#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vvq s MET 4 N 0.00 4.45 0.06 1.61 1.00 -1.26 -4.81 119.30 120.35 2vvq s MET 4 Ca 0.00 1.07 -0.31 0.00 0.00 0.00 0.00 55.69 56.46 2vvq s MET 4 Cb 0.00 -3.04 -0.07 0.00 0.00 0.00 0.00 34.83 31.72 2vvq s MET 4 CO 0.00 0.46 1.45 0.50 0.00 0.00 0.00 175.02 177.43 2vvq s ARG 5 N -1.60 4.28 -0.17 2.03 3.52 -1.26 -0.32 118.95 125.42 2vvq s ARG 5 Ca 0.41 2.09 -0.00 0.00 -0.13 0.00 0.00 55.73 58.09 2vvq s ARG 5 Cb -0.20 -3.43 0.04 0.00 -1.56 0.00 0.00 34.95 29.80 2vvq s ARG 5 CO 0.24 -0.55 -0.07 0.08 -0.81 0.00 0.00 175.30 174.19 2vvq s VAL 6 N 1.88 1.29 -0.18 7.11 1.01 -0.26 -1.43 120.40 129.81 2vvq s VAL 6 Ca 0.66 -0.74 -0.26 0.00 0.00 0.00 0.00 61.98 61.64 2vvq s VAL 6 Cb -0.35 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 2vvq s VAL 6 CO 0.29 0.16 0.88 -0.31 0.00 0.00 0.00 175.10 176.12 2vvq s TYR 7 N 1.56 3.40 0.01 5.22 1.51 0.09 0.40 117.35 129.54 2vvq s TYR 7 Ca 0.00 1.30 0.05 0.00 -1.01 0.00 0.00 57.07 57.42 2vvq s TYR 7 Cb -0.15 -3.07 -0.03 0.00 -0.11 0.00 0.00 41.96 38.60 2vvq s TYR 7 CO -0.08 -0.30 -0.15 -0.51 -1.11 0.00 0.00 175.55 173.41 2vvq s LEU 8 N 2.38 2.75 -0.04 -1.29 1.02 0.60 -0.53 118.68 123.57 2vvq s LEU 8 Ca 0.39 -0.31 -0.05 0.00 0.02 0.00 0.00 54.13 54.18 2vvq s LEU 8 Cb -0.16 -1.59 0.01 0.00 0.02 0.00 0.00 46.19 44.46 2vvq s LEU 8 CO 0.11 0.28 0.13 -0.83 0.02 0.00 0.00 176.35 176.06 2vvq s GLY 9 N -1.26 -0.06 -0.06 -3.19 0.00 -0.51 -0.10 107.32 102.13 2vvq s GLY 9 Ca 0.14 0.26 -0.29 0.00 0.00 0.00 0.00 44.72 44.83 2vvq s GLY 9 CO 0.05 0.19 0.64 0.00 0.00 0.00 0.00 173.10 173.98 2vvq s ALA 10 N -0.21 -1.67 0.75 3.20 0.00 -0.09 -0.49 121.76 123.24 2vvq s ALA 10 Ca -0.03 1.27 -0.02 0.00 0.00 0.00 0.00 51.96 53.17 2vvq s ALA 10 Cb -0.02 -0.07 0.14 0.00 0.00 0.00 0.00 23.12 23.17 2vvq s ALA 10 CO 0.00 -0.36 0.93 -0.40 0.00 0.00 0.00 175.76 175.93 2vvq n ASP 11 N 1.07 1.01 0.02 0.00 5.75 -1.07 -0.12 116.55 123.21 2vvq n ASP 11 Ca -0.19 -1.91 0.20 0.00 -0.01 0.00 0.00 54.79 52.88 2vvq n ASP 11 Cb 0.57 -0.62 0.70 0.00 -1.03 0.00 0.00 41.12 40.74 2vvq n ASP 11 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 2vvq h HIS 12 N -0.76 0.00 0.00 2.11 2.07 -1.83 -0.71 115.15 116.03 2vvq h HIS 12 Ca -0.30 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.18 2vvq h HIS 12 Cb 1.07 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.04 2vvq h HIS 12 CO 0.00 0.00 -0.17 0.00 -3.07 0.00 0.00 177.93 174.69 2vvq h ALA 13 N 1.72 0.92 -0.02 6.11 0.00 -1.89 -3.01 119.26 123.09 2vvq h ALA 13 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2vvq h ALA 13 Cb 0.97 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2vvq h ALA 13 CO -0.00 0.21 -0.03 0.41 0.00 0.00 0.00 179.25 179.84 2vvq n GLY 14 N 0.76 -0.15 0.14 0.00 0.00 -0.53 -4.31 105.19 101.10 2vvq n GLY 14 Ca 0.02 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 2vvq n GLY 14 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2vvq h TYR 15 N 2.40 -0.23 -0.43 1.61 3.20 -1.04 -0.22 116.97 122.26 2vvq h TYR 15 Ca 0.00 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 2vvq h TYR 15 Cb 0.52 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 2vvq h TYR 15 CO 0.00 -0.14 -0.03 0.93 -1.64 0.00 0.00 178.16 177.27 2vvq h GLU 16 N -0.18 0.72 -0.38 1.82 4.39 -1.87 -2.27 114.58 116.81 2vvq h GLU 16 Ca 0.02 -0.20 -0.09 0.00 0.34 0.00 0.00 59.36 59.43 2vvq h GLU 16 Cb 0.20 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2vvq h GLU 16 CO -0.07 0.76 -0.13 1.25 -1.16 0.00 0.00 179.01 179.66 2vvq h LEU 17 N 0.67 0.77 -0.66 1.33 5.85 -1.84 -2.54 115.31 118.89 2vvq h LEU 17 Ca 0.13 -0.38 0.10 0.00 0.84 0.00 0.00 57.88 58.56 2vvq h LEU 17 Cb 0.46 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 2vvq h LEU 17 CO 0.02 0.98 0.29 0.50 -0.34 0.00 0.00 178.44 179.89 2vvq h LYS 18 N 0.56 0.48 -0.37 1.25 3.64 -0.70 0.20 116.57 121.63 2vvq h LYS 18 Ca 0.09 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2vvq h LYS 18 Cb 0.66 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 2vvq h LYS 18 CO 0.05 0.32 0.12 1.96 -2.27 0.00 0.00 179.45 179.62 2vvq h GLN 19 N 0.49 0.58 -0.79 1.90 1.08 -1.35 0.20 115.11 117.21 2vvq h GLN 19 Ca 0.33 -0.12 0.05 0.00 -1.45 0.00 0.00 58.65 57.46 2vvq h GLN 19 Cb 0.39 -0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.68 2vvq h GLN 19 CO -0.30 0.59 0.48 0.00 -0.95 0.00 0.00 178.83 178.66 2vvq h ARG 20 N 0.46 0.87 -0.46 1.46 2.47 -0.95 -2.25 114.38 115.97 2vvq h ARG 20 Ca 0.12 -0.05 -0.11 0.00 -1.26 0.00 0.00 59.98 58.68 2vvq h ARG 20 Cb 0.25 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 2vvq h ARG 20 CO -0.00 0.58 -0.13 0.82 0.56 0.00 0.00 179.97 181.79 2vvq h ILE 21 N 0.90 1.27 -0.50 2.04 2.04 0.04 -1.31 117.51 121.98 2vvq h ILE 21 Ca 0.34 -1.26 0.04 0.00 1.00 0.00 0.00 64.86 64.98 2vvq h ILE 21 Cb 0.14 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 2vvq h ILE 21 CO -0.16 0.43 0.27 0.40 0.00 0.00 0.00 178.15 179.09 2vvq h ILE 22 N 0.74 0.98 -0.38 -0.67 2.04 -0.44 0.17 117.51 119.95 2vvq h ILE 22 Ca 0.11 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 2vvq h ILE 22 Cb 0.68 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2vvq h ILE 22 CO 0.05 0.10 0.15 -0.08 0.00 0.00 0.00 178.15 178.37 2vvq h GLU 23 N 0.52 0.57 -0.53 2.37 4.57 -1.27 -1.50 114.58 119.31 2vvq h GLU 23 Ca 0.21 -0.11 0.01 0.00 -1.18 0.00 0.00 59.36 58.30 2vvq h GLU 23 Cb 0.10 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 2vvq h GLU 23 CO -0.14 0.55 0.35 1.25 -1.18 0.00 0.00 179.01 179.84 2vvq h HIS 24 N 0.47 0.66 -0.62 0.92 2.76 -0.82 -2.01 115.15 116.50 2vvq h HIS 24 Ca 0.13 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.26 2vvq h HIS 24 Cb 0.19 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 28.90 2vvq h HIS 24 CO -0.00 0.41 0.18 -0.07 -1.30 0.00 0.00 177.93 177.15 2vvq h LEU 25 N 0.71 0.89 0.02 0.26 3.38 -0.53 -1.49 115.31 118.55 2vvq h LEU 25 Ca 0.19 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2vvq h LEU 25 Cb -0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2vvq h LEU 25 CO -0.04 0.85 -0.05 0.11 0.09 0.00 0.00 178.44 179.39 2vvq h LYS 26 N 0.92 -0.10 0.00 1.13 1.57 -1.02 -0.25 116.57 118.82 2vvq h LYS 26 Ca 0.20 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 2vvq h LYS 26 Cb 0.29 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2vvq h LYS 26 CO -0.01 -0.07 -0.09 1.96 -0.57 0.00 0.00 179.45 180.68 2vvq h GLN 27 N -0.11 0.00 -0.54 3.15 4.20 -0.88 -2.21 115.11 118.73 2vvq h GLN 27 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2vvq h GLN 27 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2vvq h GLN 27 CO -0.04 0.09 0.00 0.25 -0.67 0.00 0.00 178.83 178.46 2vvq n THR 28 N -3.80 2.23 -0.34 -0.54 -2.24 -0.61 -4.96 114.28 104.03 2vvq n THR 28 Ca -0.02 -1.39 0.00 0.00 -2.27 0.00 0.00 64.05 60.37 2vvq n THR 28 Cb 0.19 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 2vvq n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vvq n GLY 29 N 0.62 0.67 3.96 3.38 0.00 -0.83 -4.86 105.19 108.13 2vvq n GLY 29 Ca 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 2vvq n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2vvq s HIS 30 N -2.68 2.28 -0.66 1.61 3.76 -0.13 -2.39 115.29 117.08 2vvq s HIS 30 Ca 0.00 0.07 0.03 0.00 -0.15 0.00 0.00 55.06 55.01 2vvq s HIS 30 Cb 0.00 -3.14 0.16 0.00 1.11 0.00 0.00 32.58 30.72 2vvq s HIS 30 CO 0.00 -1.54 0.46 -2.00 -0.85 0.00 0.00 174.74 170.80 2vvq s GLU 31 N -5.18 2.44 0.21 1.40 2.12 0.56 -4.31 118.70 115.94 2vvq s GLU 31 Ca 0.63 -3.01 -0.30 0.00 0.36 0.00 0.00 54.97 52.65 2vvq s GLU 31 Cb -0.08 -3.51 -0.09 0.00 0.26 0.00 0.00 34.13 30.71 2vvq s GLU 31 CO 0.44 -1.21 1.34 -1.25 -0.54 0.00 0.00 175.26 174.03 2vvq s PRO 32 N -0.90 4.36 -0.18 4.30 0.04 -1.26 -1.11 135.00 140.25 2vvq s PRO 32 Ca 0.22 2.10 0.01 0.00 0.04 0.00 0.00 61.00 63.37 2vvq s PRO 32 Cb -0.14 -3.18 0.03 0.00 0.04 0.00 0.00 34.50 31.25 2vvq s PRO 32 CO -0.09 -0.29 -0.17 0.42 0.04 0.00 0.00 177.00 176.91 2vvq s ILE 33 N 0.10 1.93 -0.35 0.56 1.01 0.16 -4.90 121.20 119.72 2vvq s ILE 33 Ca 0.57 -0.95 -0.21 0.00 0.00 0.00 0.00 60.65 60.07 2vvq s ILE 33 Cb -0.38 -1.81 0.00 0.00 0.01 0.00 0.00 42.46 40.29 2vvq s ILE 33 CO 0.39 0.44 0.64 -0.62 0.00 0.00 0.00 174.94 175.79 2vvq s ASP 34 N 1.32 6.44 0.00 3.58 3.68 -1.26 -0.29 116.67 130.14 2vvq s ASP 34 Ca 0.03 0.21 0.28 0.00 2.13 0.00 0.00 52.55 55.20 2vvq s ASP 34 Cb -0.14 -2.33 1.05 0.00 -1.45 0.00 0.00 42.92 40.05 2vvq s ASP 34 CO -0.11 -0.58 1.74 0.00 0.13 0.00 0.00 175.17 176.35 2vvq n GLY 36 N 1.24 1.18 3.76 0.00 0.00 -1.26 -4.87 105.19 105.25 2vvq n GLY 36 Ca 0.16 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 2vvq n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vvq s ALA 37 N -2.12 3.73 -0.49 4.61 0.00 0.82 -0.91 121.76 127.39 2vvq s ALA 37 Ca 0.00 1.59 0.24 0.00 0.00 0.00 0.00 51.96 53.79 2vvq s ALA 37 Cb 0.00 -3.65 0.37 0.00 0.00 0.00 0.00 23.12 19.84 2vvq s ALA 37 CO 0.00 -1.02 1.47 -0.07 0.00 0.00 0.00 175.76 176.14 2vvq h LEU 38 N 4.52 0.00 -8.27 0.00 3.38 -1.91 -3.46 115.31 109.57 2vvq h LEU 38 Ca -0.48 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.30 2vvq h LEU 38 Cb 1.22 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.82 2vvq h LEU 38 CO 0.77 0.02 -0.69 -0.60 0.09 0.00 0.00 178.44 178.03 2vvq s ARG 39 N -3.21 0.64 -0.05 1.13 3.52 -1.26 -5.12 118.95 114.60 2vvq s ARG 39 Ca 0.06 -1.19 -0.30 0.00 -0.13 0.00 0.00 55.73 54.17 2vvq s ARG 39 Cb 0.09 0.09 -0.05 0.00 -1.56 0.00 0.00 34.95 33.52 2vvq s ARG 39 CO 0.69 -0.08 1.51 -0.47 -0.81 0.00 0.00 175.30 176.14 2vvq s TYR 40 N -3.61 2.44 -0.24 5.12 5.04 -1.26 -4.93 117.35 119.91 2vvq s TYR 40 Ca 0.06 0.54 -0.04 0.00 -2.44 0.00 0.00 57.07 55.19 2vvq s TYR 40 Cb 0.06 -3.77 0.08 0.00 0.35 0.00 0.00 41.96 38.67 2vvq s TYR 40 CO -0.08 -3.05 0.09 0.34 -1.34 0.00 0.00 175.55 171.51 2vvq s ASP 41 N 2.57 3.16 0.48 4.32 -1.08 -1.26 -5.03 116.67 119.83 2vvq s ASP 41 Ca 0.67 -1.06 0.29 0.00 -0.52 0.00 0.00 52.55 51.93 2vvq s ASP 41 Cb -0.31 -0.45 1.60 0.00 -1.46 0.00 0.00 42.92 42.29 2vvq s ASP 41 CO 0.26 -0.38 1.89 0.00 0.52 0.00 0.00 175.17 177.46 2vvq h ALA 42 N 8.33 1.06 -0.02 3.66 0.00 -1.94 -1.70 119.26 128.66 2vvq h ALA 42 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2vvq h ALA 42 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2vvq h ALA 42 CO 0.38 -0.06 -0.00 -0.25 0.00 0.00 0.00 179.25 179.32 2vvq n ASP 43 N -2.58 2.25 -4.77 0.00 8.00 -1.26 -4.93 116.55 113.27 2vvq n ASP 43 Ca -0.02 -1.63 -0.30 0.00 0.71 0.00 0.00 54.79 53.55 2vvq n ASP 43 Cb 0.12 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.33 2vvq n ASP 43 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2vvq s ASP 44 N -1.26 4.12 -0.23 -2.24 1.47 -0.64 -5.01 116.67 112.88 2vvq s ASP 44 Ca 0.18 1.43 -0.02 0.00 1.18 0.00 0.00 52.55 55.31 2vvq s ASP 44 Cb 0.13 -2.14 0.01 0.00 -0.34 0.00 0.00 42.92 40.58 2vvq s ASP 44 CO 0.19 -2.22 -0.08 -1.81 0.68 0.00 0.00 175.17 171.93 2vvq s ASP 45 N -3.67 4.11 0.34 2.11 1.01 -1.26 -4.66 116.67 114.64 2vvq s ASP 45 Ca 0.62 -0.63 0.06 0.00 0.71 0.00 0.00 52.55 53.31 2vvq s ASP 45 Cb -0.16 -1.67 0.73 0.00 1.01 0.00 0.00 42.92 42.83 2vvq s ASP 45 CO 0.55 -0.06 1.88 0.10 0.21 0.00 0.00 175.17 177.85 2vvq h TYR 46 N 8.05 0.90 -0.36 4.23 -0.00 -1.95 -3.35 116.97 124.50 2vvq h TYR 46 Ca -0.39 0.03 0.08 0.00 0.00 0.00 0.00 58.73 58.45 2vvq h TYR 46 Cb 1.14 -0.29 -0.08 0.00 0.00 0.00 0.00 36.73 37.50 2vvq h TYR 46 CO 0.56 0.37 -0.18 -1.35 -0.00 0.00 0.00 178.16 177.56 2vvq h PRO 47 N 0.79 -0.11 -0.83 0.10 0.11 -1.96 -2.65 132.00 127.45 2vvq h PRO 47 Ca 0.44 0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.68 2vvq h PRO 47 Cb 0.57 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 31.62 2vvq h PRO 47 CO -0.20 -0.08 0.44 0.00 -0.21 0.00 0.00 178.00 177.95 2vvq h ALA 48 N 1.14 1.22 -0.11 -0.75 0.00 -2.00 -0.05 119.26 118.70 2vvq h ALA 48 Ca 0.18 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 2vvq h ALA 48 Cb 0.40 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2vvq h ALA 48 CO -0.43 -0.02 -0.48 0.74 0.00 0.00 0.00 179.25 179.05 2vvq h PHE 49 N 0.68 0.35 0.22 0.00 -1.00 -1.71 -1.53 116.94 113.94 2vvq h PHE 49 Ca 0.43 -0.11 -0.29 0.00 2.81 0.00 0.00 57.97 60.81 2vvq h PHE 49 Cb 0.53 -0.07 0.03 0.00 3.61 0.00 0.00 35.95 40.05 2vvq h PHE 49 CO -0.08 0.72 -1.30 0.00 -1.61 0.00 0.00 178.31 176.04 2vvq h ILE 51 N -0.01 1.24 0.57 0.00 2.04 -1.06 0.56 117.51 120.85 2vvq h ILE 51 Ca -0.23 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 2vvq h ILE 51 Cb 2.01 -0.13 0.01 0.00 -0.74 0.00 0.00 36.82 37.96 2vvq h ILE 51 CO 0.24 0.23 -0.28 0.00 0.00 0.00 0.00 178.15 178.34 2vvq h ALA 52 N 1.34 -0.77 -0.52 1.87 0.00 -1.27 -0.23 119.26 119.67 2vvq h ALA 52 Ca 0.34 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.14 2vvq h ALA 52 Cb -0.15 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 2vvq h ALA 52 CO -0.07 -0.89 0.16 0.00 0.00 0.00 0.00 179.25 178.45 2vvq h ALA 53 N -0.48 0.63 -0.36 0.00 0.00 -1.21 -1.27 119.26 116.57 2vvq h ALA 53 Ca -0.08 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2vvq h ALA 53 Cb 0.63 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2vvq h ALA 53 CO 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.14 2vvq h ALA 54 N 1.37 0.49 -0.40 0.00 0.00 -0.85 -1.35 119.26 118.52 2vvq h ALA 54 Ca 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2vvq h ALA 54 Cb 0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2vvq h ALA 54 CO -0.28 0.25 0.23 1.15 0.00 0.00 0.00 179.25 180.60 2vvq h THR 55 N 0.45 1.14 -0.52 0.00 2.02 -0.81 -1.48 112.91 113.71 2vvq h THR 55 Ca 0.10 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 2vvq h THR 55 Cb 0.46 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2vvq h THR 55 CO 0.02 0.15 -0.01 0.03 0.37 0.00 0.00 175.52 176.08 2vvq h ARG 56 N 0.52 0.89 -0.14 6.66 3.08 -1.17 -1.19 114.38 123.02 2vvq h ARG 56 Ca 0.14 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 2vvq h ARG 56 Cb 0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2vvq h ARG 56 CO -0.02 0.89 0.07 1.15 -1.07 0.00 0.00 179.97 180.99 2vvq h THR 57 N 0.82 1.11 -0.48 2.04 2.02 -1.04 -2.33 112.91 115.06 2vvq h THR 57 Ca 0.15 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 66.94 2vvq h THR 57 Cb 0.50 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 2vvq h THR 57 CO 0.03 0.10 -0.01 0.58 0.37 0.00 0.00 175.52 176.59 2vvq h VAL 58 N 0.12 1.24 0.00 3.16 2.07 -1.10 -2.16 116.25 119.58 2vvq h VAL 58 Ca 0.05 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.56 2vvq h VAL 58 Cb 0.10 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2vvq h VAL 58 CO -0.01 0.36 0.00 0.00 0.02 0.00 0.00 177.57 177.94 2vvq n ALA 59 N -2.48 2.20 -3.47 1.67 0.00 -0.47 -4.21 120.51 113.75 2vvq n ALA 59 Ca 0.02 -0.11 -0.26 0.00 0.00 0.00 0.00 53.44 53.09 2vvq n ALA 59 Cb 0.30 -1.37 -0.09 0.00 0.00 0.00 0.00 19.45 18.29 2vvq n ALA 59 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2vvq n ASP 60 N -1.25 1.61 -4.64 0.00 2.03 -0.81 -5.06 116.55 108.43 2vvq n ASP 60 Ca 0.12 -2.93 -0.44 0.00 0.52 0.00 0.00 54.79 52.06 2vvq n ASP 60 Cb 0.17 -0.65 -0.02 0.00 -0.72 0.00 0.00 41.12 39.90 2vvq n ASP 60 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2vvq n PRO 61 N 1.77 1.70 0.00 -0.67 -0.02 -1.26 -1.42 135.00 135.10 2vvq n PRO 61 Ca 0.25 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2vvq n PRO 61 Cb 0.44 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2vvq n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vvq n GLY 62 N 1.28 2.78 3.90 -1.23 0.00 -1.26 -5.06 105.19 105.59 2vvq n GLY 62 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2vvq n GLY 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vvq s SER 63 N -1.37 5.83 0.35 1.61 1.04 -0.51 -4.71 113.70 115.94 2vvq s SER 63 Ca 0.00 1.03 0.04 0.00 0.48 0.00 0.00 55.95 57.50 2vvq s SER 63 Cb 0.00 -2.05 -0.06 0.00 0.10 0.00 0.00 66.02 64.01 2vvq s SER 63 CO 0.00 -1.00 0.05 -0.76 0.98 0.00 0.00 173.24 172.52 2vvq s LEU 64 N -5.08 2.28 0.01 2.42 1.43 -0.52 -4.93 118.68 114.30 2vvq s LEU 64 Ca 0.54 -1.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.23 2vvq s LEU 64 Cb -0.11 -0.46 -0.01 0.00 0.03 0.00 0.00 46.19 45.64 2vvq s LEU 64 CO 0.49 -0.60 0.01 -0.83 0.23 0.00 0.00 176.35 175.64 2vvq s GLY 65 N -3.53 0.18 -0.05 -3.19 0.00 0.89 -0.73 107.32 100.87 2vvq s GLY 65 Ca 0.35 -0.43 0.01 0.00 0.00 0.00 0.00 44.72 44.65 2vvq s GLY 65 CO 0.16 -0.50 -0.05 -0.42 0.00 0.00 0.00 173.10 172.28 2vvq s ILE 66 N -1.27 0.63 -0.05 0.90 1.01 0.31 -2.33 121.20 120.40 2vvq s ILE 66 Ca -0.14 -0.15 0.06 0.00 0.00 0.00 0.00 60.65 60.42 2vvq s ILE 66 Cb -0.08 -0.66 -0.01 0.00 0.01 0.00 0.00 42.46 41.71 2vvq s ILE 66 CO -0.00 0.26 -0.24 0.68 0.00 0.00 0.00 174.94 175.63 2vvq s VAL 67 N 1.05 2.17 -0.02 2.92 -7.23 -0.11 -1.43 120.40 117.76 2vvq s VAL 67 Ca -0.09 -1.04 0.04 0.00 -1.81 0.00 0.00 61.98 59.09 2vvq s VAL 67 Cb -0.14 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 35.01 2vvq s VAL 67 CO -0.01 0.57 -0.14 -0.76 -0.31 0.00 0.00 175.10 174.46 2vvq s LEU 68 N -0.30 1.99 0.00 1.32 1.02 0.35 -1.29 118.68 121.77 2vvq s LEU 68 Ca 0.01 -0.25 0.00 0.00 0.02 0.00 0.00 54.13 53.91 2vvq s LEU 68 Cb -0.13 -0.72 0.00 0.00 0.02 0.00 0.00 46.19 45.37 2vvq s LEU 68 CO 0.02 0.16 0.00 0.61 0.02 0.00 0.00 176.35 177.16 2vvq n GLY 69 N 2.84 4.43 0.39 -3.19 0.00 -1.12 -2.60 105.19 105.93 2vvq n GLY 69 Ca -0.15 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.71 2vvq n GLY 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2vvq h GLY 70 N 0.00 -1.01 0.80 -0.02 0.00 -1.86 0.43 103.07 101.41 2vvq h GLY 70 Ca 0.00 0.37 -0.19 0.00 0.00 0.00 0.00 47.33 47.52 2vvq h GLY 70 CO 0.00 -0.37 -1.59 -1.14 0.00 0.00 0.00 176.54 173.45 2vvq n SER 71 N -5.18 0.70 0.00 0.19 3.41 -1.26 -1.20 113.62 110.28 2vvq n SER 71 Ca -0.12 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 2vvq n SER 71 Cb 0.38 0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 2vvq n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2vvq n GLY 72 N 1.44 1.21 0.19 5.00 0.00 -1.25 -2.36 105.19 109.41 2vvq n GLY 72 Ca -0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 2vvq n GLY 72 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2vvq h ASN 73 N 0.00 0.69 -0.67 1.61 2.35 -1.94 -1.84 115.58 115.78 2vvq h ASN 73 Ca 0.00 -0.53 0.08 0.00 -0.55 0.00 0.00 56.30 55.30 2vvq h ASN 73 Cb 0.00 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.13 2vvq h ASN 73 CO 0.00 1.09 0.44 1.23 -1.65 0.00 0.00 177.43 178.54 2vvq h GLY 74 N 0.31 0.80 1.16 2.83 0.00 -1.99 -1.77 103.07 104.41 2vvq h GLY 74 Ca 0.01 -0.25 -0.27 0.00 0.00 0.00 0.00 47.33 46.83 2vvq h GLY 74 CO 0.08 0.17 -1.11 0.83 0.00 0.00 0.00 176.54 176.51 2vvq h GLU 75 N 0.60 0.62 -0.39 4.80 3.07 -1.89 -1.70 114.58 119.70 2vvq h GLU 75 Ca 0.30 -0.77 -0.10 0.00 -0.50 0.00 0.00 59.36 58.29 2vvq h GLU 75 Cb 0.38 0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 2vvq h GLU 75 CO -0.10 1.34 -0.16 -0.56 -1.40 0.00 0.00 179.01 178.13 2vvq h GLN 76 N 0.25 0.71 -0.12 2.33 -0.00 -1.23 -1.66 115.11 115.39 2vvq h GLN 76 Ca -0.16 -0.25 -0.01 0.00 -0.00 0.00 0.00 58.65 58.23 2vvq h GLN 76 Cb 1.79 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 29.21 2vvq h GLN 76 CO 0.22 0.83 0.05 0.82 -0.00 0.00 0.00 178.83 180.75 2vvq h ILE 77 N 0.64 1.14 -0.24 1.86 2.04 -1.24 0.13 117.51 121.83 2vvq h ILE 77 Ca 0.10 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.56 2vvq h ILE 77 Cb 0.63 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 2vvq h ILE 77 CO 0.04 0.12 0.16 0.00 0.00 0.00 0.00 178.15 178.48 2vvq h ALA 78 N 0.91 0.31 -0.94 1.87 0.00 -1.31 -2.79 119.26 117.30 2vvq h ALA 78 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2vvq h ALA 78 Cb 0.15 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2vvq h ALA 78 CO -0.00 -0.22 0.60 0.00 0.00 0.00 0.00 179.25 179.63 2vvq h ALA 79 N 1.09 1.19 0.00 0.00 0.00 -1.02 -2.10 119.26 118.42 2vvq h ALA 79 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2vvq h ALA 79 Cb -0.03 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.38 2vvq h ALA 79 CO -0.02 0.61 0.00 -0.91 0.00 0.00 0.00 179.25 178.93 2vvq h ASN 80 N 1.28 0.00 1.25 0.00 2.35 -0.55 -2.44 115.58 117.47 2vvq h ASN 80 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 2vvq h ASN 80 Cb -0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.26 2vvq h ASN 80 CO -0.07 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 176.00 2vvq n LYS 81 N -2.77 0.25 -2.43 0.81 4.76 -0.79 -4.75 118.16 113.24 2vvq n LYS 81 Ca -0.01 0.29 -0.42 0.00 -2.87 0.00 0.00 58.31 55.30 2vvq n LYS 81 Cb 0.17 -1.84 -0.03 0.00 -1.84 0.00 0.00 35.03 31.50 2vvq n LYS 81 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2vvq s VAL 82 N -3.17 4.22 0.14 -0.18 1.01 -0.92 -4.97 120.40 116.53 2vvq s VAL 82 Ca 0.09 1.53 -0.35 0.00 0.00 0.00 0.00 61.98 63.25 2vvq s VAL 82 Cb 0.11 -3.99 -0.15 0.00 0.00 0.00 0.00 36.38 32.36 2vvq s VAL 82 CO 0.53 -0.04 1.41 -2.65 0.00 0.00 0.00 175.10 174.36 2vvq n PRO 83 N 5.58 1.62 -0.19 2.72 -0.02 -1.26 -1.54 135.00 141.90 2vvq n PRO 83 Ca 0.12 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2vvq n PRO 83 Cb 0.46 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2vvq n PRO 83 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vvq n GLY 84 N 2.73 2.37 3.80 -1.23 0.00 -1.26 -4.99 105.19 106.60 2vvq n GLY 84 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2vvq n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vvq s ALA 85 N -3.11 3.49 -0.25 4.61 0.00 -0.59 -4.98 121.76 120.94 2vvq s ALA 85 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.16 2vvq s ALA 85 Cb 0.00 -2.81 0.07 0.00 0.00 0.00 0.00 23.12 20.38 2vvq s ALA 85 CO 0.00 0.34 -0.01 1.03 0.00 0.00 0.00 175.76 177.12 2vvq s ARG 86 N -1.33 1.34 -0.28 0.00 0.52 -1.26 -4.76 118.95 113.18 2vvq s ARG 86 Ca 0.35 -1.01 -0.00 0.00 -0.52 0.00 0.00 55.73 54.55 2vvq s ARG 86 Cb -0.20 -2.49 0.05 0.00 0.52 0.00 0.00 34.95 32.82 2vvq s ARG 86 CO 0.23 -0.70 -0.05 0.00 0.02 0.00 0.00 175.30 174.80 2vvq s ALA 88 N 1.21 3.18 -0.32 0.00 0.00 -0.54 -4.85 121.76 120.44 2vvq s ALA 88 Ca -0.06 -0.13 -0.18 0.00 0.00 0.00 0.00 51.96 51.60 2vvq s ALA 88 Cb -0.19 -2.95 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 2vvq s ALA 88 CO -0.03 -0.46 0.50 -1.17 0.00 0.00 0.00 175.76 174.60 2vvq s LEU 89 N -4.72 4.25 -0.35 0.00 2.96 -1.26 -0.02 118.68 119.54 2vvq s LEU 89 Ca 0.54 0.12 -0.12 0.00 -0.22 0.00 0.00 54.13 54.45 2vvq s LEU 89 Cb -0.11 -2.58 -0.00 0.00 0.50 0.00 0.00 46.19 44.00 2vvq s LEU 89 CO 0.45 -0.41 0.22 0.00 -1.32 0.00 0.00 176.35 175.30 2vvq s ALA 90 N 2.34 3.41 -0.36 5.97 0.00 -0.10 -4.85 121.76 128.16 2vvq s ALA 90 Ca 0.19 -1.49 0.04 0.00 0.00 0.00 0.00 51.96 50.70 2vvq s ALA 90 Cb -0.16 -2.62 0.09 0.00 0.00 0.00 0.00 23.12 20.44 2vvq s ALA 90 CO 0.12 -1.09 1.00 -2.67 0.00 0.00 0.00 175.76 173.12 2vvq n TRP 91 N 5.07 0.13 -3.50 0.00 4.27 -1.26 -4.53 117.44 117.62 2vvq n TRP 91 Ca -0.13 -0.40 -0.10 0.00 -3.89 0.00 0.00 57.50 52.98 2vvq n TRP 91 Cb 0.49 -0.03 -0.02 0.00 -1.36 0.00 0.00 31.31 30.38 2vvq n TRP 91 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 2vvq s SER 92 N -0.87 -0.47 0.25 -0.67 1.04 -1.26 -5.00 113.70 106.72 2vvq s SER 92 Ca 0.08 -0.08 -0.04 0.00 0.48 0.00 0.00 55.95 56.39 2vvq s SER 92 Cb 0.04 0.55 0.41 0.00 0.10 0.00 0.00 66.02 67.12 2vvq s SER 92 CO 0.05 -0.91 1.82 0.58 0.98 0.00 0.00 173.24 175.76 2vvq h VAL 93 N 2.00 0.92 -0.31 5.02 2.07 -1.90 -1.54 116.25 122.52 2vvq h VAL 93 Ca -0.29 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2vvq h VAL 93 Cb 1.28 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2vvq h VAL 93 CO 0.34 0.15 0.16 -0.61 0.02 0.00 0.00 177.57 177.63 2vvq h GLN 94 N 0.83 0.43 -0.27 1.57 4.15 -1.97 -1.31 115.11 118.54 2vvq h GLN 94 Ca 0.41 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.65 2vvq h GLN 94 Cb 0.36 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 2vvq h GLN 94 CO -0.24 0.38 -0.33 1.79 -1.93 0.00 0.00 178.83 178.50 2vvq h THR 95 N 0.37 1.29 -0.72 2.39 1.35 -1.91 -0.02 112.91 115.65 2vvq h THR 95 Ca 0.11 -1.44 -0.00 0.00 -0.55 0.00 0.00 66.41 64.52 2vvq h THR 95 Cb 0.08 1.43 -0.03 0.00 -1.73 0.00 0.00 68.15 67.89 2vvq h THR 95 CO -0.02 0.46 0.44 0.00 -0.25 0.00 0.00 175.52 176.15 2vvq h ALA 96 N 1.15 0.92 -0.03 6.62 0.00 -1.12 -0.84 119.26 125.96 2vvq h ALA 96 Ca 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2vvq h ALA 96 Cb 0.81 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2vvq h ALA 96 CO 0.07 0.39 -0.03 0.00 0.00 0.00 0.00 179.25 179.68 2vvq h ALA 97 N 1.23 0.04 -0.53 0.00 0.00 -1.02 -3.14 119.26 115.84 2vvq h ALA 97 Ca 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2vvq h ALA 97 Cb -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2vvq h ALA 97 CO -0.05 -0.20 0.30 -0.07 0.00 0.00 0.00 179.25 179.23 2vvq h LEU 98 N -0.38 0.64 -0.92 0.00 3.38 -0.94 -0.41 115.31 116.68 2vvq h LEU 98 Ca 0.01 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.01 2vvq h LEU 98 Cb 0.50 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 2vvq h LEU 98 CO 0.01 0.51 0.58 0.00 0.09 0.00 0.00 178.44 179.62 2vvq h ALA 99 N 1.60 1.28 0.02 1.53 0.00 -1.11 0.67 119.26 123.25 2vvq h ALA 99 Ca 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2vvq h ALA 99 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2vvq h ALA 99 CO -0.03 0.31 -0.01 0.00 0.00 0.00 0.00 179.25 179.52 2vvq h ARG 100 N 1.03 -0.03 -0.01 0.00 2.47 -1.39 -0.49 114.38 115.96 2vvq h ARG 100 Ca 0.41 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 59.15 2vvq h ARG 100 Cb 0.22 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 2vvq h ARG 100 CO -0.19 0.71 -0.08 0.93 0.56 0.00 0.00 179.97 181.90 2vvq h GLU 101 N -0.84 -0.12 0.01 0.04 5.08 -0.93 -2.84 114.58 114.98 2vvq h GLU 101 Ca -0.00 0.01 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 2vvq h GLU 101 Cb 0.75 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 2vvq h GLU 101 CO 0.00 -0.08 -1.72 0.72 -1.00 0.00 0.00 179.01 176.93 2vvq n HIS 102 N -5.20 0.72 1.16 4.33 8.25 0.21 -2.70 115.22 121.99 2vvq n HIS 102 Ca -0.06 0.29 0.12 0.00 -0.26 0.00 0.00 57.72 57.82 2vvq n HIS 102 Cb 0.13 -1.07 0.23 0.00 1.12 0.00 0.00 29.99 30.39 2vvq n HIS 102 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2vvq n ASN 103 N -4.28 1.53 -4.31 0.41 5.03 -1.08 -4.76 115.26 107.81 2vvq n ASN 103 Ca -0.39 -1.22 -0.36 0.00 0.87 0.00 0.00 54.58 53.48 2vvq n ASN 103 Cb 0.78 0.26 -0.05 0.00 -1.02 0.00 0.00 39.78 39.74 2vvq n ASN 103 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2vvq n ASN 104 N -0.27 -1.92 -4.69 6.41 5.15 -0.84 -4.86 115.26 114.25 2vvq n ASN 104 Ca 0.12 -1.12 -0.42 0.00 -0.60 0.00 0.00 54.58 52.55 2vvq n ASN 104 Cb 0.41 -2.28 -0.03 0.00 -0.53 0.00 0.00 39.78 37.35 2vvq n ASN 104 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2vvq s ALA 105 N -3.51 3.61 -0.53 5.20 0.00 -0.25 -4.87 121.76 121.41 2vvq s ALA 105 Ca 0.58 0.95 0.24 0.00 0.00 0.00 0.00 51.96 53.74 2vvq s ALA 105 Cb -0.33 -3.62 0.48 0.00 0.00 0.00 0.00 23.12 19.65 2vvq s ALA 105 CO 0.96 -0.97 1.65 1.96 0.00 0.00 0.00 175.76 179.36 2vvq h GLN 106 N 7.99 0.00 -5.20 0.00 7.50 -1.79 -3.42 115.11 120.19 2vvq h GLN 106 Ca -0.39 0.00 -0.40 0.00 0.50 0.00 0.00 58.65 58.36 2vvq h GLN 106 Cb 1.18 0.00 -0.23 0.00 0.05 0.00 0.00 27.48 28.49 2vvq h GLN 106 CO 0.91 0.00 -0.78 -0.51 -1.50 0.00 0.00 178.83 176.96 2vvq s LEU 107 N -5.69 2.24 0.08 1.46 1.02 -1.09 -0.08 118.68 116.61 2vvq s LEU 107 Ca 0.08 -0.55 0.07 0.00 0.02 0.00 0.00 54.13 53.75 2vvq s LEU 107 Cb 0.07 -0.48 -0.03 0.00 0.02 0.00 0.00 46.19 45.77 2vvq s LEU 107 CO 0.65 -0.06 -0.19 0.27 0.02 0.00 0.00 176.35 177.04 2vvq s ILE 108 N -1.14 1.55 -0.04 -0.59 -4.36 -0.99 -1.47 121.20 114.17 2vvq s ILE 108 Ca -0.02 -1.38 -0.12 0.00 -0.26 0.00 0.00 60.65 58.87 2vvq s ILE 108 Cb -0.09 -1.40 -0.05 0.00 1.25 0.00 0.00 42.46 42.16 2vvq s ILE 108 CO 0.02 -0.03 0.31 -0.83 0.24 0.00 0.00 174.94 174.65 2vvq s GLY 109 N -1.66 2.36 -0.04 6.27 0.00 0.97 -0.93 107.32 114.29 2vvq s GLY 109 Ca 0.05 -0.38 0.04 0.00 0.00 0.00 0.00 44.72 44.42 2vvq s GLY 109 CO 0.03 -0.06 -0.15 -0.42 0.00 0.00 0.00 173.10 172.51 2vvq s ILE 110 N -1.08 1.23 -0.42 0.90 1.01 -0.41 -0.92 121.20 121.51 2vvq s ILE 110 Ca 0.21 -0.60 -0.27 0.00 0.00 0.00 0.00 60.65 59.99 2vvq s ILE 110 Cb -0.15 -1.07 0.02 0.00 0.01 0.00 0.00 42.46 41.27 2vvq s ILE 110 CO 0.10 0.36 0.98 -0.83 0.00 0.00 0.00 174.94 175.56 2vvq s GLY 111 N 0.15 1.47 0.58 6.18 0.00 -1.00 -2.79 107.32 111.92 2vvq s GLY 111 Ca -0.05 -0.55 0.27 0.00 0.00 0.00 0.00 44.72 44.39 2vvq s GLY 111 CO 0.02 2.13 2.17 -1.33 0.00 0.00 0.00 173.10 176.08 2vvq h GLY 112 N 10.50 0.00 0.06 0.20 0.00 0.10 -2.49 103.07 111.45 2vvq h GLY 112 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2vvq h GLY 112 CO 1.03 0.00 0.00 0.54 0.00 0.00 0.00 176.54 178.11 2vvq n ARG 113 N -3.97 1.42 -0.00 4.80 1.74 -0.34 -4.40 116.66 115.91 2vvq n ARG 113 Ca -0.01 -0.61 0.07 0.00 -0.77 0.00 0.00 57.85 56.52 2vvq n ARG 113 Cb 0.20 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.07 2vvq n ARG 113 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2vvq n MET 114 N -0.25 1.62 -4.03 5.56 2.81 -0.94 -5.02 117.12 116.88 2vvq n MET 114 Ca 0.21 -0.06 -0.08 0.00 -1.81 0.00 0.00 57.70 55.96 2vvq n MET 114 Cb 0.27 -1.22 -0.11 0.00 -0.71 0.00 0.00 33.22 31.45 2vvq n MET 114 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 2vvq s HIS 115 N -2.57 0.38 0.92 2.03 3.76 -1.25 -5.10 115.29 113.46 2vvq s HIS 115 Ca 0.01 -0.74 -0.11 0.00 -0.15 0.00 0.00 55.06 54.06 2vvq s HIS 115 Cb 0.09 -0.28 0.15 0.00 1.11 0.00 0.00 32.58 33.65 2vvq s HIS 115 CO 0.56 -0.26 1.09 0.95 -0.85 0.00 0.00 174.74 176.23 2vvq s THR 116 N -2.44 2.55 0.16 1.30 -4.23 -1.26 -4.84 115.64 106.88 2vvq s THR 116 Ca -0.07 0.18 -0.12 0.00 -1.18 0.00 0.00 61.69 60.50 2vvq s THR 116 Cb -0.03 -2.55 0.05 0.00 1.34 0.00 0.00 72.50 71.31 2vvq s THR 116 CO -0.04 -0.23 1.67 0.58 -0.54 0.00 0.00 174.62 176.06 2vvq h VAL 117 N -1.70 1.25 -0.74 2.29 2.07 -1.99 -1.52 116.25 115.91 2vvq h VAL 117 Ca -0.50 -0.88 0.05 0.00 0.82 0.00 0.00 66.70 66.20 2vvq h VAL 117 Cb 1.28 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 2vvq h VAL 117 CO 0.52 0.32 0.44 0.00 0.02 0.00 0.00 177.57 178.88 2vvq h ALA 118 N 1.02 0.99 -0.32 1.67 0.00 -1.99 -0.33 119.26 120.30 2vvq h ALA 118 Ca 0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2vvq h ALA 118 Cb 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2vvq h ALA 118 CO 0.00 0.16 0.17 0.93 0.00 0.00 0.00 179.25 180.51 2vvq h GLU 119 N 0.82 0.45 -0.48 0.00 5.08 -1.88 -1.40 114.58 117.17 2vvq h GLU 119 Ca 0.32 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 2vvq h GLU 119 Cb 0.14 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2vvq h GLU 119 CO -0.16 0.39 0.28 0.00 -1.00 0.00 0.00 179.01 178.52 2vvq h ALA 120 N 1.04 0.62 -0.49 3.43 0.00 -0.87 -2.38 119.26 120.61 2vvq h ALA 120 Ca 0.11 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2vvq h ALA 120 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2vvq h ALA 120 CO -0.02 0.12 0.01 -0.07 0.00 0.00 0.00 179.25 179.30 2vvq h LEU 121 N 0.64 0.78 -0.62 0.00 3.38 -0.93 -0.19 115.31 118.37 2vvq h LEU 121 Ca 0.17 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.03 2vvq h LEU 121 Cb 0.02 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.51 2vvq h LEU 121 CO -0.03 0.84 0.30 0.00 0.09 0.00 0.00 178.44 179.63 2vvq h ALA 122 N 1.25 0.82 0.03 1.53 0.00 -1.08 0.85 119.26 122.66 2vvq h ALA 122 Ca 0.15 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2vvq h ALA 122 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2vvq h ALA 122 CO 0.02 -0.08 -0.01 0.82 0.00 0.00 0.00 179.25 180.00 2vvq h ILE 123 N 0.54 1.06 -0.32 0.00 2.04 -0.87 -1.05 117.51 118.90 2vvq h ILE 123 Ca 0.30 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.96 2vvq h ILE 123 Cb 0.28 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 2vvq h ILE 123 CO -0.23 0.06 0.03 0.58 0.00 0.00 0.00 178.15 178.59 2vvq h VAL 124 N -0.14 0.81 -0.55 1.67 2.07 -0.74 -1.03 116.25 118.34 2vvq h VAL 124 Ca -0.00 -0.05 0.08 0.00 0.82 0.00 0.00 66.70 67.55 2vvq h VAL 124 Cb 0.13 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.49 2vvq h VAL 124 CO 0.01 0.02 0.18 0.44 0.02 0.00 0.00 177.57 178.24 2vvq h ASP 125 N 0.14 0.15 -0.75 0.57 3.32 -0.64 -0.07 116.42 119.13 2vvq h ASP 125 Ca 0.15 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 2vvq h ASP 125 Cb 0.18 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 2vvq h ASP 125 CO -0.22 0.10 0.31 0.00 -1.72 0.00 0.00 179.24 177.71 2vvq h ALA 126 N 1.39 0.97 -0.24 3.45 0.00 -0.70 -1.59 119.26 122.53 2vvq h ALA 126 Ca 0.27 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2vvq h ALA 126 Cb 0.34 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2vvq h ALA 126 CO -0.30 0.59 -0.10 0.35 0.00 0.00 0.00 179.25 179.79 2vvq h PHE 127 N 1.08 0.57 0.00 0.00 3.57 -0.43 -1.10 116.94 120.63 2vvq h PHE 127 Ca 0.25 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2vvq h PHE 127 Cb 0.20 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2vvq h PHE 127 CO 0.02 0.75 0.00 -0.39 -2.23 0.00 0.00 178.31 176.46 2vvq h VAL 128 N 0.22 0.00 0.00 1.41 -1.51 -0.95 -3.33 116.25 112.09 2vvq h VAL 128 Ca 0.06 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 2vvq h VAL 128 Cb 0.60 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 2vvq h VAL 128 CO 0.03 0.00 -1.81 0.35 -1.23 0.00 0.00 177.57 174.92 2vvq n THR 129 N -2.59 0.00 -2.65 7.19 -2.24 -0.61 -4.91 114.28 108.47 2vvq n THR 129 Ca 0.05 -0.41 -0.43 0.00 -2.27 0.00 0.00 64.05 60.99 2vvq n THR 129 Cb 0.46 0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.77 2vvq n THR 129 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2vvq s THR 130 N -3.25 4.68 0.52 4.28 2.01 -0.42 -5.02 115.64 118.43 2vvq s THR 130 Ca -0.06 1.99 -0.20 0.00 0.31 0.00 0.00 61.69 63.73 2vvq s THR 130 Cb 0.12 -4.29 -0.07 0.00 0.01 0.00 0.00 72.50 68.27 2vvq s THR 130 CO 0.76 -0.11 1.08 -2.84 -0.69 0.00 0.00 174.62 172.82 2vvq s PRO 131 N 2.80 3.58 0.05 4.92 0.02 -1.26 -4.74 135.00 140.36 2vvq s PRO 131 Ca 0.46 1.48 -0.30 0.00 0.02 0.00 0.00 61.00 62.66 2vvq s PRO 131 Cb -0.17 -2.05 -0.09 0.00 0.02 0.00 0.00 34.50 32.21 2vvq s PRO 131 CO 0.11 -0.64 1.95 -0.46 -0.33 0.00 0.00 177.00 177.63 2vvq s TRP 132 N -1.89 1.40 0.38 6.54 -0.00 -1.26 -3.60 118.94 120.52 2vvq s TRP 132 Ca 0.70 -0.40 0.05 0.00 -0.00 0.00 0.00 56.10 56.45 2vvq s TRP 132 Cb -0.20 -4.24 0.76 0.00 -0.00 0.00 0.00 33.47 29.79 2vvq s TRP 132 CO 0.24 -5.49 2.01 0.66 -0.00 0.00 0.00 176.95 174.36 2vvq h SER 133 N 10.31 0.53 -0.44 5.86 4.64 -1.67 -3.47 113.55 129.31 2vvq h SER 133 Ca -0.49 -0.03 -0.19 0.00 -0.47 0.00 0.00 61.79 60.61 2vvq h SER 133 Cb 1.23 -0.13 -0.07 0.00 -0.31 0.00 0.00 62.40 63.12 2vvq h SER 133 CO 0.94 0.43 -0.17 0.29 -0.87 0.00 0.00 176.83 177.45 2vvq n LYS 134 N -4.42 -1.20 -1.96 4.77 5.02 -1.26 -4.99 118.16 114.13 2vvq n LYS 134 Ca 0.03 0.77 -0.41 0.00 -2.02 0.00 0.00 58.31 56.68 2vvq n LYS 134 Cb 0.10 -4.88 -0.01 0.00 -0.02 0.00 0.00 35.03 30.21 2vvq n LYS 134 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2vvq s ALA 135 N -2.06 3.55 0.26 7.82 0.00 -1.26 -4.83 121.76 125.24 2vvq s ALA 135 Ca 0.00 1.42 -0.03 0.00 0.00 0.00 0.00 51.96 53.35 2vvq s ALA 135 Cb 0.00 -3.55 0.54 0.00 0.00 0.00 0.00 23.12 20.11 2vvq s ALA 135 CO 0.00 -0.85 1.68 0.37 0.00 0.00 0.00 175.76 176.96 2vvq h GLN 136 N 3.42 0.26 -0.25 0.00 4.15 -2.00 -1.89 115.11 118.80 2vvq h GLN 136 Ca -0.49 -0.02 -0.15 0.00 0.77 0.00 0.00 58.65 58.76 2vvq h GLN 136 Cb 1.23 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 2vvq h GLN 136 CO 0.67 0.17 -0.45 0.07 -1.93 0.00 0.00 178.83 177.36 2vvq h ARG 137 N 0.26 0.64 -0.23 1.69 0.11 -1.99 -0.95 114.38 113.91 2vvq h ARG 137 Ca 0.46 -0.35 -0.03 0.00 0.10 0.00 0.00 59.98 60.16 2vvq h ARG 137 Cb 0.82 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.91 2vvq h ARG 137 CO -0.55 0.96 0.02 0.45 0.10 0.00 0.00 179.97 180.95 2vvq h HIS 138 N 0.52 0.42 -0.75 4.08 3.86 -1.75 -1.67 115.15 119.87 2vvq h HIS 138 Ca 0.03 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 2vvq h HIS 138 Cb 0.98 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 29.30 2vvq h HIS 138 CO 0.04 0.54 0.45 0.37 0.86 0.00 0.00 177.93 180.19 2vvq h GLN 139 N 0.18 1.02 -0.62 2.45 5.75 -1.22 -0.58 115.11 122.09 2vvq h GLN 139 Ca 0.07 -0.10 0.06 0.00 -0.15 0.00 0.00 58.65 58.53 2vvq h GLN 139 Cb 0.36 -0.21 -0.05 0.00 1.07 0.00 0.00 27.48 28.65 2vvq h GLN 139 CO 0.01 0.72 0.33 -0.09 -2.65 0.00 0.00 178.83 177.15 2vvq h ARG 140 N 1.02 0.60 -0.18 1.69 2.43 -1.03 0.11 114.38 119.02 2vvq h ARG 140 Ca 0.27 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.35 2vvq h ARG 140 Cb -0.03 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 2vvq h ARG 140 CO -0.05 0.40 -0.08 0.00 -1.51 0.00 0.00 179.97 178.72 2vvq h ARG 141 N 0.62 0.37 -0.89 0.20 3.08 -0.99 -1.76 114.38 115.00 2vvq h ARG 141 Ca 0.28 -0.16 0.10 0.00 0.07 0.00 0.00 59.98 60.26 2vvq h ARG 141 Cb 0.18 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.14 2vvq h ARG 141 CO -0.18 0.67 0.54 0.82 -1.07 0.00 0.00 179.97 180.75 2vvq h ILE 142 N 0.05 0.94 -0.38 2.04 2.04 -0.90 -2.05 117.51 119.25 2vvq h ILE 142 Ca 0.04 -0.31 -0.11 0.00 1.00 0.00 0.00 64.86 65.48 2vvq h ILE 142 Cb 0.56 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2vvq h ILE 142 CO 0.03 0.16 -0.23 0.44 0.00 0.00 0.00 178.15 178.55 2vvq h ASP 143 N 0.89 0.77 -0.46 1.72 3.32 -0.58 -0.99 116.42 121.10 2vvq h ASP 143 Ca 0.43 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2vvq h ASP 143 Cb 0.37 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2vvq h ASP 143 CO -0.24 0.97 0.23 0.40 -1.72 0.00 0.00 179.24 178.88 2vvq h ILE 144 N 0.66 1.18 -0.58 0.35 2.04 -0.93 -1.26 117.51 118.97 2vvq h ILE 144 Ca 0.09 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 2vvq h ILE 144 Cb 0.73 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 2vvq h ILE 144 CO 0.06 0.19 0.20 0.25 0.00 0.00 0.00 178.15 178.85 2vvq h LEU 145 N 0.60 0.83 -0.97 1.44 5.85 -1.11 -1.69 115.31 120.26 2vvq h LEU 145 Ca 0.16 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2vvq h LEU 145 Cb 0.10 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2vvq h LEU 145 CO -0.02 0.80 0.50 0.00 -0.34 0.00 0.00 178.44 179.38 2vvq h ALA 146 N 1.06 1.22 -0.62 1.25 0.00 -0.93 -1.03 119.26 120.21 2vvq h ALA 146 Ca 0.19 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2vvq h ALA 146 Cb 0.25 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2vvq h ALA 146 CO -0.01 0.64 0.18 1.49 0.00 0.00 0.00 179.25 181.56 2vvq h GLU 147 N 1.23 0.98 -0.62 0.00 4.57 -0.95 -1.67 114.58 118.12 2vvq h GLU 147 Ca 0.31 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 2vvq h GLU 147 Cb -0.00 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 2vvq h GLU 147 CO -0.05 0.87 0.29 -0.92 -1.18 0.00 0.00 179.01 178.02 2vvq h TYR 148 N 0.90 0.89 -1.00 0.92 5.03 -0.75 -2.55 116.97 120.41 2vvq h TYR 148 Ca 0.20 -0.05 0.08 0.00 2.58 0.00 0.00 58.73 61.54 2vvq h TYR 148 Cb 0.31 -0.28 -0.07 0.00 1.55 0.00 0.00 36.73 38.24 2vvq h TYR 148 CO 0.02 0.68 0.64 0.93 -1.32 0.00 0.00 178.16 179.12 2vvq h GLU 149 N 0.85 1.10 -0.47 1.82 5.08 -0.85 0.87 114.58 122.99 2vvq h GLU 149 Ca 0.21 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 2vvq h GLU 149 Cb 0.13 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2vvq h GLU 149 CO -0.03 0.73 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.58 2vvq h ARG 150 N 1.13 0.85 0.00 2.33 2.43 -1.04 -3.37 114.38 116.71 2vvq h ARG 150 Ca 0.45 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2vvq h ARG 150 Cb 0.25 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2vvq h ARG 150 CO -0.19 0.91 -0.99 0.25 -1.51 0.00 0.00 179.97 178.44 2vvq n THR 151 N -4.32 0.00 -2.71 0.20 -2.24 -0.98 -5.00 114.28 99.22 2vvq n THR 151 Ca 0.00 -0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 61.46 2vvq n THR 151 Cb 0.33 0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 69.11 2vvq n THR 151 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2vvq n HIS 152 N -1.54 -1.66 -3.39 4.78 8.25 0.30 -4.95 115.22 117.02 2vvq n HIS 152 Ca -0.00 0.11 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 2vvq n HIS 152 Cb 0.14 -2.22 -0.09 0.00 1.12 0.00 0.00 29.99 28.93 2vvq n HIS 152 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2vvq s GLU 153 N -5.29 3.34 0.13 -0.41 2.02 -1.26 -5.04 118.70 112.18 2vvq s GLU 153 Ca 0.11 -0.61 -0.31 0.00 0.02 0.00 0.00 54.97 54.17 2vvq s GLU 153 Cb -0.06 -3.88 -0.11 0.00 0.10 0.00 0.00 34.13 30.18 2vvq s GLU 153 CO 0.13 -0.66 1.82 0.00 0.02 0.00 0.00 175.26 176.58 2vvq n ALA 154 N 5.42 2.19 -1.42 5.21 0.00 -1.26 -4.71 120.51 125.94 2vvq n ALA 154 Ca -0.09 0.32 -0.33 0.00 0.00 0.00 0.00 53.44 53.34 2vvq n ALA 154 Cb 0.48 -2.58 0.07 0.00 0.00 0.00 0.00 19.45 17.42 2vvq n ALA 154 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2vvq s PRO 155 N 2.58 2.51 0.53 0.00 0.04 -1.26 -4.98 135.00 134.42 2vvq s PRO 155 Ca 0.82 1.50 -0.21 0.00 0.04 0.00 0.00 61.00 63.15 2vvq s PRO 155 Cb -0.49 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.09 2vvq s PRO 155 CO 0.37 -1.49 1.19 -1.25 0.04 0.00 0.00 177.00 175.86 2vvq s PRO 156 N -4.09 3.35 -0.20 0.56 0.04 -1.26 -5.01 135.00 128.39 2vvq s PRO 156 Ca 0.69 1.80 -0.13 0.00 0.04 0.00 0.00 61.00 63.40 2vvq s PRO 156 Cb -0.23 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 2vvq s PRO 156 CO 0.44 -0.90 0.25 0.08 0.04 0.00 0.00 177.00 176.91 2vvq s VAL 157 N -1.59 5.32 0.17 -0.36 1.01 -1.26 -5.07 120.40 118.62 2vvq s VAL 157 Ca 0.71 0.41 -0.31 0.00 0.00 0.00 0.00 61.98 62.79 2vvq s VAL 157 Cb -0.29 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 2vvq s VAL 157 CO 0.34 0.36 1.44 -2.84 0.00 0.00 0.00 175.10 174.39 2vvq s PRO 158 N 0.79 4.29 0.00 2.72 0.02 -1.26 -5.34 135.00 136.21 2vvq s PRO 158 Ca 0.13 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.35 2vvq s PRO 158 Cb -0.13 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.21 2vvq s PRO 158 CO 0.04 -0.45 0.00 0.41 -0.33 0.00 0.00 177.00 176.66