#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vg5 s SER 2 N 0.00 1.17 -0.31 1.61 0.15 -1.26 -5.02 113.70 110.05 1vg5 s SER 2 Ca 0.00 -0.12 0.07 0.00 0.70 0.00 0.00 55.95 56.60 1vg5 s SER 2 Cb 0.00 -0.46 0.46 0.00 -1.71 0.00 0.00 66.02 64.31 1vg5 s SER 2 CO 0.00 -0.09 1.36 -1.20 1.20 0.00 0.00 173.24 174.50 1vg5 n SER 3 N 4.39 3.83 -4.77 5.45 7.64 -1.26 -5.05 113.62 123.85 1vg5 n SER 3 Ca -0.19 -3.80 -0.36 0.00 1.01 0.00 0.00 58.87 55.52 1vg5 n SER 3 Cb 0.51 -0.53 -0.01 0.00 -1.01 0.00 0.00 64.21 63.17 1vg5 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1vg5 s GLY 4 N -3.06 2.74 0.29 0.23 0.00 -1.26 -5.04 107.32 101.22 1vg5 s GLY 4 Ca 0.48 0.90 0.00 0.00 0.00 0.00 0.00 44.72 46.10 1vg5 s GLY 4 CO -0.00 1.33 0.48 -0.56 0.00 0.00 0.00 173.10 174.35 1vg5 s SER 5 N -1.48 6.34 1.19 1.64 0.01 -1.26 -5.08 113.70 115.05 1vg5 s SER 5 Ca 0.66 0.41 -0.15 0.00 1.31 0.00 0.00 55.95 58.17 1vg5 s SER 5 Cb -0.27 -2.01 0.24 0.00 0.21 0.00 0.00 66.02 64.19 1vg5 s SER 5 CO 0.32 -0.19 0.65 -0.24 0.41 0.00 0.00 173.24 174.20 1vg5 n SER 6 N -1.37 -2.16 0.00 2.44 2.88 -1.26 -5.03 113.62 109.12 1vg5 n SER 6 Ca -0.05 -0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 1vg5 n SER 6 Cb 0.55 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 1vg5 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vg5 n GLY 7 N 1.45 3.07 3.12 0.46 0.00 -1.26 -5.18 105.19 106.85 1vg5 n GLY 7 Ca 0.02 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 1vg5 n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vg5 s SER 8 N 0.00 1.26 0.17 1.61 0.15 -1.26 -5.15 113.70 110.48 1vg5 s SER 8 Ca 0.00 -0.60 -0.09 0.00 0.70 0.00 0.00 55.95 55.97 1vg5 s SER 8 Cb 0.00 -0.00 -0.06 0.00 -1.71 0.00 0.00 66.02 64.24 1vg5 s SER 8 CO 0.00 -0.15 0.48 -0.60 1.20 0.00 0.00 173.24 174.17 1vg5 s ARG 9 N -1.73 3.76 0.24 5.44 3.52 -1.26 -5.10 118.95 123.83 1vg5 s ARG 9 Ca -0.05 0.18 0.11 0.00 -0.13 0.00 0.00 55.73 55.84 1vg5 s ARG 9 Cb -0.10 -2.79 -0.05 0.00 -1.56 0.00 0.00 34.95 30.46 1vg5 s ARG 9 CO 0.01 0.41 -0.16 -1.14 -0.81 0.00 0.00 175.30 173.61 1vg5 s GLN 10 N -2.54 1.79 0.06 5.12 -0.44 -1.26 -5.15 119.66 117.25 1vg5 s GLN 10 Ca 0.42 -1.59 0.07 0.00 -2.50 0.00 0.00 55.36 51.77 1vg5 s GLN 10 Cb -0.12 -1.90 -0.03 0.00 -1.64 0.00 0.00 33.01 29.32 1vg5 s GLN 10 CO 0.21 0.37 -0.20 0.00 0.50 0.00 0.00 175.29 176.16 1vg5 s ALA 11 N -2.18 1.74 0.35 1.58 0.00 -1.26 -5.13 121.76 116.86 1vg5 s ALA 11 Ca 0.27 -1.10 -0.26 0.00 0.00 0.00 0.00 51.96 50.87 1vg5 s ALA 11 Cb -0.06 -0.31 -0.09 0.00 0.00 0.00 0.00 23.12 22.66 1vg5 s ALA 11 CO 0.15 0.38 1.06 -1.25 0.00 0.00 0.00 175.76 176.10 1vg5 s PRO 12 N -1.38 4.36 -0.20 0.00 0.04 -1.26 -5.03 135.00 131.53 1vg5 s PRO 12 Ca 0.07 1.62 -0.09 0.00 0.04 0.00 0.00 61.00 62.64 1vg5 s PRO 12 Cb -0.09 -2.81 -0.05 0.00 0.04 0.00 0.00 34.50 31.59 1vg5 s PRO 12 CO 0.02 0.01 0.11 0.42 0.04 0.00 0.00 177.00 177.61 1vg5 s ILE 13 N -1.45 5.19 -0.10 0.56 -1.09 -1.26 -5.08 121.20 117.97 1vg5 s ILE 13 Ca 0.52 0.11 -0.10 0.00 -2.23 0.00 0.00 60.65 58.96 1vg5 s ILE 13 Cb -0.26 -3.37 0.03 0.00 -1.58 0.00 0.00 42.46 37.28 1vg5 s ILE 13 CO 0.33 0.43 0.28 0.00 -1.23 0.00 0.00 174.94 174.75 1vg5 s ALA 14 N 0.47 -0.68 0.19 9.38 0.00 -1.26 -5.16 121.76 124.69 1vg5 s ALA 14 Ca 0.06 0.74 0.09 0.00 0.00 0.00 0.00 51.96 52.86 1vg5 s ALA 14 Cb -0.12 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 1vg5 s ALA 14 CO -0.00 -0.14 -0.11 1.21 0.00 0.00 0.00 175.76 176.71 1vg5 s ASN 15 N 0.06 4.13 -0.30 0.00 2.47 -1.26 -5.11 114.94 114.93 1vg5 s ASN 15 Ca -0.01 -0.63 -0.09 0.00 0.42 0.00 0.00 52.86 52.55 1vg5 s ASN 15 Cb -0.02 -0.65 -0.01 0.00 -1.45 0.00 0.00 41.25 39.12 1vg5 s ASN 15 CO 0.01 0.10 0.14 0.00 -3.72 0.00 0.00 177.10 173.62 1vg5 s ALA 16 N -1.73 3.24 -0.37 1.71 0.00 -1.26 -5.06 121.76 118.29 1vg5 s ALA 16 Ca 0.25 -1.38 -0.11 0.00 0.00 0.00 0.00 51.96 50.71 1vg5 s ALA 16 Cb -0.09 -2.33 0.03 0.00 0.00 0.00 0.00 23.12 20.73 1vg5 s ALA 16 CO 0.15 -0.88 0.21 0.00 0.00 0.00 0.00 175.76 175.23 1vg5 s ALA 17 N 1.60 3.28 -1.34 0.00 0.00 -1.26 -4.99 121.76 119.04 1vg5 s ALA 17 Ca 0.04 -1.70 -0.11 0.00 0.00 0.00 0.00 51.96 50.19 1vg5 s ALA 17 Cb -0.17 -2.59 0.12 0.00 0.00 0.00 0.00 23.12 20.48 1vg5 s ALA 17 CO 0.06 -1.36 1.99 1.33 0.00 0.00 0.00 175.76 177.77 1vg5 n VAL 18 N 5.00 4.02 -2.50 0.00 0.24 -1.26 -4.97 118.33 118.86 1vg5 n VAL 18 Ca -0.12 -3.91 -0.36 0.00 -2.04 0.00 0.00 64.34 57.91 1vg5 n VAL 18 Cb 0.46 -2.45 -0.03 0.00 -1.47 0.00 0.00 33.84 30.35 1vg5 n VAL 18 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 1vg5 s LEU 19 N 0.83 4.07 0.02 1.34 -0.00 -1.26 -4.99 118.68 118.69 1vg5 s LEU 19 Ca 0.43 2.06 -0.30 0.00 -0.00 0.00 0.00 54.13 56.31 1vg5 s LEU 19 Cb 0.11 -4.25 -0.05 0.00 -0.00 0.00 0.00 46.19 42.00 1vg5 s LEU 19 CO -0.03 -0.60 1.18 -2.16 -0.00 0.00 0.00 176.35 174.74 1vg5 s PRO 20 N -2.64 4.42 0.68 1.48 0.04 -1.26 -5.03 135.00 132.68 1vg5 s PRO 20 Ca 0.60 1.71 -0.02 0.00 0.04 0.00 0.00 61.00 63.33 1vg5 s PRO 20 Cb -0.22 -3.43 0.09 0.00 0.04 0.00 0.00 34.50 30.98 1vg5 s PRO 20 CO 0.27 -0.30 0.95 -1.14 0.04 0.00 0.00 177.00 176.82 1vg5 s GLN 21 N 1.44 1.97 0.18 4.56 0.74 -1.26 -5.10 119.66 122.18 1vg5 s GLN 21 Ca 0.57 -0.81 0.05 0.00 0.05 0.00 0.00 55.36 55.23 1vg5 s GLN 21 Cb -0.27 -2.32 -0.04 0.00 1.10 0.00 0.00 33.01 31.48 1vg5 s GLN 21 CO 0.27 -1.25 0.14 0.45 -0.55 0.00 0.00 175.29 174.35 1vg5 s SER 22 N -4.61 5.52 -0.50 6.67 0.15 -1.26 -5.01 113.70 114.65 1vg5 s SER 22 Ca 0.63 -0.15 -0.26 0.00 0.70 0.00 0.00 55.95 56.87 1vg5 s SER 22 Cb -0.08 -1.43 -0.07 0.00 -1.71 0.00 0.00 66.02 62.72 1vg5 s SER 22 CO 0.43 0.05 2.43 0.00 1.20 0.00 0.00 173.24 177.35 1vg5 n GLN 23 N -0.46 1.01 0.00 5.44 3.00 -1.26 -4.63 117.38 120.48 1vg5 n GLN 23 Ca -0.08 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 1vg5 n GLN 23 Cb 0.55 -3.39 0.00 0.00 0.00 0.00 0.00 30.24 27.40 1vg5 n GLN 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1vg5 n GLY 24 N 6.02 -1.31 2.91 1.08 0.00 -1.26 -5.19 105.19 107.45 1vg5 n GLY 24 Ca 0.38 0.83 -0.10 0.00 0.00 0.00 0.00 46.02 47.13 1vg5 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vg5 n ARG 25 N 0.00 0.75 -4.38 1.61 1.74 -1.26 -5.18 116.66 109.94 1vg5 n ARG 25 Ca 0.00 -2.07 -0.26 0.00 -0.77 0.00 0.00 57.85 54.74 1vg5 n ARG 25 Cb 0.00 2.24 -0.10 0.00 -1.02 0.00 0.00 32.46 33.58 1vg5 n ARG 25 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1vg5 s VAL 26 N -2.52 2.72 0.00 1.55 0.11 -1.26 -5.14 120.40 115.86 1vg5 s VAL 26 Ca 0.19 -1.94 0.00 0.00 -2.93 0.00 0.00 61.98 57.30 1vg5 s VAL 26 Cb -0.02 -2.34 0.00 0.00 -1.53 0.00 0.00 36.38 32.48 1vg5 s VAL 26 CO 0.14 -0.16 0.00 0.00 -3.33 0.00 0.00 175.10 171.75 1vg5 n ALA 27 N 0.03 0.00 -3.26 1.54 0.00 -1.26 -4.62 120.51 112.94 1vg5 n ALA 27 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 1vg5 n ALA 27 Cb 0.56 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.02 1vg5 n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vg5 n ALA 28 N -3.00 -2.12 -2.80 0.00 0.00 -1.26 -4.92 120.51 106.40 1vg5 n ALA 28 Ca 0.00 0.11 -0.35 0.00 0.00 0.00 0.00 53.44 53.20 1vg5 n ALA 28 Cb 0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 18.38 1vg5 n ALA 28 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1vg5 s SER 29 N -1.15 5.83 0.29 0.00 0.01 -1.26 -4.98 113.70 112.43 1vg5 s SER 29 Ca 0.10 0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1vg5 s SER 29 Cb -0.01 -1.89 0.67 0.00 0.21 0.00 0.00 66.02 65.01 1vg5 s SER 29 CO 0.25 0.30 1.47 1.21 0.41 0.00 0.00 173.24 176.89 1vg5 n GLU 30 N 2.68 -0.08 -0.27 12.44 2.13 -1.26 0.10 120.64 136.38 1vg5 n GLU 30 Ca -0.18 1.42 0.00 0.00 0.66 0.00 0.00 57.16 59.06 1vg5 n GLU 30 Cb 0.53 -2.23 0.07 0.00 0.27 0.00 0.00 31.44 30.08 1vg5 n GLU 30 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1vg5 h GLU 31 N 0.00 -0.04 0.95 5.31 4.81 -1.98 0.22 114.58 123.84 1vg5 h GLU 31 Ca 0.55 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.74 1vg5 h GLU 31 Cb 1.10 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.49 1vg5 h GLU 31 CO -0.90 -0.03 -0.46 1.96 -0.73 0.00 0.00 179.01 178.86 1vg5 h GLN 32 N -0.04 -1.23 -0.97 1.92 4.20 0.30 0.76 115.11 120.04 1vg5 h GLN 32 Ca 0.34 0.08 0.30 0.00 0.06 0.00 0.00 58.65 59.44 1vg5 h GLN 32 Cb 0.58 0.28 -0.17 0.00 0.30 0.00 0.00 27.48 28.46 1vg5 h GLN 32 CO -0.81 -0.82 0.21 0.82 -0.67 0.00 0.00 178.83 177.56 1vg5 h ILE 33 N -1.30 0.08 -0.14 2.54 2.04 -0.72 1.18 117.51 121.18 1vg5 h ILE 33 Ca -0.13 -0.02 -0.17 0.00 1.00 0.00 0.00 64.86 65.55 1vg5 h ILE 33 Cb 0.98 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1vg5 h ILE 33 CO 0.21 0.01 -0.56 1.56 0.00 0.00 0.00 178.15 179.38 1vg5 h GLN 34 N 0.05 0.63 -0.13 2.37 1.08 -0.25 1.55 115.11 120.41 1vg5 h GLN 34 Ca 0.66 -0.49 0.04 0.00 -1.45 0.00 0.00 58.65 57.41 1vg5 h GLN 34 Cb 1.47 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.99 1vg5 h GLN 34 CO -0.83 1.11 0.12 0.87 -0.95 0.00 0.00 178.83 179.15 1vg5 h LYS 35 N 0.28 0.00 0.00 1.46 1.57 0.78 0.63 116.57 121.29 1vg5 h LYS 35 Ca -0.03 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.44 1vg5 h LYS 35 Cb 1.19 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.45 1vg5 h LYS 35 CO 0.12 0.00 -1.85 1.28 -0.57 0.00 0.00 179.45 178.43 1vg5 n LEU 36 N -4.05 1.92 -0.21 2.94 4.77 0.22 -4.04 117.00 118.56 1vg5 n LEU 36 Ca 0.00 0.38 0.23 0.00 -0.03 0.00 0.00 56.01 56.60 1vg5 n LEU 36 Cb 0.23 -0.86 0.61 0.00 -2.33 0.00 0.00 43.42 41.07 1vg5 n LEU 36 CO 0.30 0.32 1.24 0.58 -1.33 0.00 0.00 177.39 178.49 1vg5 h VAL 37 N -1.00 0.62 -0.15 4.08 2.07 0.25 1.15 116.25 123.27 1vg5 h VAL 37 Ca -0.47 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 1vg5 h VAL 37 Cb 1.38 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1vg5 h VAL 37 CO -0.28 0.04 -0.17 0.00 0.02 0.00 0.00 177.57 177.18 1vg5 h ALA 38 N 1.59 1.45 0.00 1.67 0.00 0.09 -1.73 119.26 122.33 1vg5 h ALA 38 Ca 0.45 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1vg5 h ALA 38 Cb 1.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1vg5 h ALA 38 CO -0.11 0.39 -0.45 0.52 0.00 0.00 0.00 179.25 179.60 1vg5 h MET 39 N 0.22 0.00 0.00 0.00 2.07 0.12 -3.46 114.93 113.88 1vg5 h MET 39 Ca 0.04 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.67 1vg5 h MET 39 Cb 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.17 1vg5 h MET 39 CO 0.03 0.45 0.00 0.41 1.07 0.00 0.00 176.91 178.87 1vg5 n GLY 40 N 0.46 0.99 3.36 8.32 0.00 -0.65 -5.12 105.19 112.54 1vg5 n GLY 40 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1vg5 n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vg5 s PHE 41 N -1.32 2.08 0.12 1.61 0.08 -1.18 -4.99 117.98 114.38 1vg5 s PHE 41 Ca 0.00 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.35 1vg5 s PHE 41 Cb 0.00 -1.08 -0.06 0.00 -0.57 0.00 0.00 43.02 41.30 1vg5 s PHE 41 CO 0.00 0.35 1.05 0.34 -0.10 0.00 0.00 175.22 176.85 1vg5 s ASP 42 N -2.30 7.35 0.31 1.36 2.15 -1.26 -3.99 116.67 120.28 1vg5 s ASP 42 Ca 0.14 1.93 0.04 0.00 0.43 0.00 0.00 52.55 55.09 1vg5 s ASP 42 Cb -0.09 -2.59 0.80 0.00 -0.30 0.00 0.00 42.92 40.75 1vg5 s ASP 42 CO 0.07 -0.19 1.51 -1.14 -0.17 0.00 0.00 175.17 175.25 1vg5 n ARG 43 N 2.83 -0.07 0.36 4.34 0.63 -1.26 -0.48 116.66 123.01 1vg5 n ARG 43 Ca 0.04 1.43 -0.14 0.00 -0.92 0.00 0.00 57.85 58.26 1vg5 n ARG 43 Cb 0.48 -2.31 -0.07 0.00 0.45 0.00 0.00 32.46 31.01 1vg5 n ARG 43 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1vg5 h THR 44 N 0.00 0.00 -1.98 5.15 2.02 -1.98 -1.58 112.91 114.54 1vg5 h THR 44 Ca 0.61 -0.10 0.57 0.00 0.77 0.00 0.00 66.41 68.27 1vg5 h THR 44 Cb 1.32 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.65 1vg5 h THR 44 CO -0.89 0.00 1.43 0.00 0.37 0.00 0.00 175.52 176.43 1vg5 n GLN 45 N -4.77 0.00 0.04 6.66 6.02 0.37 0.11 117.38 125.81 1vg5 n GLN 45 Ca -0.12 1.08 -0.08 0.00 -0.01 0.00 0.00 57.00 57.88 1vg5 n GLN 45 Cb 0.37 -2.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.08 1vg5 n GLN 45 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1vg5 h VAL 46 N 0.00 0.54 0.12 5.09 2.07 -0.74 -2.94 116.25 120.39 1vg5 h VAL 46 Ca 0.94 -1.13 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1vg5 h VAL 46 Cb 3.78 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 34.47 1vg5 h VAL 46 CO -0.01 0.16 -0.29 -0.33 0.02 0.00 0.00 177.57 177.12 1vg5 h GLU 47 N -0.98 -0.49 -0.38 1.57 5.08 0.18 0.32 114.58 119.88 1vg5 h GLU 47 Ca -0.02 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1vg5 h GLU 47 Cb 0.42 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 1vg5 h GLU 47 CO 0.03 -0.33 -0.32 -0.39 -1.00 0.00 0.00 179.01 177.01 1vg5 h VAL 48 N -0.51 0.00 0.15 3.13 -1.51 -0.45 0.39 116.25 117.45 1vg5 h VAL 48 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.51 1vg5 h VAL 48 Cb 0.54 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.67 1vg5 h VAL 48 CO -0.17 0.00 -0.39 0.00 -1.23 0.00 0.00 177.57 175.78 1vg5 h ALA 49 N -0.39 -0.92 -1.85 5.19 0.00 -1.31 0.21 119.26 120.19 1vg5 h ALA 49 Ca 0.06 -0.10 0.54 0.00 0.00 0.00 0.00 54.91 55.42 1vg5 h ALA 49 Cb 0.29 0.75 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 1vg5 h ALA 49 CO -0.42 -1.00 1.32 1.28 0.00 0.00 0.00 179.25 180.43 1vg5 n LEU 50 N -4.66 0.02 0.21 0.00 4.77 0.11 0.20 117.00 117.65 1vg5 n LEU 50 Ca -0.07 0.98 -0.13 0.00 -0.03 0.00 0.00 56.01 56.76 1vg5 n LEU 50 Cb 0.31 -0.49 -0.07 0.00 -2.33 0.00 0.00 43.42 40.84 1vg5 n LEU 50 CO 0.13 -0.99 0.46 0.00 -1.33 0.00 0.00 177.39 175.66 1vg5 h ALA 51 N 1.00 -0.57 0.00 -1.18 0.00 0.30 0.38 119.26 119.19 1vg5 h ALA 51 Ca 0.90 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 55.53 1vg5 h ALA 51 Cb 3.55 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 21.54 1vg5 h ALA 51 CO -0.05 -0.63 -0.43 0.00 0.00 0.00 0.00 179.25 178.14 1vg5 h ALA 52 N -0.60 1.21 0.00 0.00 0.00 0.25 -2.16 119.26 117.95 1vg5 h ALA 52 Ca -0.06 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 1vg5 h ALA 52 Cb 0.56 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1vg5 h ALA 52 CO 0.10 0.54 -0.36 0.00 0.00 0.00 0.00 179.25 179.53 1vg5 h ALA 53 N 1.57 1.24 -0.23 0.00 0.00 0.23 -3.47 119.26 118.60 1vg5 h ALA 53 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1vg5 h ALA 53 Cb 0.80 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1vg5 h ALA 53 CO 0.06 0.45 0.00 -3.47 0.00 0.00 0.00 179.25 176.29 1vg5 n ASP 54 N -3.88 -1.13 0.00 0.00 2.03 0.18 -3.47 116.55 110.28 1vg5 n ASP 54 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1vg5 n ASP 54 Cb 0.42 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 1vg5 n ASP 54 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1vg5 n ASP 55 N 1.68 -1.98 -4.44 1.67 2.03 0.11 -5.03 116.55 110.60 1vg5 n ASP 55 Ca 0.00 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 1vg5 n ASP 55 Cb 0.45 -0.43 -0.11 0.00 -0.72 0.00 0.00 41.12 40.31 1vg5 n ASP 55 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1vg5 s ASP 56 N -2.85 5.76 -0.01 1.67 1.01 -1.23 -4.96 116.67 116.06 1vg5 s ASP 56 Ca 0.00 -0.70 -0.18 0.00 0.71 0.00 0.00 52.55 52.38 1vg5 s ASP 56 Cb 0.00 -2.05 -0.10 0.00 1.01 0.00 0.00 42.92 41.78 1vg5 s ASP 56 CO 0.00 -0.29 0.83 0.25 0.21 0.00 0.00 175.17 176.17 1vg5 h LEU 57 N 8.43 -0.55 -0.92 1.23 5.85 -1.95 0.23 115.31 127.63 1vg5 h LEU 57 Ca -0.29 0.02 0.17 0.00 0.84 0.00 0.00 57.88 58.62 1vg5 h LEU 57 Cb 1.13 0.14 -0.17 0.00 0.37 0.00 0.00 40.66 42.14 1vg5 h LEU 57 CO 0.65 -0.21 -0.27 0.41 -0.34 0.00 0.00 178.44 178.68 1vg5 n THR 58 N -4.78 -0.41 0.16 1.05 -1.04 -1.26 0.70 114.28 108.71 1vg5 n THR 58 Ca -0.08 2.12 -0.13 0.00 -2.04 0.00 0.00 64.05 63.91 1vg5 n THR 58 Cb 0.26 -2.89 -0.08 0.00 -1.82 0.00 0.00 70.33 65.80 1vg5 n THR 58 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1vg5 h VAL 59 N 0.00 0.66 -0.81 12.58 2.07 -1.95 -3.12 116.25 125.68 1vg5 h VAL 59 Ca 0.41 -0.60 0.11 0.00 0.82 0.00 0.00 66.70 67.43 1vg5 h VAL 59 Cb 0.64 0.95 -0.13 0.00 -1.52 0.00 0.00 31.29 31.23 1vg5 h VAL 59 CO -0.94 0.11 -0.47 0.00 0.02 0.00 0.00 177.57 176.30 1vg5 h ALA 60 N -0.27 -0.25 -0.99 1.67 0.00 0.30 0.31 119.26 120.04 1vg5 h ALA 60 Ca -0.04 0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.16 1vg5 h ALA 60 Cb 0.51 1.09 -0.15 0.00 0.00 0.00 0.00 17.79 19.25 1vg5 h ALA 60 CO 0.07 -0.81 -0.45 0.28 0.00 0.00 0.00 179.25 178.35 1vg5 n VAL 61 N -5.38 -0.57 -0.29 0.00 0.31 0.22 0.19 118.33 112.80 1vg5 n VAL 61 Ca 0.04 2.33 0.09 0.00 -0.01 0.00 0.00 64.34 66.80 1vg5 n VAL 61 Cb 0.34 -3.02 0.25 0.00 -0.91 0.00 0.00 33.84 30.50 1vg5 n VAL 61 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1vg5 h GLU 62 N 0.00 0.50 -0.04 5.55 4.39 -0.35 0.65 114.58 125.27 1vg5 h GLU 62 Ca 0.28 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 1vg5 h GLU 62 Cb 0.53 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1vg5 h GLU 62 CO -0.96 0.33 0.01 0.82 -1.16 0.00 0.00 179.01 178.05 1vg5 h ILE 63 N 0.51 1.19 -0.51 3.13 2.04 0.29 -1.09 117.51 123.07 1vg5 h ILE 63 Ca 0.49 -0.57 0.06 0.00 1.00 0.00 0.00 64.86 65.84 1vg5 h ILE 63 Cb 0.79 1.50 -0.05 0.00 -0.74 0.00 0.00 36.82 38.32 1vg5 h ILE 63 CO -0.43 0.15 0.22 -0.07 0.00 0.00 0.00 178.15 178.02 1vg5 h LEU 64 N -0.16 0.27 -0.11 1.44 -0.00 0.20 -2.23 115.31 114.72 1vg5 h LEU 64 Ca 0.01 0.05 0.03 0.00 -0.00 0.00 0.00 57.88 57.97 1vg5 h LEU 64 Cb 0.24 0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 40.87 1vg5 h LEU 64 CO 0.00 0.18 -0.11 0.24 -0.00 0.00 0.00 178.44 178.75 1vg5 h MET 65 N 0.42 -0.14 -0.98 1.13 2.86 0.41 -2.25 114.93 116.38 1vg5 h MET 65 Ca 0.24 0.01 0.19 0.00 -2.06 0.00 0.00 59.70 58.08 1vg5 h MET 65 Cb 0.21 0.03 -0.18 0.00 0.06 0.00 0.00 31.60 31.72 1vg5 h MET 65 CO -0.21 -0.09 -0.26 0.45 1.06 0.00 0.00 176.91 177.86 1vg5 n SER 66 N -5.26 -0.39 0.19 1.22 2.88 -0.43 -0.04 113.62 111.80 1vg5 n SER 66 Ca -0.04 1.68 -0.17 0.00 -1.33 0.00 0.00 58.87 59.02 1vg5 n SER 66 Cb 0.18 -0.49 -0.09 0.00 -0.75 0.00 0.00 64.21 63.05 1vg5 n SER 66 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1vg5 h GLN 67 N 0.00 -0.80 -6.46 -1.46 4.20 -1.28 -3.40 115.11 105.91 1vg5 h GLN 67 Ca 0.45 0.05 -0.53 0.00 0.06 0.00 0.00 58.65 58.69 1vg5 h GLN 67 Cb 0.70 0.18 0.03 0.00 0.30 0.00 0.00 27.48 28.69 1vg5 h GLN 67 CO -1.00 -0.53 1.15 0.43 -0.67 0.00 0.00 178.83 178.21 1vg5 n SER 68 N -5.51 4.09 -2.65 1.46 7.64 0.94 -4.88 113.62 114.71 1vg5 n SER 68 Ca -0.10 0.96 -0.08 0.00 1.01 0.00 0.00 58.87 60.66 1vg5 n SER 68 Cb 0.42 -1.54 0.06 0.00 -1.01 0.00 0.00 64.21 62.15 1vg5 n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vg5 n GLY 69 N 4.34 -1.76 0.20 0.23 0.00 -1.26 -4.89 105.19 102.04 1vg5 n GLY 69 Ca 0.19 -1.59 -0.18 0.00 0.00 0.00 0.00 46.02 44.44 1vg5 n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vg5 h PRO 70 N 0.00 0.66 -2.56 1.61 0.13 -1.95 -3.41 132.00 126.48 1vg5 h PRO 70 Ca -0.12 -0.65 -0.58 0.00 -0.87 0.00 0.00 66.00 63.78 1vg5 h PRO 70 Cb 0.35 0.17 -0.39 0.00 0.13 0.00 0.00 31.00 31.25 1vg5 h PRO 70 CO 0.08 1.25 -0.86 0.45 -0.23 0.00 0.00 178.00 178.69 1vg5 s SER 71 N -7.18 2.79 -0.23 1.44 0.15 -1.26 -4.99 113.70 104.42 1vg5 s SER 71 Ca -0.09 -2.29 -0.09 0.00 0.70 0.00 0.00 55.95 54.18 1vg5 s SER 71 Cb 0.08 -0.41 0.01 0.00 -1.71 0.00 0.00 66.02 64.00 1vg5 s SER 71 CO 0.90 -0.29 0.20 -0.24 1.20 0.00 0.00 173.24 175.01 1vg5 n SER 72 N 3.90 -6.99 -0.60 5.45 2.88 -1.26 -5.25 113.62 111.75 1vg5 n SER 72 Ca 0.14 0.62 0.07 0.00 -1.33 0.00 0.00 58.87 58.38 1vg5 n SER 72 Cb 0.38 -3.18 0.06 0.00 -0.75 0.00 0.00 64.21 60.72 1vg5 n SER 72 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42