#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 -0.91 2.02 2.07 -1.26 -5.10 121.20 117.27 2vb5 s ILE 1 Ca 0.00 -0.82 -0.22 0.00 -1.41 0.00 0.00 60.65 58.20 2vb5 s ILE 1 Cb 0.00 -0.24 0.07 0.00 0.13 0.00 0.00 42.46 42.42 2vb5 s ILE 1 CO 0.00 -0.22 1.28 -1.58 -1.91 0.00 0.00 174.94 172.50 2vb5 s GLN 2 N 1.22 3.47 -0.08 3.50 0.74 -1.26 -4.94 119.66 122.31 2vb5 s GLN 2 Ca 0.23 -1.12 -0.20 0.00 0.05 0.00 0.00 55.36 54.32 2vb5 s GLN 2 Cb -0.04 -4.91 -0.04 0.00 1.10 0.00 0.00 33.01 29.12 2vb5 s GLN 2 CO -0.07 -2.03 0.57 1.03 -0.55 0.00 0.00 175.29 174.24 2vb5 s ARG 3 N 4.36 4.36 0.31 1.67 0.52 -1.26 -5.00 118.95 123.91 2vb5 s ARG 3 Ca 0.38 0.64 -0.02 0.00 -0.52 0.00 0.00 55.73 56.21 2vb5 s ARG 3 Cb -0.05 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 31.96 2vb5 s ARG 3 CO -0.03 0.17 0.53 0.95 0.02 0.00 0.00 175.30 176.94 2vb5 s THR 4 N 0.52 5.08 -0.34 0.02 -4.23 -1.23 -1.24 115.64 114.22 2vb5 s THR 4 Ca 0.31 -0.21 -0.27 0.00 -1.18 0.00 0.00 61.69 60.33 2vb5 s THR 4 Cb -0.17 -3.79 -0.05 0.00 1.34 0.00 0.00 72.50 69.83 2vb5 s THR 4 CO 0.14 -0.41 2.21 -2.16 -0.54 0.00 0.00 174.62 173.86 2vb5 s PRO 5 N -3.87 2.79 -0.44 3.99 0.04 -1.26 -4.19 135.00 132.07 2vb5 s PRO 5 Ca 0.42 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 62.84 2vb5 s PRO 5 Cb -0.10 -4.42 0.03 0.00 0.04 0.00 0.00 34.50 30.04 2vb5 s PRO 5 CO 0.33 -2.49 1.13 0.21 0.04 0.00 0.00 177.00 176.21 2vb5 s LYS 6 N 6.93 3.81 0.17 4.56 2.20 -0.60 -4.89 119.74 131.91 2vb5 s LYS 6 Ca 0.95 0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 56.97 2vb5 s LYS 6 Cb -0.25 -3.87 -0.08 0.00 -1.51 0.00 0.00 37.83 32.12 2vb5 s LYS 6 CO 0.31 -1.27 1.17 0.96 -0.36 0.00 0.00 175.35 176.17 2vb5 s ILE 7 N 4.28 3.71 -0.45 5.43 -4.36 -1.26 -2.49 121.20 126.06 2vb5 s ILE 7 Ca 0.48 1.42 0.05 0.00 -0.26 0.00 0.00 60.65 62.33 2vb5 s ILE 7 Cb -0.09 -3.90 0.18 0.00 1.25 0.00 0.00 42.46 39.90 2vb5 s ILE 7 CO 0.28 0.22 0.48 0.00 0.24 0.00 0.00 174.94 176.16 2vb5 n GLN 8 N 2.64 0.33 -3.43 0.37 6.02 -1.22 -5.03 117.38 117.06 2vb5 n GLN 8 Ca 0.04 -2.78 -0.43 0.00 -0.01 0.00 0.00 57.00 53.82 2vb5 n GLN 8 Cb 0.45 -1.59 -0.03 0.00 1.02 0.00 0.00 30.24 30.10 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 0.29 5.41 0.29 5.09 1.01 -1.26 -2.07 120.40 129.16 2vb5 s VAL 9 Ca 0.32 -3.24 0.08 0.00 0.00 0.00 0.00 61.98 59.14 2vb5 s VAL 9 Cb 0.03 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2vb5 s VAL 9 CO -0.15 -1.10 0.16 -0.72 0.00 0.00 0.00 175.10 173.28 2vb5 s TYR 10 N -0.84 2.89 0.26 5.22 1.13 -1.16 -3.69 117.35 121.16 2vb5 s TYR 10 Ca 0.26 -0.23 -0.02 0.00 -1.41 0.00 0.00 57.07 55.67 2vb5 s TYR 10 Cb -0.10 -1.47 -0.04 0.00 -1.10 0.00 0.00 41.96 39.24 2vb5 s TYR 10 CO -0.09 0.44 0.48 -1.54 -2.51 0.00 0.00 175.55 172.34 2vb5 s SER 11 N -3.83 6.39 -0.13 -0.18 1.04 -1.24 -0.04 113.70 115.72 2vb5 s SER 11 Ca 0.35 0.53 -0.17 0.00 0.48 0.00 0.00 55.95 57.14 2vb5 s SER 11 Cb -0.06 -2.06 -0.15 0.00 0.10 0.00 0.00 66.02 63.84 2vb5 s SER 11 CO 0.24 -0.15 0.42 -0.09 0.98 0.00 0.00 173.24 174.64 2vb5 h ARG 12 N 1.65 0.00 -6.89 4.02 9.65 -1.29 -3.47 114.38 118.05 2vb5 h ARG 12 Ca -0.48 0.00 -0.49 0.00 -1.10 0.00 0.00 59.98 57.91 2vb5 h ARG 12 Cb 1.20 0.00 0.03 0.00 -1.39 0.00 0.00 29.97 29.81 2vb5 h ARG 12 CO 0.66 0.60 0.08 -1.01 2.80 0.00 0.00 179.97 183.10 2vb5 s HIS 13 N -1.99 3.56 0.74 2.20 3.76 -1.26 -5.01 115.29 117.29 2vb5 s HIS 13 Ca -0.12 0.78 -0.12 0.00 -0.15 0.00 0.00 55.06 55.44 2vb5 s HIS 13 Cb -0.01 -2.27 0.04 0.00 1.11 0.00 0.00 32.58 31.45 2vb5 s HIS 13 CO 0.41 -0.24 1.10 -1.25 -0.85 0.00 0.00 174.74 173.92 2vb5 s PRO 14 N -4.67 2.38 -1.49 8.40 0.04 -1.26 -4.89 135.00 133.51 2vb5 s PRO 14 Ca 0.47 1.28 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 2vb5 s PRO 14 Cb -0.10 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.55 2vb5 s PRO 14 CO 0.44 -1.56 2.49 0.00 0.04 0.00 0.00 177.00 178.41 2vb5 n ALA 15 N -3.15 6.45 -2.23 8.56 0.00 -1.26 -4.93 120.51 123.95 2vb5 n ALA 15 Ca 0.10 -3.82 -0.39 0.00 0.00 0.00 0.00 53.44 49.33 2vb5 n ALA 15 Cb 0.52 -3.33 -0.06 0.00 0.00 0.00 0.00 19.45 16.59 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 2.02 4.47 0.04 0.00 2.12 -1.26 -5.01 118.70 121.08 2vb5 s GLU 16 Ca 0.56 1.02 -0.30 0.00 0.36 0.00 0.00 54.97 56.61 2vb5 s GLU 16 Cb 0.16 -3.31 -0.08 0.00 0.26 0.00 0.00 34.13 31.16 2vb5 s GLU 16 CO -0.07 0.45 1.81 1.21 -0.54 0.00 0.00 175.26 178.12 2vb5 s ASN 17 N -0.63 6.52 -0.97 -1.70 3.84 -1.26 -3.37 114.94 117.36 2vb5 s ASN 17 Ca 0.35 2.56 -0.03 0.00 0.21 0.00 0.00 52.86 55.95 2vb5 s ASN 17 Cb -0.21 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 37.90 2vb5 s ASN 17 CO 0.23 -0.98 0.84 0.61 -2.79 0.00 0.00 177.10 175.01 2vb5 n GLY 18 N 4.28 -0.69 3.61 1.21 0.00 -0.17 -5.01 105.19 108.41 2vb5 n GLY 18 Ca 0.18 0.33 -0.02 0.00 0.00 0.00 0.00 46.02 46.51 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 -4.57 0.56 0.24 1.61 2.20 -1.22 -5.01 119.74 113.55 2vb5 s LYS 19 Ca 0.26 1.40 -0.30 0.00 -0.36 0.00 0.00 55.97 56.98 2vb5 s LYS 19 Cb -0.03 0.79 -0.15 0.00 -1.51 0.00 0.00 37.83 36.93 2vb5 s LYS 19 CO 0.65 -0.20 1.04 0.43 -0.36 0.00 0.00 175.35 176.91 2vb5 n SER 20 N 5.40 1.18 -3.71 1.43 7.64 -1.26 -4.30 113.62 119.99 2vb5 n SER 20 Ca -0.12 1.16 -0.15 0.00 1.01 0.00 0.00 58.87 60.78 2vb5 n SER 20 Cb 0.49 -1.25 -0.15 0.00 -1.01 0.00 0.00 64.21 62.30 2vb5 n SER 20 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2vb5 s ASN 21 N -0.38 0.23 0.05 6.43 3.84 -0.53 -4.95 114.94 119.63 2vb5 s ASN 21 Ca 0.64 0.33 -0.24 0.00 0.21 0.00 0.00 52.86 53.80 2vb5 s ASN 21 Cb -0.77 0.24 -0.06 0.00 -0.55 0.00 0.00 41.25 40.12 2vb5 s ASN 21 CO 0.57 -0.19 0.73 -0.36 -2.79 0.00 0.00 177.10 175.06 2vb5 s PHE 22 N 1.64 3.74 0.76 0.43 0.08 -1.26 -1.95 117.98 121.42 2vb5 s PHE 22 Ca -0.04 1.43 -0.12 0.00 0.12 0.00 0.00 56.93 58.32 2vb5 s PHE 22 Cb -0.12 -2.77 0.05 0.00 -0.57 0.00 0.00 43.02 39.61 2vb5 s PHE 22 CO -0.06 0.32 1.13 -1.17 -0.10 0.00 0.00 175.22 175.33 2vb5 s LEU 23 N -0.19 2.70 -0.41 -0.37 2.96 -0.50 -0.96 118.68 121.91 2vb5 s LEU 23 Ca 0.37 1.03 0.07 0.00 -0.22 0.00 0.00 54.13 55.37 2vb5 s LEU 23 Cb -0.20 -3.69 0.22 0.00 0.50 0.00 0.00 46.19 43.02 2vb5 s LEU 23 CO 0.22 -1.64 0.52 0.59 -1.32 0.00 0.00 176.35 174.72 2vb5 n ASN 24 N -3.18 -0.59 -4.57 3.68 4.13 0.95 -4.25 115.26 111.42 2vb5 n ASN 24 Ca 0.07 -2.68 -0.41 0.00 1.68 0.00 0.00 54.58 53.24 2vb5 n ASN 24 Cb 0.58 -0.19 -0.02 0.00 -1.54 0.00 0.00 39.78 38.62 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 5.18 3.18 -0.46 0.00 6.14 -0.88 -1.87 117.35 128.64 2vb5 s TYR 26 Ca 0.52 -1.49 -0.19 0.00 0.64 0.00 0.00 57.07 56.55 2vb5 s TYR 26 Cb 0.02 -4.27 0.04 0.00 0.42 0.00 0.00 41.96 38.16 2vb5 s TYR 26 CO 0.01 -1.46 0.57 0.08 0.64 0.00 0.00 175.55 175.38 2vb5 s VAL 27 N 2.48 4.93 -0.10 3.14 1.01 -0.70 -3.46 120.40 127.71 2vb5 s VAL 27 Ca 0.33 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 2vb5 s VAL 27 Cb -0.05 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 2vb5 s VAL 27 CO -0.08 -0.62 -0.01 -0.94 0.00 0.00 0.00 175.10 173.45 2vb5 s SER 28 N 2.19 5.12 -0.53 3.32 1.04 -1.04 -1.80 113.70 122.00 2vb5 s SER 28 Ca 0.16 0.08 -0.02 0.00 0.48 0.00 0.00 55.95 56.65 2vb5 s SER 28 Cb -0.17 -1.51 0.00 0.00 0.10 0.00 0.00 66.02 64.45 2vb5 s SER 28 CO 0.15 0.33 0.45 0.61 0.98 0.00 0.00 173.24 175.76 2vb5 n GLY 29 N 2.43 0.24 3.43 7.32 0.00 -0.68 -1.56 105.19 116.37 2vb5 n GLY 29 Ca -0.18 -0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.14 3.11 -0.14 1.61 -0.12 -1.26 -3.53 117.98 114.52 2vb5 s PHE 30 Ca 0.14 -1.28 -0.19 0.00 -0.05 0.00 0.00 56.93 55.54 2vb5 s PHE 30 Cb -0.06 -4.20 -0.04 0.00 -0.63 0.00 0.00 43.02 38.09 2vb5 s PHE 30 CO 0.30 -1.43 0.55 -1.01 -0.05 0.00 0.00 175.22 173.57 2vb5 s HIS 31 N 2.61 3.47 -0.14 3.49 3.76 -0.37 -3.09 115.29 125.01 2vb5 s HIS 31 Ca 0.27 0.93 -0.13 0.00 -0.15 0.00 0.00 55.06 55.98 2vb5 s HIS 31 Cb -0.10 -2.66 -0.10 0.00 1.11 0.00 0.00 32.58 30.84 2vb5 s HIS 31 CO -0.05 0.05 0.14 -1.00 -0.85 0.00 0.00 174.74 173.03 2vb5 h PRO 32 N 6.99 0.00 0.00 8.40 0.13 -1.95 -3.39 132.00 142.19 2vb5 h PRO 32 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2vb5 h PRO 32 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2vb5 h PRO 32 CO 0.75 0.40 0.00 -1.13 -0.23 0.00 0.00 178.00 177.79 2vb5 n SER 33 N -4.63 0.00 -3.94 1.44 3.41 -1.18 -4.98 113.62 103.74 2vb5 n SER 33 Ca -0.11 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.10 2vb5 n SER 33 Cb 0.31 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 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 -1.09 3.29 -4.91 4.04 9.92 -1.26 -4.92 116.55 121.62 2vb5 n ASP 34 Ca 0.00 -2.76 -0.31 0.00 -0.53 0.00 0.00 54.79 51.19 2vb5 n ASP 34 Cb 0.00 -1.45 -0.04 0.00 -0.64 0.00 0.00 41.12 38.99 2vb5 n ASP 34 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 2vb5 s ILE 35 N 5.44 5.37 -0.49 0.53 2.07 -1.26 -4.02 121.20 128.84 2vb5 s ILE 35 Ca 0.56 -0.37 0.03 0.00 -1.41 0.00 0.00 60.65 59.46 2vb5 s ILE 35 Cb 0.10 -3.60 0.16 0.00 0.13 0.00 0.00 42.46 39.25 2vb5 s ILE 35 CO 0.06 0.17 0.34 -1.61 -1.91 0.00 0.00 174.94 171.98 2vb5 s GLU 36 N -2.43 1.43 -1.24 3.50 2.02 -0.29 -5.02 118.70 116.68 2vb5 s GLU 36 Ca 0.34 -2.35 -0.14 0.00 0.02 0.00 0.00 54.97 52.84 2vb5 s GLU 36 Cb -0.13 -2.27 0.15 0.00 0.10 0.00 0.00 34.13 31.98 2vb5 s GLU 36 CO 0.27 -1.27 1.54 0.28 0.02 0.00 0.00 175.26 176.10 2vb5 n VAL 37 N 2.94 4.21 -2.75 2.63 0.31 -1.26 -3.17 118.33 121.24 2vb5 n VAL 37 Ca 0.18 -4.58 -0.42 0.00 -0.01 0.00 0.00 64.34 59.52 2vb5 n VAL 37 Cb 0.39 -2.44 0.02 0.00 -0.91 0.00 0.00 33.84 30.89 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 5.88 7.00 -4.75 4.52 -0.08 -1.19 -4.87 116.55 123.06 2vb5 n ASP 38 Ca 0.39 -3.56 -0.37 0.00 -1.51 0.00 0.00 54.79 49.74 2vb5 n ASP 38 Cb 0.42 -1.22 0.04 0.00 2.34 0.00 0.00 41.12 42.70 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 -3.62 3.75 0.33 -2.67 0.05 -1.26 -4.38 118.68 110.88 2vb5 s LEU 39 Ca 0.36 2.54 0.03 0.00 0.05 0.00 0.00 54.13 57.12 2vb5 s LEU 39 Cb 0.13 -4.46 -0.04 0.00 -2.05 0.00 0.00 46.19 39.78 2vb5 s LEU 39 CO -0.04 -1.58 0.13 -0.76 -0.55 0.00 0.00 176.35 173.55 2vb5 s LEU 40 N -3.83 1.85 -0.23 1.48 1.43 -0.74 -3.86 118.68 114.78 2vb5 s LEU 40 Ca 0.75 -1.53 -0.03 0.00 -1.03 0.00 0.00 54.13 52.28 2vb5 s LEU 40 Cb -0.35 -0.01 0.08 0.00 0.03 0.00 0.00 46.19 45.94 2vb5 s LEU 40 CO 0.39 -0.83 0.08 -1.59 0.23 0.00 0.00 176.35 174.63 2vb5 s LYS 41 N -3.83 0.44 -1.32 1.70 -2.85 0.04 -2.78 119.74 111.14 2vb5 s LYS 41 Ca 0.33 -0.49 -0.00 0.00 -1.00 0.00 0.00 55.97 54.80 2vb5 s LYS 41 Cb 0.05 -1.83 -0.00 0.00 -2.06 0.00 0.00 37.83 33.99 2vb5 s LYS 41 CO 0.16 -0.79 0.64 -1.71 0.10 0.00 0.00 175.35 173.75 2vb5 n ASN 42 N 5.10 -1.01 0.00 0.03 5.15 0.51 -1.56 115.26 123.48 2vb5 n ASN 42 Ca -0.07 -0.86 0.00 0.00 -0.60 0.00 0.00 54.58 53.06 2vb5 n ASN 42 Cb 0.45 -3.87 0.00 0.00 -0.53 0.00 0.00 39.78 35.84 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 -1.65 2.69 3.62 8.20 0.00 -1.26 -4.99 105.19 111.80 2vb5 n GLY 43 Ca -0.30 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 3.97 0.15 1.61 0.41 -0.60 -4.95 118.70 119.29 2vb5 s GLU 44 Ca 0.00 0.82 -0.31 0.00 -0.41 0.00 0.00 54.97 55.07 2vb5 s GLU 44 Cb 0.00 -3.76 -0.09 0.00 -1.78 0.00 0.00 34.13 28.50 2vb5 s GLU 44 CO 0.00 -0.88 1.53 0.50 -0.49 0.00 0.00 175.26 175.92 2vb5 s ARG 45 N 3.49 4.24 -0.21 1.61 3.52 -1.26 -0.78 118.95 129.55 2vb5 s ARG 45 Ca 0.41 2.29 -0.20 0.00 -0.13 0.00 0.00 55.73 58.10 2vb5 s ARG 45 Cb -0.12 -3.20 -0.02 0.00 -1.56 0.00 0.00 34.95 30.04 2vb5 s ARG 45 CO 0.16 -0.58 0.61 0.42 -0.81 0.00 0.00 175.30 175.11 2vb5 s ILE 46 N 1.23 5.02 -0.52 4.11 1.01 -1.25 -4.95 121.20 125.85 2vb5 s ILE 46 Ca 0.69 1.14 -0.04 0.00 0.00 0.00 0.00 60.65 62.44 2vb5 s ILE 46 Cb -0.42 -3.93 0.07 0.00 0.01 0.00 0.00 42.46 38.19 2vb5 s ILE 46 CO 0.31 0.10 2.74 -0.62 0.00 0.00 0.00 174.94 177.47 2vb5 n GLU 47 N 5.16 2.57 -2.75 2.79 1.02 -1.26 -4.12 120.64 124.05 2vb5 n GLU 47 Ca -0.02 -2.44 -0.08 0.00 -0.02 0.00 0.00 57.16 54.60 2vb5 n GLU 47 Cb 0.50 -2.18 0.06 0.00 -0.02 0.00 0.00 31.44 29.79 2vb5 n GLU 47 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2vb5 n LYS 48 N 0.92 0.81 -2.86 3.49 4.81 -1.26 -5.12 118.16 118.94 2vb5 n LYS 48 Ca 0.50 -1.75 -0.42 0.00 -0.87 0.00 0.00 58.31 55.77 2vb5 n LYS 48 Cb 0.53 -1.38 -0.04 0.00 0.02 0.00 0.00 35.03 34.15 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 0.62 4.75 -0.04 3.15 1.01 -1.26 -4.37 120.40 124.26 2vb5 s VAL 49 Ca 0.30 1.41 0.03 0.00 0.00 0.00 0.00 61.98 63.72 2vb5 s VAL 49 Cb 0.24 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 2vb5 s VAL 49 CO -0.21 -0.25 -0.11 -1.61 0.00 0.00 0.00 175.10 172.92 2vb5 s GLU 50 N 3.07 2.54 0.17 2.72 2.02 -1.26 -5.02 118.70 122.93 2vb5 s GLU 50 Ca 0.36 -0.69 -0.23 0.00 0.02 0.00 0.00 54.97 54.43 2vb5 s GLU 50 Cb -0.14 -2.44 0.06 0.00 0.10 0.00 0.00 34.13 31.71 2vb5 s GLU 50 CO 0.11 0.62 0.63 -3.38 0.02 0.00 0.00 175.26 173.27 2vb5 s HIS 51 N -0.82 -0.48 -0.75 1.61 -3.43 -1.26 -0.65 115.29 109.51 2vb5 s HIS 51 Ca 0.13 0.24 0.26 0.00 -0.80 0.00 0.00 55.06 54.89 2vb5 s HIS 51 Cb -0.11 0.58 0.70 0.00 -1.43 0.00 0.00 32.58 32.33 2vb5 s HIS 51 CO 0.02 -0.89 1.64 0.43 -2.00 0.00 0.00 174.74 173.94 2vb5 n SER 52 N -0.39 0.67 -2.44 7.38 7.64 -1.20 -5.01 113.62 120.28 2vb5 n SER 52 Ca -0.15 0.39 -0.03 0.00 1.01 0.00 0.00 58.87 60.09 2vb5 n SER 52 Cb 0.64 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 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 -2.09 -6.38 -3.30 6.43 -0.08 -1.26 -4.54 116.55 105.33 2vb5 n ASP 53 Ca 0.05 0.67 -0.29 0.00 -1.51 0.00 0.00 54.79 53.71 2vb5 n ASP 53 Cb 0.42 -4.20 0.02 0.00 2.34 0.00 0.00 41.12 39.70 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 0.01 -1.87 -4.81 -2.67 7.94 -1.26 -4.93 117.00 109.41 2vb5 n LEU 54 Ca 0.05 -0.39 -0.38 0.00 -1.11 0.00 0.00 56.01 54.18 2vb5 n LEU 54 Cb 0.19 -1.34 -0.06 0.00 0.53 0.00 0.00 43.42 42.74 2vb5 n LEU 54 CO 0.34 0.13 0.13 -0.44 -1.11 0.00 0.00 177.39 176.44 2vb5 s SER 55 N -1.80 6.81 -0.35 1.96 0.01 -1.23 -4.98 113.70 114.12 2vb5 s SER 55 Ca 0.21 0.96 -0.14 0.00 1.31 0.00 0.00 55.95 58.29 2vb5 s SER 55 Cb -0.02 -2.26 -0.01 0.00 0.21 0.00 0.00 66.02 63.94 2vb5 s SER 55 CO 0.75 0.27 0.27 -0.36 0.41 0.00 0.00 173.24 174.58 2vb5 s PHE 56 N -0.79 3.23 -0.01 2.43 0.40 -1.26 -2.08 117.98 119.90 2vb5 s PHE 56 Ca 0.24 -0.25 -0.25 0.00 -0.60 0.00 0.00 56.93 56.07 2vb5 s PHE 56 Cb -0.17 -2.54 -0.19 0.00 0.51 0.00 0.00 43.02 40.63 2vb5 s PHE 56 CO 0.13 -0.42 1.32 0.66 0.70 0.00 0.00 175.22 177.61 2vb5 h SER 57 N 8.52 -0.03 0.00 1.36 4.64 -1.95 -3.47 113.55 122.61 2vb5 h SER 57 Ca -0.30 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.62 2vb5 h SER 57 Cb 1.15 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2vb5 h SER 57 CO 0.66 0.39 0.00 2.29 -0.87 0.00 0.00 176.83 179.30 2vb5 n LYS 58 N -4.91 0.00 -3.32 4.77 2.85 -1.26 -5.12 118.16 111.16 2vb5 n LYS 58 Ca -0.08 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.10 2vb5 n LYS 58 Cb 0.22 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.53 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 -2.27 0.06 0.00 -5.58 1.11 -1.26 -5.01 116.67 103.72 2vb5 s ASP 59 Ca 0.00 0.27 0.00 0.00 0.18 0.00 0.00 52.55 53.00 2vb5 s ASP 59 Cb 0.00 1.24 0.00 0.00 1.07 0.00 0.00 42.92 45.23 2vb5 s ASP 59 CO 0.00 -0.30 0.00 0.61 1.18 0.00 0.00 175.17 176.66 2vb5 n GLY 60 N 5.37 1.70 3.55 0.21 0.00 -1.26 -4.91 105.19 109.85 2vb5 n GLY 60 Ca -0.03 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 5.06 -0.36 1.61 1.04 -1.26 -4.92 113.70 114.87 2vb5 s SER 61 Ca 0.00 0.32 -0.24 0.00 0.48 0.00 0.00 55.95 56.51 2vb5 s SER 61 Cb 0.00 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.60 2vb5 s SER 61 CO 0.00 -2.56 0.83 -0.36 0.98 0.00 0.00 173.24 172.13 2vb5 s PHE 62 N 9.94 3.11 -0.43 5.02 0.40 -1.26 -3.72 117.98 131.04 2vb5 s PHE 62 Ca 0.74 0.65 -0.15 0.00 -0.60 0.00 0.00 56.93 57.56 2vb5 s PHE 62 Cb -0.13 -3.46 0.04 0.00 0.51 0.00 0.00 43.02 39.98 2vb5 s PHE 62 CO 0.18 -0.75 0.33 1.52 0.70 0.00 0.00 175.22 177.21 2vb5 s TYR 63 N 3.21 3.24 -0.28 0.36 1.13 -0.88 -1.69 117.35 122.44 2vb5 s TYR 63 Ca 0.34 -0.73 -0.02 0.00 -1.41 0.00 0.00 57.07 55.24 2vb5 s TYR 63 Cb -0.13 -2.81 0.04 0.00 -1.10 0.00 0.00 41.96 37.96 2vb5 s TYR 63 CO 0.17 -0.67 -0.02 -1.17 -2.51 0.00 0.00 175.55 171.35 2vb5 s LEU 64 N 1.66 3.64 0.29 -3.49 0.20 -0.75 -3.47 118.68 116.75 2vb5 s LEU 64 Ca 0.05 -1.12 -0.25 0.00 0.69 0.00 0.00 54.13 53.50 2vb5 s LEU 64 Cb -0.21 -1.69 -0.09 0.00 -0.43 0.00 0.00 46.19 43.76 2vb5 s LEU 64 CO 0.09 -0.21 0.88 -0.22 -0.29 0.00 0.00 176.35 176.59 2vb5 s LEU 65 N 1.28 4.37 -0.39 -0.68 2.96 -1.26 -1.71 118.68 123.24 2vb5 s LEU 65 Ca -0.03 1.73 0.01 0.00 -0.22 0.00 0.00 54.13 55.61 2vb5 s LEU 65 Cb -0.19 -3.85 0.13 0.00 0.50 0.00 0.00 46.19 42.78 2vb5 s LEU 65 CO -0.02 -0.02 0.21 -0.31 -1.32 0.00 0.00 176.35 174.89 2vb5 s TYR 66 N -1.55 1.56 -0.95 5.38 2.02 -0.78 -3.20 117.35 119.82 2vb5 s TYR 66 Ca 0.47 -2.07 -0.04 0.00 -0.37 0.00 0.00 57.07 55.06 2vb5 s TYR 66 Cb -0.19 -1.58 0.24 0.00 -0.40 0.00 0.00 41.96 40.03 2vb5 s TYR 66 CO 0.24 -0.81 0.87 1.52 -1.57 0.00 0.00 175.55 175.79 2vb5 s TYR 67 N 0.78 4.00 0.90 2.71 -0.85 0.18 -2.85 117.35 122.22 2vb5 s TYR 67 Ca 0.16 -2.94 -0.12 0.00 -0.52 0.00 0.00 57.07 53.65 2vb5 s TYR 67 Cb -0.23 -3.40 0.13 0.00 0.38 0.00 0.00 41.96 38.84 2vb5 s TYR 67 CO -0.04 -0.79 1.11 -0.08 -1.52 0.00 0.00 175.55 174.22 2vb5 s THR 68 N -1.33 2.46 -0.60 -3.49 -1.32 -1.26 -4.17 115.64 105.94 2vb5 s THR 68 Ca 0.28 0.15 -0.04 0.00 -1.21 0.00 0.00 61.69 60.87 2vb5 s THR 68 Cb -0.08 -2.77 0.16 0.00 -1.51 0.00 0.00 72.50 68.29 2vb5 s THR 68 CO -0.11 -0.19 0.43 -0.70 -2.21 0.00 0.00 174.62 171.83 2vb5 s GLU 69 N -5.09 2.56 0.26 7.08 2.12 -1.26 -1.40 118.70 122.97 2vb5 s GLU 69 Ca 0.63 -2.36 -0.12 0.00 0.36 0.00 0.00 54.97 53.48 2vb5 s GLU 69 Cb -0.16 -3.78 -0.08 0.00 0.26 0.00 0.00 34.13 30.36 2vb5 s GLU 69 CO 0.55 -1.17 0.62 -0.59 -0.54 0.00 0.00 175.26 174.14 2vb5 s PHE 70 N 0.24 3.41 -0.42 5.30 -0.12 -0.82 -4.90 117.98 120.67 2vb5 s PHE 70 Ca 0.15 1.02 -0.14 0.00 -0.05 0.00 0.00 56.93 57.91 2vb5 s PHE 70 Cb -0.20 -2.38 0.04 0.00 -0.63 0.00 0.00 43.02 39.85 2vb5 s PHE 70 CO -0.04 0.21 0.30 0.99 -0.05 0.00 0.00 175.22 176.63 2vb5 s THR 71 N -1.87 5.07 -1.23 -4.49 2.01 -1.26 -1.45 115.64 112.43 2vb5 s THR 71 Ca 0.50 -0.83 -0.18 0.00 0.31 0.00 0.00 61.69 61.48 2vb5 s THR 71 Cb -0.11 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 2vb5 s THR 71 CO 0.20 -0.37 1.96 -0.81 -0.69 0.00 0.00 174.62 174.91 2vb5 n PRO 72 N 5.13 2.48 0.24 4.92 -0.04 -1.26 -4.67 135.00 141.80 2vb5 n PRO 72 Ca -0.11 -2.66 0.07 0.00 -0.04 0.00 0.00 63.50 60.76 2vb5 n PRO 72 Cb 0.46 -3.37 0.59 0.00 -0.04 0.00 0.00 33.50 31.14 2vb5 n PRO 72 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2vb5 h THR 73 N 4.99 1.04 0.00 0.52 2.02 -1.90 -0.42 112.91 119.16 2vb5 h THR 73 Ca 0.44 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.43 2vb5 h THR 73 Cb 0.77 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2vb5 h THR 73 CO 1.64 0.06 0.00 1.21 0.37 0.00 0.00 175.52 178.80 2vb5 n GLU 74 N -4.47 0.00 0.00 6.66 0.00 -1.26 -4.39 120.64 117.17 2vb5 n GLU 74 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.13 2vb5 n GLU 74 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.58 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 0.28 0.00 -2.08 5.31 4.81 -1.26 -4.99 118.16 120.24 2vb5 n LYS 75 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 2vb5 n LYS 75 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 2vb5 n LYS 75 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2vb5 s ASP 76 N 0.00 6.73 0.05 3.14 1.01 -1.26 -5.01 116.67 121.34 2vb5 s ASP 76 Ca 0.00 2.37 -0.13 0.00 0.71 0.00 0.00 52.55 55.50 2vb5 s ASP 76 Cb 0.00 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.30 2vb5 s ASP 76 CO 0.00 -0.76 0.43 -1.83 0.21 0.00 0.00 175.17 173.22 2vb5 s GLU 77 N 1.83 3.86 -0.13 8.23 4.04 -1.26 -4.90 118.70 130.38 2vb5 s GLU 77 Ca 0.68 0.33 -0.04 0.00 0.04 0.00 0.00 54.97 55.97 2vb5 s GLU 77 Cb -0.37 -3.09 -0.04 0.00 0.02 0.00 0.00 34.13 30.65 2vb5 s GLU 77 CO 0.30 0.61 0.03 0.71 -1.84 0.00 0.00 175.26 175.06 2vb5 s TYR 78 N -1.26 3.20 -0.22 4.83 1.51 -1.26 -0.36 117.35 123.79 2vb5 s TYR 78 Ca 0.29 0.10 -0.13 0.00 -1.01 0.00 0.00 57.07 56.32 2vb5 s TYR 78 Cb -0.15 -1.92 0.07 0.00 -0.11 0.00 0.00 41.96 39.84 2vb5 s TYR 78 CO 0.16 0.30 0.55 0.00 -1.11 0.00 0.00 175.55 175.45 2vb5 s ALA 79 N -0.28 -1.44 -0.16 3.71 0.00 -1.12 -3.36 121.76 119.11 2vb5 s ALA 79 Ca 0.07 1.92 -0.24 0.00 0.00 0.00 0.00 51.96 53.71 2vb5 s ALA 79 Cb -0.12 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 2vb5 s ALA 79 CO 0.02 -0.31 0.77 0.00 0.00 0.00 0.00 175.76 176.24 2vb5 s ARG 81 N 1.95 4.24 -0.42 0.00 3.52 -1.26 -1.12 118.95 125.86 2vb5 s ARG 81 Ca 0.36 0.60 0.02 0.00 -0.13 0.00 0.00 55.73 56.58 2vb5 s ARG 81 Cb -0.16 -3.34 0.14 0.00 -1.56 0.00 0.00 34.95 30.03 2vb5 s ARG 81 CO 0.13 0.39 0.24 0.08 -0.81 0.00 0.00 175.30 175.33 2vb5 s VAL 82 N -0.21 1.12 -0.12 7.11 1.01 0.01 -3.18 120.40 126.14 2vb5 s VAL 82 Ca 0.28 -2.41 -0.02 0.00 0.00 0.00 0.00 61.98 59.84 2vb5 s VAL 82 Cb -0.17 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 2vb5 s VAL 82 CO 0.15 -0.93 -0.06 0.20 0.00 0.00 0.00 175.10 174.46 2vb5 s ASN 83 N 0.46 4.65 0.14 3.32 0.01 -1.19 -2.84 114.94 119.49 2vb5 s ASN 83 Ca 0.18 -0.12 -0.20 0.00 -0.71 0.00 0.00 52.86 52.02 2vb5 s ASN 83 Cb -0.23 -1.57 0.05 0.00 0.41 0.00 0.00 41.25 39.92 2vb5 s ASN 83 CO -0.01 0.23 0.50 -2.28 -1.51 0.00 0.00 177.10 174.04 2vb5 s HIS 84 N -0.02 -0.38 0.37 2.20 2.46 -1.26 -1.14 115.29 117.52 2vb5 s HIS 84 Ca 0.00 0.12 0.08 0.00 0.47 0.00 0.00 55.06 55.73 2vb5 s HIS 84 Cb -0.13 0.41 0.80 0.00 -0.13 0.00 0.00 32.58 33.53 2vb5 s HIS 84 CO 0.03 -0.78 1.94 0.28 -2.47 0.00 0.00 174.74 173.74 2vb5 h VAL 85 N 2.19 0.96 0.00 0.89 2.07 -1.96 -0.98 116.25 119.42 2vb5 h VAL 85 Ca -0.34 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.86 2vb5 h VAL 85 Cb 1.28 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2vb5 h VAL 85 CO 0.42 0.13 -0.37 0.71 0.02 0.00 0.00 177.57 178.48 2vb5 h THR 86 N 0.69 1.04 -3.66 2.57 1.35 -1.94 -3.43 112.91 109.53 2vb5 h THR 86 Ca 0.34 -1.39 -0.63 0.00 -0.55 0.00 0.00 66.41 64.18 2vb5 h THR 86 Cb 0.41 1.80 -0.14 0.00 -1.73 0.00 0.00 68.15 68.49 2vb5 h THR 86 CO -0.12 0.37 -0.14 -0.76 -0.25 0.00 0.00 175.52 174.61 2vb5 s LEU 87 N -7.52 4.13 0.02 3.87 1.43 -0.37 -4.97 118.68 115.27 2vb5 s LEU 87 Ca -0.01 0.26 -0.25 0.00 -1.03 0.00 0.00 54.13 53.10 2vb5 s LEU 87 Cb 0.13 -2.52 -0.18 0.00 0.03 0.00 0.00 46.19 43.65 2vb5 s LEU 87 CO 0.69 -0.28 1.46 0.77 0.23 0.00 0.00 176.35 179.22 2vb5 h SER 88 N 8.20 -0.03 -2.85 2.29 4.64 -1.83 -3.41 113.55 120.56 2vb5 h SER 88 Ca -0.30 -0.27 -0.60 0.00 -0.47 0.00 0.00 61.79 60.15 2vb5 h SER 88 Cb 1.15 0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 63.20 2vb5 h SER 88 CO 0.69 0.26 -0.50 -1.10 -0.87 0.00 0.00 176.83 175.31 2vb5 s GLN 89 N -5.06 3.38 -0.06 4.77 -1.52 -1.26 -5.07 119.66 114.84 2vb5 s GLN 89 Ca -0.15 -0.51 -0.30 0.00 -1.95 0.00 0.00 55.36 52.46 2vb5 s GLN 89 Cb 0.03 -2.99 -0.02 0.00 -0.22 0.00 0.00 33.01 29.82 2vb5 s GLN 89 CO 0.66 0.58 1.02 -1.25 -0.25 0.00 0.00 175.29 176.05 2vb5 s PRO 90 N -2.67 4.47 -0.60 2.91 0.04 -1.26 -4.90 135.00 132.98 2vb5 s PRO 90 Ca 0.34 1.43 -0.19 0.00 0.04 0.00 0.00 61.00 62.63 2vb5 s PRO 90 Cb -0.12 -3.51 0.11 0.00 0.04 0.00 0.00 34.50 31.02 2vb5 s PRO 90 CO 0.27 -0.23 0.70 0.15 0.04 0.00 0.00 177.00 177.94 2vb5 s LYS 91 N 1.63 3.06 -0.59 4.56 3.01 -1.13 -4.96 119.74 125.31 2vb5 s LYS 91 Ca 0.51 -1.37 -0.26 0.00 -1.01 0.00 0.00 55.97 53.83 2vb5 s LYS 91 Cb -0.20 -4.28 0.04 0.00 -1.01 0.00 0.00 37.83 32.38 2vb5 s LYS 91 CO 0.22 -1.53 1.07 0.42 0.51 0.00 0.00 175.35 176.04 2vb5 s ILE 92 N 2.57 4.18 -0.01 2.17 1.09 -1.26 -0.81 121.20 129.13 2vb5 s ILE 92 Ca 0.11 0.46 -0.20 0.00 -1.10 0.00 0.00 60.65 59.92 2vb5 s ILE 92 Cb -0.24 -4.66 -0.05 0.00 -1.06 0.00 0.00 42.46 36.45 2vb5 s ILE 92 CO 0.05 -1.30 0.57 -0.69 -0.10 0.00 0.00 174.94 173.48 2vb5 s VAL 93 N 4.49 4.93 -0.60 2.92 1.01 -0.27 -4.98 120.40 127.90 2vb5 s VAL 93 Ca 0.35 1.19 -0.22 0.00 0.00 0.00 0.00 61.98 63.30 2vb5 s VAL 93 Cb -0.11 -3.91 0.07 0.00 0.00 0.00 0.00 36.38 32.44 2vb5 s VAL 93 CO 0.20 0.43 0.86 -0.54 0.00 0.00 0.00 175.10 176.05 2vb5 s LYS 94 N -0.23 3.13 -0.32 2.72 1.02 -1.26 -2.89 119.74 121.92 2vb5 s LYS 94 Ca 0.30 -0.85 -0.41 0.00 0.02 0.00 0.00 55.97 55.03 2vb5 s LYS 94 Cb -0.18 -4.19 -0.16 0.00 -0.52 0.00 0.00 37.83 32.78 2vb5 s LYS 94 CO 0.16 -1.62 1.76 1.87 -0.92 0.00 0.00 175.35 176.61 2vb5 n TRP 95 N 7.16 1.99 -2.65 3.18 -0.00 -1.21 -4.92 117.44 120.98 2vb5 n TRP 95 Ca -0.04 0.60 -0.43 0.00 -0.00 0.00 0.00 57.50 57.63 2vb5 n TRP 95 Cb 0.45 -2.43 -0.02 0.00 -0.00 0.00 0.00 31.31 29.31 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 3.73 7.01 -0.44 5.87 3.68 -1.24 -4.94 116.67 130.34 2vb5 s ASP 96 Ca 1.00 1.20 -0.03 0.00 2.13 0.00 0.00 52.55 56.86 2vb5 s ASP 96 Cb -1.13 -2.54 0.16 0.00 -1.45 0.00 0.00 42.92 37.96 2vb5 s ASP 96 CO 0.67 -0.78 2.42 -2.11 0.13 0.00 0.00 175.17 175.50 2vb5 n ARG 97 N 6.61 2.22 0.06 4.34 0.00 -1.26 -4.05 116.66 124.59 2vb5 n ARG 97 Ca 0.12 -2.18 0.00 0.00 -0.00 0.00 0.00 57.85 55.79 2vb5 n ARG 97 Cb 0.47 -1.97 0.00 0.00 -0.00 0.00 0.00 32.46 30.96 2vb5 n ARG 97 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2vb5 n ASP 98 N 0.50 0.53 -0.59 2.89 9.92 -1.26 -4.62 116.55 123.92 2vb5 n ASP 98 Ca 0.43 0.18 0.14 0.00 -0.53 0.00 0.00 54.79 55.01 2vb5 n ASP 98 Cb 0.56 -0.08 0.43 0.00 -0.64 0.00 0.00 41.12 41.38 2vb5 n ASP 98 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56