.21 1.14 0.00 -0.13 0.00 0.00 32.58 33.23 2vb5 s HIS 84 CO 0.09 -0.40 2.11 -0.24 -2.47 0.00 0.00 174.74 173.83 2vb5 h VAL 85 N 3.34 1.02 -0.68 0.89 3.04 -1.95 -0.91 116.25 121.01 2vb5 h VAL 85 Ca -0.33 -0.06 -0.05 0.00 -1.01 0.00 0.00 66.70 65.25 2vb5 h VAL 85 Cb 1.17 0.82 -0.03 0.00 -2.01 0.00 0.00 31.29 31.24 2vb5 h VAL 85 CO 0.56 0.03 0.23 0.71 -1.01 0.00 0.00 177.57 178.10 2vb5 h THR 86 N 0.19 1.25 -3.80 3.17 1.35 -1.93 -3.44 112.91 109.70 2vb5 h THR 86 Ca 0.07 -0.83 -0.45 0.00 -0.55 0.00 0.00 66.41 64.65 2vb5 h THR 86 Cb 0.04 0.51 0.14 0.00 -1.73 0.00 0.00 68.15 67.12 2vb5 h THR 86 CO -0.01 0.32 0.37 -0.76 -0.25 0.00 0.00 175.52 175.19 2vb5 s LEU 87 N -9.67 2.74 0.01 3.87 1.43 -0.35 -5.05 118.68 111.66 2vb5 s LEU 87 Ca -0.12 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 2vb5 s LEU 87 Cb 0.14 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.99 2vb5 s LEU 87 CO 0.82 -2.50 0.00 -1.20 0.23 0.00 0.00 176.35 173.70 2vb5 n SER 88 N -3.57 0.03 -4.85 2.29 7.64 -1.26 -4.72 113.62 109.18 2vb5 n SER 88 Ca 0.14 0.02 -0.32 0.00 1.01 0.00 0.00 58.87 59.71 2vb5 n SER 88 Cb 0.60 -0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.74 2vb5 n SER 88 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2vb5 s GLN 89 N -2.00 3.98 -0.04 1.43 -0.21 -1.26 -5.00 119.66 116.56 2vb5 s GLN 89 Ca 0.00 0.62 -0.30 0.00 0.02 0.00 0.00 55.36 55.70 2vb5 s GLN 89 Cb 0.00 -2.47 -0.06 0.00 1.00 0.00 0.00 33.01 31.49 2vb5 s GLN 89 CO 0.00 0.18 1.61 -1.25 -2.12 0.00 0.00 175.29 173.71 2vb5 s PRO 90 N -2.94 4.19 -0.75 2.91 0.04 -1.26 -4.79 135.00 132.40 2vb5 s PRO 90 Ca 0.53 2.16 -0.26 0.00 0.04 0.00 0.00 61.00 63.47 2vb5 s PRO 90 Cb -0.10 -3.90 0.02 0.00 0.04 0.00 0.00 34.50 30.56 2vb5 s PRO 90 CO 0.18 -0.80 1.47 0.21 0.04 0.00 0.00 177.00 178.10 2vb5 s LYS 91 N 3.72 3.07 -1.04 4.56 2.47 -1.02 -4.85 119.74 126.65 2vb5 s LYS 91 Ca 0.72 -0.15 -0.23 0.00 -1.56 0.00 0.00 55.97 54.75 2vb5 s LYS 91 Cb -0.33 -4.42 0.02 0.00 -1.46 0.00 0.00 37.83 31.64 2vb5 s LYS 91 CO 0.29 -2.36 1.65 0.42 0.16 0.00 0.00 175.35 175.51 2vb5 s ILE 92 N 6.65 3.81 0.31 5.43 -1.09 -1.26 -1.65 121.20 133.39 2vb5 s ILE 92 Ca 0.46 -0.84 -0.29 0.00 -2.23 0.00 0.00 60.65 57.74 2vb5 s ILE 92 Cb -0.08 -4.79 -0.10 0.00 -1.58 0.00 0.00 42.46 35.91 2vb5 s ILE 92 CO 0.13 -1.64 1.23 -0.69 -1.23 0.00 0.00 174.94 172.73 2vb5 s VAL 93 N 6.55 3.03 -0.47 2.92 1.01 -0.89 -4.98 120.40 127.56 2vb5 s VAL 93 Ca 0.55 1.03 -0.13 0.00 0.00 0.00 0.00 61.98 63.43 2vb5 s VAL 93 Cb -0.01 -3.65 0.10 0.00 0.00 0.00 0.00 36.38 32.81 2vb5 s VAL 93 CO -0.04 0.24 0.37 -0.54 0.00 0.00 0.00 175.10 175.14 2vb5 s LYS 94 N -1.60 2.78 -0.20 2.72 1.02 -1.26 -3.84 119.74 119.35 2vb5 s LYS 94 Ca 0.47 -1.54 -0.37 0.00 0.02 0.00 0.00 55.97 54.55 2vb5 s LYS 94 Cb -0.37 -4.03 -0.14 0.00 -0.52 0.00 0.00 37.83 32.78 2vb5 s LYS 94 CO 0.48 -1.10 1.82 1.87 -0.92 0.00 0.00 175.35 177.50 2vb5 n TRP 95 N 5.07 2.17 -2.99 3.18 -0.00 -1.22 -4.95 117.44 118.70 2vb5 n TRP 95 Ca -0.11 0.28 -0.40 0.00 -0.00 0.00 0.00 57.50 57.27 2vb5 n TRP 95 Cb 0.42 -2.56 -0.05 0.00 -0.00 0.00 0.00 31.31 29.13 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 3.92 7.16 -1.33 5.87 -1.08 -1.25 -4.97 116.67 125.00 2vb5 s ASP 96 Ca 0.96 1.39 -0.16 0.00 -0.52 0.00 0.00 52.55 54.22 2vb5 s ASP 96 Cb -0.90 -2.46 0.02 0.00 -1.46 0.00 0.00 42.92 38.13 2vb5 s ASP 96 CO 0.59 -0.02 2.05 -2.11 0.52 0.00 0.00 175.17 176.20 2vb5 n ARG 97 N 3.06 2.74 -0.17 4.34 -4.01 -1.26 -4.14 116.66 117.22 2vb5 n ARG 97 Ca -0.02 -2.70 -0.03 0.00 -1.04 0.00 0.00 57.85 54.06 2vb5 n ARG 97 Cb 0.51 -3.33 0.06 0.00 -3.04 0.00 0.00 32.46 26.66 2vb5 n ARG 97 CO 0.00 0.00 0.00 -0.44 -3.04 0.00 0.00 177.63 174.15 2vb5 h ASP 98 N 6.80 0.28 0.00 2.89 3.32 -1.94 -3.50 116.42 124.27 2vb5 h ASP 98 Ca 0.51 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.60 2vb5 h ASP 98 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 2vb5 h ASP 98 CO 1.75 0.19 0.00 1.15 -1.72 0.00 0.00 179.24 180.61