#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vc5 s GLU 5 N 0.00 0.07 0.52 -0.52 4.04 -1.26 -4.94 118.70 116.61 1vc5 s GLU 5 Ca 0.00 0.08 0.08 0.00 0.04 0.00 0.00 54.97 55.17 1vc5 s GLU 5 Cb 0.00 -0.21 0.05 0.00 0.02 0.00 0.00 34.13 33.99 1vc5 s GLU 5 CO 0.00 -0.08 0.64 0.99 -1.84 0.00 0.00 175.26 174.96 1vc5 s THR 6 N 0.59 2.30 0.37 1.83 2.01 -1.26 -5.07 115.64 116.41 1vc5 s THR 6 Ca -0.05 -1.12 -0.27 0.00 0.31 0.00 0.00 61.69 60.56 1vc5 s THR 6 Cb -0.08 -2.42 -0.09 0.00 0.01 0.00 0.00 72.50 69.93 1vc5 s THR 6 CO -0.02 0.00 1.19 -0.13 -0.69 0.00 0.00 174.62 174.97 1vc5 s ARG 7 N -4.48 4.21 -0.62 4.92 1.81 -1.26 -4.79 118.95 118.74 1vc5 s ARG 7 Ca 0.54 1.91 -0.32 0.00 -1.72 0.00 0.00 55.73 56.14 1vc5 s ARG 7 Cb -0.06 -2.84 -0.14 0.00 -0.45 0.00 0.00 34.95 31.46 1vc5 s ARG 7 CO 0.34 -0.21 2.42 -2.30 -0.68 0.00 0.00 175.30 174.87 1vc5 n PRO 8 N 0.40 0.61 -2.95 3.54 -0.02 -1.26 -4.73 135.00 130.59 1vc5 n PRO 8 Ca 0.03 0.09 -0.19 0.00 -2.02 0.00 0.00 63.50 61.41 1vc5 n PRO 8 Cb 0.45 -2.32 0.02 0.00 -0.02 0.00 0.00 33.50 31.63 1vc5 n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1vc5 s ASN 9 N 9.12 5.59 0.28 2.55 3.84 -1.26 -5.02 114.94 130.03 1vc5 s ASN 9 Ca 1.16 -0.26 0.10 0.00 0.21 0.00 0.00 52.86 54.08 1vc5 s ASN 9 Cb -0.86 -0.81 0.37 0.00 -0.55 0.00 0.00 41.25 39.40 1vc5 s ASN 9 CO 0.44 -0.83 1.62 0.45 -2.79 0.00 0.00 177.10 175.99 1vc5 h HIS 10 N 0.49 0.02 -3.04 0.43 3.86 -1.92 -3.44 115.15 111.55 1vc5 h HIS 10 Ca -0.41 -0.01 -0.66 0.00 -1.16 0.00 0.00 60.37 58.13 1vc5 h HIS 10 Cb 1.28 -0.00 -0.10 0.00 1.06 0.00 0.00 27.41 29.65 1vc5 h HIS 10 CO 0.40 0.61 -0.56 0.99 0.86 0.00 0.00 177.93 180.23 1vc5 s THR 11 N -3.65 4.83 -0.27 2.45 2.01 -1.26 -1.53 115.64 118.21 1vc5 s THR 11 Ca -0.02 -0.24 -0.06 0.00 0.31 0.00 0.00 61.69 61.68 1vc5 s THR 11 Cb 0.13 -3.15 -0.00 0.00 0.01 0.00 0.00 72.50 69.48 1vc5 s THR 11 CO 0.76 0.46 0.05 0.27 -0.69 0.00 0.00 174.62 175.47 1vc5 s ILE 12 N -1.10 3.87 -0.60 1.82 -4.36 -0.95 -1.60 121.20 118.28 1vc5 s ILE 12 Ca 0.19 -0.58 -0.27 0.00 -0.26 0.00 0.00 60.65 59.73 1vc5 s ILE 12 Cb -0.12 -2.92 0.01 0.00 1.25 0.00 0.00 42.46 40.68 1vc5 s ILE 12 CO 0.10 0.19 1.51 -0.47 0.24 0.00 0.00 174.94 176.51 1vc5 s TYR 13 N 1.51 2.11 -0.22 1.37 6.14 0.13 -2.90 117.35 125.49 1vc5 s TYR 13 Ca 0.04 0.45 -0.09 0.00 0.64 0.00 0.00 57.07 58.10 1vc5 s TYR 13 Cb -0.16 -4.36 -0.04 0.00 0.42 0.00 0.00 41.96 37.82 1vc5 s TYR 13 CO 0.01 -2.12 0.11 -1.50 0.64 0.00 0.00 175.55 172.70 1vc5 s ILE 14 N 6.74 5.04 0.33 3.14 2.07 -0.64 0.74 121.20 138.61 1vc5 s ILE 14 Ca 0.54 0.06 0.05 0.00 -1.41 0.00 0.00 60.65 59.89 1vc5 s ILE 14 Cb -0.11 -3.32 -0.02 0.00 0.13 0.00 0.00 42.46 39.14 1vc5 s ILE 14 CO 0.22 0.39 0.17 -0.46 -1.91 0.00 0.00 174.94 173.35 1vc5 n ASN 15 N 4.09 0.52 -1.45 4.50 6.94 0.65 0.87 115.26 131.40 1vc5 n ASN 15 Ca -0.16 -2.87 -0.12 0.00 -0.02 0.00 0.00 54.58 51.41 1vc5 n ASN 15 Cb 0.52 1.09 -0.00 0.00 -2.36 0.00 0.00 39.78 39.02 1vc5 n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1vc5 n ASN 16 N -1.70 -3.91 -4.94 0.53 2.85 -0.65 -2.09 115.26 105.36 1vc5 n ASN 16 Ca -0.01 -0.03 -0.25 0.00 -0.11 0.00 0.00 54.58 54.18 1vc5 n ASN 16 Cb 0.52 -3.07 0.05 0.00 1.24 0.00 0.00 39.78 38.52 1vc5 n ASN 16 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1vc5 s LEU 17 N -3.57 2.99 -0.03 1.20 1.43 -0.07 -4.64 118.68 116.00 1vc5 s LEU 17 Ca 0.02 0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 53.22 1vc5 s LEU 17 Cb -0.01 -3.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.03 1vc5 s LEU 17 CO 0.03 -1.40 1.49 0.21 0.23 0.00 0.00 176.35 176.91 1vc5 s ASN 18 N -4.46 6.78 0.10 2.29 3.84 -1.26 -4.70 114.94 117.52 1vc5 s ASN 18 Ca 0.58 2.15 -0.03 0.00 0.21 0.00 0.00 52.86 55.77 1vc5 s ASN 18 Cb -0.11 -2.55 -0.21 0.00 -0.55 0.00 0.00 41.25 37.83 1vc5 s ASN 18 CO 0.43 -0.80 1.20 -0.33 -2.79 0.00 0.00 177.10 174.81 1vc5 h GLU 19 N 8.42 0.28 0.00 0.43 5.08 -1.95 -3.32 114.58 123.51 1vc5 h GLU 19 Ca -0.37 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 57.56 1vc5 h GLU 19 Cb 1.17 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 1vc5 h GLU 19 CO 0.93 1.16 -0.07 0.87 -1.00 0.00 0.00 179.01 180.90 1vc5 h LYS 20 N 0.10 0.00 -6.81 2.33 1.57 -2.01 -3.43 116.57 108.32 1vc5 h LYS 20 Ca -0.11 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.15 1vc5 h LYS 20 Cb 1.84 0.00 0.05 0.00 0.08 0.00 0.00 32.23 34.19 1vc5 h LYS 20 CO 0.19 0.07 0.61 0.42 -0.57 0.00 0.00 179.45 180.16 1vc5 s ILE 21 N -4.78 3.00 0.83 1.86 -1.09 -1.25 -5.02 121.20 114.76 1vc5 s ILE 21 Ca -0.04 0.95 -0.11 0.00 -2.23 0.00 0.00 60.65 59.21 1vc5 s ILE 21 Cb 0.16 -3.60 0.09 0.00 -1.58 0.00 0.00 42.46 37.53 1vc5 s ILE 21 CO 0.65 0.20 1.09 -0.54 -1.23 0.00 0.00 174.94 175.11 1vc5 s LYS 22 N -1.27 1.75 0.03 2.79 -0.14 -1.26 -4.88 119.74 116.75 1vc5 s LYS 22 Ca 0.50 1.05 -0.18 0.00 -1.36 0.00 0.00 55.97 55.97 1vc5 s LYS 22 Cb -0.37 -1.85 -0.10 0.00 -1.68 0.00 0.00 37.83 33.83 1vc5 s LYS 22 CO 0.47 -1.96 1.22 -0.22 -0.76 0.00 0.00 175.35 174.09 1vc5 h LYS 23 N -1.36 -0.63 -0.09 1.68 3.64 -1.95 -2.20 116.57 115.66 1vc5 h LYS 23 Ca -0.46 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.94 1vc5 h LYS 23 Cb 1.26 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.21 1vc5 h LYS 23 CO 0.52 -0.42 -0.04 0.22 -2.27 0.00 0.00 179.45 177.46 1vc5 h ASP 24 N -0.68 0.11 -0.14 4.20 3.58 -1.96 0.49 116.42 122.02 1vc5 h ASP 24 Ca -0.07 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.32 1vc5 h ASP 24 Cb 0.50 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.52 1vc5 h ASP 24 CO 0.11 0.18 -0.12 -0.08 -2.88 0.00 0.00 179.24 176.46 1vc5 h GLU 25 N 0.12 0.32 -0.43 0.28 4.81 -1.96 -2.83 114.58 114.89 1vc5 h GLU 25 Ca 0.03 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 58.99 1vc5 h GLU 25 Cb 0.17 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1vc5 h GLU 25 CO 0.01 0.70 -0.18 1.25 -0.73 0.00 0.00 179.01 180.06 1vc5 h LEU 26 N -0.04 0.83 -2.38 1.64 5.85 -0.94 -1.09 115.31 119.18 1vc5 h LEU 26 Ca 0.02 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1vc5 h LEU 26 Cb 0.63 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 1vc5 h LEU 26 CO 0.03 1.00 -0.02 0.50 -0.34 0.00 0.00 178.44 179.62 1vc5 h LYS 27 N 0.73 0.00 0.05 1.25 3.64 -0.94 -1.62 116.57 119.69 1vc5 h LYS 27 Ca 0.11 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.12 1vc5 h LYS 27 Cb 0.70 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.47 1vc5 h LYS 27 CO 0.05 0.02 -2.22 1.17 -2.27 0.00 0.00 179.45 176.20 1vc5 n LYS 28 N -3.19 0.70 0.06 1.90 3.00 -1.03 -3.94 118.16 115.65 1vc5 n LYS 28 Ca -0.02 0.19 -0.04 0.00 -0.00 0.00 0.00 58.31 58.45 1vc5 n LYS 28 Cb 0.16 -1.62 0.19 0.00 0.00 0.00 0.00 35.03 33.76 1vc5 n LYS 28 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1vc5 h SER 29 N 0.03 0.35 -0.39 3.14 0.02 -0.98 0.22 113.55 115.95 1vc5 h SER 29 Ca -0.49 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.23 1vc5 h SER 29 Cb 1.99 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 64.42 1vc5 h SER 29 CO 0.01 0.73 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.30 1vc5 h LEU 30 N 0.28 0.72 -1.22 5.07 3.38 -1.51 -2.93 115.31 119.10 1vc5 h LEU 30 Ca 0.03 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1vc5 h LEU 30 Cb 0.85 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1vc5 h LEU 30 CO 0.07 0.89 0.17 -0.74 0.09 0.00 0.00 178.44 178.93 1vc5 h HIS 31 N 0.53 0.72 0.00 1.13 2.76 -1.61 -1.28 115.15 117.40 1vc5 h HIS 31 Ca 0.10 -0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 1vc5 h HIS 31 Cb 0.56 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 29.30 1vc5 h HIS 31 CO 0.05 0.57 -0.09 0.00 -1.30 0.00 0.00 177.93 177.16 1vc5 h ALA 32 N 1.49 1.55 -0.08 5.26 0.00 -0.77 -1.81 119.26 124.89 1vc5 h ALA 32 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1vc5 h ALA 32 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1vc5 h ALA 32 CO -0.01 0.11 0.00 0.44 0.00 0.00 0.00 179.25 179.79 1vc5 n ILE 33 N -3.99 0.36 0.02 0.00 -5.35 -1.04 -4.59 119.36 104.76 1vc5 n ILE 33 Ca -0.02 -0.68 0.00 0.00 -0.27 0.00 0.00 62.75 61.78 1vc5 n ILE 33 Cb 0.18 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 1vc5 n ILE 33 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1vc5 n PHE 34 N 0.30 0.00 -0.50 4.28 3.01 -0.51 -4.77 117.46 119.27 1vc5 n PHE 34 Ca 0.05 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.44 1vc5 n PHE 34 Cb 0.24 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.73 1vc5 n PHE 34 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1vc5 n SER 35 N -0.45 5.46 0.00 4.37 3.41 -0.70 -3.51 113.62 122.20 1vc5 n SER 35 Ca 0.00 -2.67 0.00 0.00 -0.26 0.00 0.00 58.87 55.95 1vc5 n SER 35 Cb 0.01 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 1vc5 n SER 35 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1vc5 n ARG 36 N 0.82 2.40 0.10 4.33 1.85 -1.26 -4.82 116.66 120.09 1vc5 n ARG 36 Ca 0.14 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.80 1vc5 n ARG 36 Cb 0.57 -0.80 -0.12 0.00 -1.05 0.00 0.00 32.46 31.05 1vc5 n ARG 36 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 1vc5 h PHE 37 N 0.00 0.79 -1.24 2.89 0.04 -1.90 -3.49 116.94 114.03 1vc5 h PHE 37 Ca 0.00 -0.53 0.38 0.00 2.80 0.00 0.00 57.97 60.62 1vc5 h PHE 37 Cb 0.33 -0.05 -0.13 0.00 2.20 0.00 0.00 35.95 38.30 1vc5 h PHE 37 CO 0.00 1.39 0.95 0.20 -0.60 0.00 0.00 178.31 180.24 1vc5 s GLY 38 N -4.54 -0.45 -0.39 -1.45 0.00 -1.26 -4.55 107.32 94.68 1vc5 s GLY 38 Ca -0.07 0.80 -0.28 0.00 0.00 0.00 0.00 44.72 45.17 1vc5 s GLY 38 CO 0.91 0.79 1.68 1.62 0.00 0.00 0.00 173.10 178.10 1vc5 s GLN 39 N -2.13 3.32 0.02 2.90 0.74 -1.26 -4.75 119.66 118.51 1vc5 s GLN 39 Ca 0.16 1.16 -0.30 0.00 0.05 0.00 0.00 55.36 56.43 1vc5 s GLN 39 Cb 0.06 -4.17 -0.04 0.00 1.10 0.00 0.00 33.01 29.96 1vc5 s GLN 39 CO -0.06 -1.87 1.07 0.42 -0.55 0.00 0.00 175.29 174.30 1vc5 s ILE 40 N 6.68 4.52 -0.11 -2.34 1.01 -1.26 -2.65 121.20 127.05 1vc5 s ILE 40 Ca 0.72 1.81 -0.21 0.00 0.00 0.00 0.00 60.65 62.97 1vc5 s ILE 40 Cb -0.18 -4.16 -0.18 0.00 0.01 0.00 0.00 42.46 37.95 1vc5 s ILE 40 CO 0.32 0.14 0.63 -0.07 0.00 0.00 0.00 174.94 175.96 1vc5 h LEU 41 N 6.82 -0.03 -7.00 2.97 3.38 -1.56 -3.49 115.31 116.40 1vc5 h LEU 41 Ca -0.41 -0.63 0.05 0.00 0.09 0.00 0.00 57.88 56.97 1vc5 h LEU 41 Cb 1.22 0.01 -0.25 0.00 0.09 0.00 0.00 40.66 41.72 1vc5 h LEU 41 CO 0.78 0.75 0.37 -0.62 0.09 0.00 0.00 178.44 179.81 1vc5 s ASP 42 N -5.91 -0.53 -0.16 -0.43 2.15 -1.26 -5.06 116.67 105.47 1vc5 s ASP 42 Ca -0.13 0.99 -0.13 0.00 0.43 0.00 0.00 52.55 53.71 1vc5 s ASP 42 Cb -0.02 1.04 -0.05 0.00 -0.30 0.00 0.00 42.92 43.60 1vc5 s ASP 42 CO 0.49 -0.17 0.26 -0.63 -0.17 0.00 0.00 175.17 174.96 1vc5 s ILE 43 N 0.46 5.32 -0.31 4.11 1.01 -1.26 -2.67 121.20 127.87 1vc5 s ILE 43 Ca 0.00 0.48 -0.09 0.00 0.00 0.00 0.00 60.65 61.05 1vc5 s ILE 43 Cb -0.05 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1vc5 s ILE 43 CO -0.07 0.42 0.13 -0.76 0.00 0.00 0.00 174.94 174.66 1vc5 s LEU 44 N 0.29 4.08 -0.11 2.97 1.43 -0.12 -4.95 118.68 122.28 1vc5 s LEU 44 Ca 0.15 -0.63 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1vc5 s LEU 44 Cb -0.13 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.14 1vc5 s LEU 44 CO 0.03 -0.21 -0.18 -0.69 0.23 0.00 0.00 176.35 175.53 1vc5 s VAL 45 N 1.57 1.69 0.21 -1.59 1.01 -1.26 -1.82 120.40 120.21 1vc5 s VAL 45 Ca 0.04 -0.77 0.10 0.00 0.00 0.00 0.00 61.98 61.35 1vc5 s VAL 45 Cb -0.17 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1vc5 s VAL 45 CO 0.05 0.48 -0.16 -0.55 0.00 0.00 0.00 175.10 174.92 1vc5 s SER 46 N 0.79 3.86 -0.13 3.32 0.15 -1.26 -5.04 113.70 115.39 1vc5 s SER 46 Ca -0.10 -0.77 0.18 0.00 0.70 0.00 0.00 55.95 55.96 1vc5 s SER 46 Cb -0.16 -0.48 0.30 0.00 -1.71 0.00 0.00 66.02 63.96 1vc5 s SER 46 CO 0.01 0.09 1.17 0.54 1.20 0.00 0.00 173.24 176.25 1vc5 n ARG 47 N -0.07 1.56 -0.85 5.44 5.12 -1.26 -4.33 116.66 122.27 1vc5 n ARG 47 Ca -0.10 -2.54 -0.20 0.00 -1.93 0.00 0.00 57.85 53.08 1vc5 n ARG 47 Cb 0.57 -1.50 0.16 0.00 -1.16 0.00 0.00 32.46 30.52 1vc5 n ARG 47 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1vc5 n SER 48 N -1.28 -1.24 0.24 0.55 7.64 -1.26 -4.83 113.62 113.44 1vc5 n SER 48 Ca 0.16 -1.05 -0.10 0.00 1.01 0.00 0.00 58.87 58.89 1vc5 n SER 48 Cb 0.64 -0.67 -0.05 0.00 -1.01 0.00 0.00 64.21 63.12 1vc5 n SER 48 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1vc5 h LEU 49 N 0.00 -0.53 0.02 -3.43 5.85 -1.97 -3.10 115.31 112.14 1vc5 h LEU 49 Ca -0.28 0.02 -0.26 0.00 0.84 0.00 0.00 57.88 58.20 1vc5 h LEU 49 Cb 0.82 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 1vc5 h LEU 49 CO 0.19 -0.28 -1.42 0.07 -0.34 0.00 0.00 178.44 176.65 1vc5 h LYS 50 N -0.83 0.03 0.00 1.25 2.10 -2.01 -3.35 116.57 113.77 1vc5 h LYS 50 Ca -0.06 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1vc5 h LYS 50 Cb 0.48 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1vc5 h LYS 50 CO 0.11 0.77 0.00 -1.33 -2.00 0.00 0.00 179.45 177.00 1vc5 n MET 51 N -3.22 0.38 -1.84 0.07 2.81 -1.26 -4.79 117.12 109.27 1vc5 n MET 51 Ca -0.11 0.08 -0.30 0.00 -1.81 0.00 0.00 57.70 55.56 1vc5 n MET 51 Cb 1.01 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 32.06 1vc5 n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1vc5 s ARG 52 N -2.39 2.94 0.00 0.03 1.70 -1.17 -4.16 118.95 115.90 1vc5 s ARG 52 Ca 0.21 0.55 0.00 0.00 -0.47 0.00 0.00 55.73 56.03 1vc5 s ARG 52 Cb 0.13 -2.02 0.00 0.00 -0.57 0.00 0.00 34.95 32.49 1vc5 s ARG 52 CO 0.27 -1.00 0.00 0.41 -1.08 0.00 0.00 175.30 173.90 1vc5 n GLY 53 N -2.83 2.87 3.82 3.88 0.00 -1.26 -4.99 105.19 106.68 1vc5 n GLY 53 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1vc5 n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vc5 s GLN 54 N -0.22 2.23 0.15 1.61 -0.21 -1.26 -0.89 119.66 121.07 1vc5 s GLN 54 Ca 0.00 -2.12 -0.24 0.00 0.02 0.00 0.00 55.36 53.03 1vc5 s GLN 54 Cb 0.00 -1.88 0.07 0.00 1.00 0.00 0.00 33.01 32.20 1vc5 s GLN 54 CO 0.00 -0.43 0.69 0.00 -2.12 0.00 0.00 175.29 173.42 1vc5 s ALA 55 N -2.78 -1.58 -0.23 6.09 0.00 0.25 -4.59 121.76 118.92 1vc5 s ALA 55 Ca 0.26 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1vc5 s ALA 55 Cb 0.00 0.79 0.06 0.00 0.00 0.00 0.00 23.12 23.97 1vc5 s ALA 55 CO 0.15 -0.81 -0.04 -0.06 0.00 0.00 0.00 175.76 175.00 1vc5 s PHE 56 N -3.64 2.25 -0.55 0.00 0.40 -0.76 -1.63 117.98 114.05 1vc5 s PHE 56 Ca 0.04 -1.68 -0.17 0.00 -0.60 0.00 0.00 56.93 54.52 1vc5 s PHE 56 Cb -0.02 -1.55 0.12 0.00 0.51 0.00 0.00 43.02 42.08 1vc5 s PHE 56 CO -0.08 -0.76 0.57 0.08 0.70 0.00 0.00 175.22 175.72 1vc5 s VAL 57 N 1.44 5.07 -0.24 -0.44 1.01 -1.14 -0.94 120.40 125.16 1vc5 s VAL 57 Ca -0.04 -1.28 -0.29 0.00 0.00 0.00 0.00 61.98 60.36 1vc5 s VAL 57 Cb -0.19 -4.38 0.01 0.00 0.00 0.00 0.00 36.38 31.82 1vc5 s VAL 57 CO -0.07 -0.95 1.12 -0.63 0.00 0.00 0.00 175.10 174.58 1vc5 s ILE 58 N 2.00 4.50 0.01 2.22 1.01 -1.09 -2.25 121.20 127.61 1vc5 s ILE 58 Ca 0.06 1.78 0.00 0.00 0.00 0.00 0.00 60.65 62.50 1vc5 s ILE 58 Cb -0.28 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 1vc5 s ILE 58 CO 0.04 -0.27 0.08 -0.36 0.00 0.00 0.00 174.94 174.43 1vc5 s PHE 59 N 3.48 3.25 -0.02 3.97 0.08 -0.58 -1.35 117.98 126.81 1vc5 s PHE 59 Ca 0.48 0.17 -0.07 0.00 0.12 0.00 0.00 56.93 57.64 1vc5 s PHE 59 Cb -0.16 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 1vc5 s PHE 59 CO 0.12 0.54 0.45 -0.22 -0.10 0.00 0.00 175.22 176.01 1vc5 h LYS 60 N 3.97 -0.24 -6.55 0.44 3.11 -1.77 -3.43 116.57 112.11 1vc5 h LYS 60 Ca -0.49 0.02 -0.52 0.00 -2.81 0.00 0.00 60.65 56.85 1vc5 h LYS 60 Cb 1.18 0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 32.43 1vc5 h LYS 60 CO 0.63 -0.16 0.24 -2.00 -2.81 0.00 0.00 179.45 175.35 1vc5 s GLU 61 N -2.42 4.64 0.22 1.90 2.12 -1.26 -4.98 118.70 118.93 1vc5 s GLU 61 Ca -0.04 1.26 -0.05 0.00 0.36 0.00 0.00 54.97 56.51 1vc5 s GLU 61 Cb 0.00 -3.29 0.20 0.00 0.26 0.00 0.00 34.13 31.30 1vc5 s GLU 61 CO 0.11 0.48 1.67 0.28 -0.54 0.00 0.00 175.26 177.25 1vc5 h VAL 62 N 3.48 1.26 0.00 3.70 2.07 -1.91 -2.76 116.25 122.09 1vc5 h VAL 62 Ca -0.46 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 65.85 1vc5 h VAL 62 Cb 1.21 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1vc5 h VAL 62 CO 0.68 0.42 -0.02 0.77 0.02 0.00 0.00 177.57 179.44 1vc5 h SER 63 N 0.75 0.00 0.07 0.57 4.64 -1.95 -0.82 113.55 116.82 1vc5 h SER 63 Ca 0.12 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1vc5 h SER 63 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1vc5 h SER 63 CO 0.04 0.02 -0.03 0.28 -0.87 0.00 0.00 176.83 176.26 1vc5 h SER 64 N 0.00 -0.08 0.50 4.97 0.02 -1.73 -2.83 113.55 114.40 1vc5 h SER 64 Ca -0.00 -0.37 -0.03 0.00 -0.84 0.00 0.00 61.79 60.55 1vc5 h SER 64 Cb 0.04 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 1vc5 h SER 64 CO 0.00 0.34 -0.16 0.00 -1.14 0.00 0.00 176.83 175.87 1vc5 h ALA 65 N 0.35 1.22 -0.29 3.77 0.00 -1.43 0.53 119.26 123.41 1vc5 h ALA 65 Ca -0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1vc5 h ALA 65 Cb 0.45 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1vc5 h ALA 65 CO 0.02 0.20 -0.03 1.15 0.00 0.00 0.00 179.25 180.59 1vc5 h THR 66 N 0.00 1.27 0.00 0.00 2.02 -1.15 -2.58 112.91 112.47 1vc5 h THR 66 Ca -0.00 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1vc5 h THR 66 Cb 0.46 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1vc5 h THR 66 CO 0.02 0.32 -0.28 -1.13 0.37 0.00 0.00 175.52 174.82 1vc5 h ASN 67 N 0.32 0.00 1.12 4.18 -0.00 -1.23 -3.18 115.58 116.79 1vc5 h ASN 67 Ca 0.08 -0.01 -0.07 0.00 -0.00 0.00 0.00 56.30 56.31 1vc5 h ASN 67 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.79 1vc5 h ASN 67 CO 0.02 0.00 -0.32 0.00 -0.00 0.00 0.00 177.43 177.13 1vc5 h ALA 68 N 2.04 0.92 0.08 1.57 0.00 -0.85 -2.96 119.26 120.04 1vc5 h ALA 68 Ca 0.00 -0.29 -0.21 0.00 0.00 0.00 0.00 54.91 54.41 1vc5 h ALA 68 Cb 0.98 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1vc5 h ALA 68 CO 0.00 0.40 -1.06 1.25 0.00 0.00 0.00 179.25 179.84 1vc5 h LEU 69 N 0.00 0.25 -0.78 0.00 5.85 -1.50 -3.23 115.31 115.90 1vc5 h LEU 69 Ca -0.00 -0.82 -0.06 0.00 0.84 0.00 0.00 57.88 57.83 1vc5 h LEU 69 Cb 0.97 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1vc5 h LEU 69 CO 0.04 1.46 -0.28 0.03 -0.34 0.00 0.00 178.44 179.35 1vc5 h ARG 70 N -0.57 0.00 0.09 1.25 3.08 -1.64 -2.89 114.38 113.70 1vc5 h ARG 70 Ca -0.24 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.45 1vc5 h ARG 70 Cb 1.52 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.54 1vc5 h ARG 70 CO 0.01 0.28 -2.05 0.43 -1.07 0.00 0.00 179.97 177.56 1vc5 n SER 71 N -3.34 1.87 -0.83 7.04 7.64 -1.12 -4.36 113.62 120.52 1vc5 n SER 71 Ca 0.01 0.17 0.11 0.00 1.01 0.00 0.00 58.87 60.17 1vc5 n SER 71 Cb 0.51 -0.62 0.29 0.00 -1.01 0.00 0.00 64.21 63.37 1vc5 n SER 71 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1vc5 n MET 72 N -3.36 2.08 -2.02 1.43 2.81 -1.22 -4.86 117.12 111.98 1vc5 n MET 72 Ca -0.32 -1.64 -0.42 0.00 -1.81 0.00 0.00 57.70 53.50 1vc5 n MET 72 Cb 1.04 -1.44 -0.03 0.00 -0.71 0.00 0.00 33.22 32.09 1vc5 n MET 72 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1vc5 s GLN 73 N -1.61 4.20 0.00 0.03 2.00 -1.09 -2.45 119.66 120.74 1vc5 s GLN 73 Ca 0.35 2.19 0.00 0.00 -2.00 0.00 0.00 55.36 55.90 1vc5 s GLN 73 Cb 0.19 -3.82 0.00 0.00 0.80 0.00 0.00 33.01 30.18 1vc5 s GLN 73 CO 0.27 -0.77 0.00 0.41 -0.50 0.00 0.00 175.29 174.70 1vc5 n GLY 74 N 4.02 0.60 3.67 2.59 0.00 -0.14 -4.97 105.19 110.96 1vc5 n GLY 74 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1vc5 n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1vc5 s PHE 75 N -2.56 2.64 0.26 1.61 5.36 -1.03 -4.36 117.98 119.90 1vc5 s PHE 75 Ca 0.00 0.75 -0.30 0.00 -0.96 0.00 0.00 56.93 56.41 1vc5 s PHE 75 Cb 0.00 -3.66 -0.13 0.00 -0.34 0.00 0.00 43.02 38.89 1vc5 s PHE 75 CO 0.00 -2.47 1.32 -2.30 -1.46 0.00 0.00 175.22 170.31 1vc5 n PRO 76 N 6.28 1.92 -3.42 10.12 -0.02 -1.26 -2.32 135.00 146.31 1vc5 n PRO 76 Ca 0.14 0.68 -0.10 0.00 -2.02 0.00 0.00 63.50 62.20 1vc5 n PRO 76 Cb 0.44 -2.28 -0.09 0.00 -0.02 0.00 0.00 33.50 31.55 1vc5 n PRO 76 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1vc5 s PHE 77 N -0.41 -0.73 -1.33 6.00 5.36 0.17 -4.87 117.98 122.17 1vc5 s PHE 77 Ca 0.65 0.85 -0.03 0.00 -0.96 0.00 0.00 56.93 57.44 1vc5 s PHE 77 Cb -0.65 0.01 0.02 0.00 -0.34 0.00 0.00 43.02 42.05 1vc5 s PHE 77 CO 0.54 -0.66 0.84 0.66 -1.46 0.00 0.00 175.22 175.14 1vc5 n TYR 78 N 5.36 -2.10 -2.18 10.12 4.01 -1.26 -1.99 117.16 129.11 1vc5 n TYR 78 Ca -0.05 0.88 -0.20 0.00 -0.16 0.00 0.00 57.90 58.38 1vc5 n TYR 78 Cb 0.50 -4.50 -0.03 0.00 -0.31 0.00 0.00 39.34 35.00 1vc5 n TYR 78 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1vc5 n ASP 79 N -3.03 -5.67 -3.77 7.72 3.85 -1.26 -4.86 116.55 109.52 1vc5 n ASP 79 Ca -0.22 0.11 -0.17 0.00 -0.71 0.00 0.00 54.79 53.80 1vc5 n ASP 79 Cb 0.64 -4.75 -0.16 0.00 -1.35 0.00 0.00 41.12 35.50 1vc5 n ASP 79 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1vc5 s LYS 80 N -4.68 0.12 0.13 0.11 1.02 -0.84 -5.10 119.74 110.50 1vc5 s LYS 80 Ca 0.00 0.17 -0.31 0.00 0.02 0.00 0.00 55.97 55.85 1vc5 s LYS 80 Cb 0.00 -0.41 -0.08 0.00 -0.52 0.00 0.00 37.83 36.82 1vc5 s LYS 80 CO 0.00 -0.19 1.30 -1.25 -0.92 0.00 0.00 175.35 174.29 1vc5 s PRO 81 N 1.26 4.39 -0.30 -1.68 0.04 -1.26 0.45 135.00 137.89 1vc5 s PRO 81 Ca -0.07 1.96 -0.28 0.00 0.04 0.00 0.00 61.00 62.65 1vc5 s PRO 81 Cb -0.13 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.16 1vc5 s PRO 81 CO -0.03 -0.30 1.04 -1.64 0.04 0.00 0.00 177.00 176.12 1vc5 s MET 82 N 0.63 4.09 -0.54 4.56 -1.94 -0.98 -4.76 119.30 120.36 1vc5 s MET 82 Ca 0.60 1.08 -0.16 0.00 -1.71 0.00 0.00 55.69 55.49 1vc5 s MET 82 Cb -0.34 -3.72 0.12 0.00 2.01 0.00 0.00 34.83 32.90 1vc5 s MET 82 CO 0.33 -0.83 0.51 0.50 -0.01 0.00 0.00 175.02 175.52 1vc5 s ARG 83 N 3.51 3.00 0.04 2.03 3.52 -0.89 -0.96 118.95 129.19 1vc5 s ARG 83 Ca 0.44 -1.60 0.02 0.00 -0.13 0.00 0.00 55.73 54.47 1vc5 s ARG 83 Cb -0.13 -4.27 -0.04 0.00 -1.56 0.00 0.00 34.95 28.95 1vc5 s ARG 83 CO 0.13 -1.31 0.02 0.42 -0.81 0.00 0.00 175.30 173.75 1vc5 s ILE 84 N 1.76 4.25 0.29 4.11 1.01 -1.26 -0.25 121.20 131.10 1vc5 s ILE 84 Ca 0.04 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 60.01 1vc5 s ILE 84 Cb -0.28 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 1vc5 s ILE 84 CO 0.04 0.26 0.25 -1.10 0.00 0.00 0.00 174.94 174.39 1vc5 s GLN 85 N -1.93 1.60 0.36 2.79 -0.21 0.23 -4.97 119.66 117.52 1vc5 s GLN 85 Ca 0.23 -1.87 -0.14 0.00 0.02 0.00 0.00 55.36 53.61 1vc5 s GLN 85 Cb -0.12 0.32 -0.08 0.00 1.00 0.00 0.00 33.01 34.13 1vc5 s GLN 85 CO 0.15 -0.58 0.76 0.71 -2.12 0.00 0.00 175.29 174.21 1vc5 s TYR 86 N -3.64 3.41 0.34 0.91 2.02 -1.26 0.21 117.35 119.34 1vc5 s TYR 86 Ca 0.39 1.18 -0.28 0.00 -0.37 0.00 0.00 57.07 58.00 1vc5 s TYR 86 Cb 0.03 -2.53 -0.09 0.00 -0.40 0.00 0.00 41.96 38.98 1vc5 s TYR 86 CO 0.22 -0.00 1.20 0.00 -1.57 0.00 0.00 175.55 175.40 1vc5 s ALA 87 N -2.15 3.34 0.27 3.71 0.00 -0.63 -4.34 121.76 121.97 1vc5 s ALA 87 Ca 0.54 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.54 1vc5 s ALA 87 Cb -0.10 -3.40 0.37 0.00 0.00 0.00 0.00 23.12 19.99 1vc5 s ALA 87 CO 0.22 -0.47 1.78 -0.22 0.00 0.00 0.00 175.76 177.07 1vc5 h LYS 88 N 3.21 0.76 -4.46 0.00 3.64 -1.92 -3.42 116.57 114.37 1vc5 h LYS 88 Ca -0.48 -0.19 -0.17 0.00 -1.27 0.00 0.00 60.65 58.53 1vc5 h LYS 88 Cb 1.23 -0.09 -0.15 0.00 -0.41 0.00 0.00 32.23 32.80 1vc5 h LYS 88 CO 0.65 0.76 -0.69 -0.08 -2.27 0.00 0.00 179.45 177.82 1vc5 s THR 89 N -5.00 0.47 0.35 1.00 -1.32 -1.26 -4.97 115.64 104.91 1vc5 s THR 89 Ca -0.09 -1.88 -0.28 0.00 -1.21 0.00 0.00 61.69 58.23 1vc5 s THR 89 Cb 0.15 -1.61 -0.10 0.00 -1.51 0.00 0.00 72.50 69.43 1vc5 s THR 89 CO 0.80 -0.93 1.28 -1.81 -2.21 0.00 0.00 174.62 171.75 1vc5 s ASP 90 N -2.99 6.67 0.72 8.08 -0.00 -1.26 -4.89 116.67 123.01 1vc5 s ASP 90 Ca 0.10 2.61 -0.12 0.00 -0.00 0.00 0.00 52.55 55.15 1vc5 s ASP 90 Cb 0.07 -2.64 0.03 0.00 -0.00 0.00 0.00 42.92 40.37 1vc5 s ASP 90 CO -0.07 -0.59 1.08 -0.44 -0.00 0.00 0.00 175.17 175.15 1vc5 s SER 91 N -0.64 4.92 0.43 0.27 0.01 -1.26 -4.78 113.70 112.65 1vc5 s SER 91 Ca 0.51 1.79 0.11 0.00 1.31 0.00 0.00 55.95 59.67 1vc5 s SER 91 Cb -0.38 -2.52 0.96 0.00 0.21 0.00 0.00 66.02 64.29 1vc5 s SER 91 CO 0.50 -1.75 2.03 0.44 0.41 0.00 0.00 173.24 174.87 1vc5 h ASP 92 N -0.74 0.39 -0.36 2.44 5.19 -1.98 0.16 116.42 121.52 1vc5 h ASP 92 Ca -0.44 -0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 55.83 1vc5 h ASP 92 Cb 1.23 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.64 1vc5 h ASP 92 CO 0.54 0.27 -0.27 0.40 -3.12 0.00 0.00 179.24 177.05 1vc5 h ILE 93 N 0.45 1.27 -0.05 0.35 1.08 -2.00 -2.29 117.51 116.33 1vc5 h ILE 93 Ca 0.19 -1.43 -0.18 0.00 -0.39 0.00 0.00 64.86 63.05 1vc5 h ILE 93 Cb 0.19 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 1vc5 h ILE 93 CO -0.05 0.48 -0.74 0.40 -0.69 0.00 0.00 178.15 177.55 1vc5 h ILE 94 N 0.75 1.41 0.00 -0.67 1.08 -1.63 -3.06 117.51 115.39 1vc5 h ILE 94 Ca 0.09 -2.24 -0.04 0.00 -0.39 0.00 0.00 64.86 62.28 1vc5 h ILE 94 Cb 0.83 2.19 -0.01 0.00 -3.07 0.00 0.00 36.82 36.77 1vc5 h ILE 94 CO 0.07 0.66 -0.20 0.00 -0.69 0.00 0.00 178.15 178.00 1vc5 h ALA 95 N 1.01 1.40 0.00 1.87 0.00 -0.62 -2.34 119.26 120.58 1vc5 h ALA 95 Ca -0.03 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1vc5 h ALA 95 Cb 1.31 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1vc5 h ALA 95 CO 0.12 0.25 -0.46 0.87 0.00 0.00 0.00 179.25 180.03 1vc5 h LYS 96 N 0.00 0.00 0.34 0.00 1.57 -1.31 -3.32 116.57 113.85 1vc5 h LYS 96 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1vc5 h LYS 96 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1vc5 h LYS 96 CO 0.03 0.46 -0.16 0.52 -0.57 0.00 0.00 179.45 179.72 1vc5 h MET 97 N 0.00 -0.44 0.00 3.15 2.86 -1.43 -3.52 114.93 115.55 1vc5 h MET 97 Ca -0.00 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1vc5 h MET 97 Cb 1.01 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.77 1vc5 h MET 97 CO 0.06 -0.20 0.00 0.36 1.06 0.00 0.00 176.91 178.19