#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 0.92 0.01 1.61 0.00 -1.26 -4.48 119.30 116.10 2vvq s MET 4 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 55.69 54.95 2vvq s MET 4 Cb 0.00 0.36 -0.03 0.00 0.00 0.00 0.00 34.83 35.15 2vvq s MET 4 CO 0.00 -0.41 0.96 1.03 0.00 0.00 0.00 175.02 176.60 2vvq s ARG 5 N -3.09 4.56 -0.15 3.16 0.52 -1.26 -0.23 118.95 122.46 2vvq s ARG 5 Ca 0.09 1.39 -0.00 0.00 -0.52 0.00 0.00 55.73 56.69 2vvq s ARG 5 Cb -0.01 -3.45 0.03 0.00 0.52 0.00 0.00 34.95 32.04 2vvq s ARG 5 CO -0.03 -0.02 -0.09 0.08 0.02 0.00 0.00 175.30 175.26 2vvq s VAL 6 N 0.90 1.28 -0.14 3.52 1.01 -0.60 -1.73 120.40 124.63 2vvq s VAL 6 Ca 0.51 -0.59 -0.23 0.00 0.00 0.00 0.00 61.98 61.67 2vvq s VAL 6 Cb -0.21 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 2vvq s VAL 6 CO 0.28 0.28 0.71 -0.31 0.00 0.00 0.00 175.10 176.06 2vvq s TYR 7 N 1.59 3.46 -0.09 5.22 1.51 0.09 0.27 117.35 129.40 2vvq s TYR 7 Ca 0.03 1.14 0.02 0.00 -1.01 0.00 0.00 57.07 57.24 2vvq s TYR 7 Cb -0.14 -2.86 -0.02 0.00 -0.11 0.00 0.00 41.96 38.83 2vvq s TYR 7 CO -0.09 -0.10 -0.15 -0.51 -1.11 0.00 0.00 175.55 173.60 2vvq s LEU 8 N 1.57 2.67 -0.00 -1.29 1.02 0.10 -0.22 118.68 122.53 2vvq s LEU 8 Ca 0.35 -0.28 0.02 0.00 0.02 0.00 0.00 54.13 54.24 2vvq s LEU 8 Cb -0.17 -1.57 -0.01 0.00 0.02 0.00 0.00 46.19 44.47 2vvq s LEU 8 CO 0.14 0.25 -0.08 -0.83 0.02 0.00 0.00 176.35 175.85 2vvq s GLY 9 N -0.18 0.39 0.01 -3.19 0.00 -0.82 0.72 107.32 104.25 2vvq s GLY 9 Ca -0.00 -0.36 -0.20 0.00 0.00 0.00 0.00 44.72 44.15 2vvq s GLY 9 CO 0.03 -0.32 0.45 0.00 0.00 0.00 0.00 173.10 173.27 2vvq s ALA 10 N -0.26 -1.14 0.68 3.20 0.00 0.08 -0.62 121.76 123.71 2vvq s ALA 10 Ca 0.02 0.56 -0.02 0.00 0.00 0.00 0.00 51.96 52.52 2vvq s ALA 10 Cb -0.03 0.20 0.08 0.00 0.00 0.00 0.00 23.12 23.36 2vvq s ALA 10 CO -0.00 -0.38 0.54 -0.40 0.00 0.00 0.00 175.76 175.51 2vvq n ASP 11 N 0.81 0.50 0.09 0.00 5.68 -0.97 -0.64 116.55 122.02 2vvq n ASP 11 Ca -0.20 -1.48 0.10 0.00 -0.50 0.00 0.00 54.79 52.72 2vvq n ASP 11 Cb 0.58 -0.37 0.57 0.00 -1.14 0.00 0.00 41.12 40.76 2vvq n ASP 11 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 2vvq h HIS 12 N -0.73 0.21 0.00 2.11 2.07 -1.83 -1.03 115.15 115.95 2vvq h HIS 12 Ca -0.18 0.01 -0.06 0.00 -2.85 0.00 0.00 60.37 57.29 2vvq h HIS 12 Cb 0.60 -0.07 -0.01 0.00 2.57 0.00 0.00 27.41 30.50 2vvq h HIS 12 CO 0.00 0.12 -0.26 0.00 -3.07 0.00 0.00 177.93 174.71 2vvq h ALA 13 N 1.84 1.01 -0.19 6.11 0.00 -1.90 -3.05 119.26 123.08 2vvq h ALA 13 Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2vvq h ALA 13 Cb 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2vvq h ALA 13 CO -0.02 0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.97 2vvq n GLY 14 N 0.19 1.42 0.19 0.00 0.00 -0.86 -4.33 105.19 101.80 2vvq n GLY 14 Ca 0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 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 1.89 -0.37 -0.61 1.61 3.20 -1.10 0.67 116.97 122.27 2vvq h TYR 15 Ca 0.00 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 2vvq h TYR 15 Cb 0.59 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 2vvq h TYR 15 CO 0.12 -0.23 0.06 0.93 -1.64 0.00 0.00 178.16 177.40 2vvq h GLU 16 N -0.35 1.03 -0.53 1.82 4.39 -1.87 -1.59 114.58 117.47 2vvq h GLU 16 Ca -0.02 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.35 2vvq h GLU 16 Cb 0.30 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 2vvq h GLU 16 CO 0.01 0.99 0.21 1.25 -1.16 0.00 0.00 179.01 180.31 2vvq h LEU 17 N 0.93 0.74 -0.54 1.33 5.85 -1.87 -2.52 115.31 119.23 2vvq h LEU 17 Ca 0.18 -0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.82 2vvq h LEU 17 Cb 0.49 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 2vvq h LEU 17 CO 0.02 0.71 0.13 0.50 -0.34 0.00 0.00 178.44 179.46 2vvq h LYS 18 N 0.72 0.27 -0.39 1.25 3.64 -0.51 0.56 116.57 122.12 2vvq h LYS 18 Ca 0.18 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 2vvq h LYS 18 Cb 0.20 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2vvq h LYS 18 CO -0.01 0.18 0.01 1.96 -2.27 0.00 0.00 179.45 179.31 2vvq h GLN 19 N 0.28 0.62 -0.50 1.90 1.08 -1.12 -0.40 115.11 116.97 2vvq h GLN 19 Ca 0.27 -0.14 -0.11 0.00 -1.45 0.00 0.00 58.65 57.22 2vvq h GLN 19 Cb 0.36 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 2vvq h GLN 19 CO -0.33 0.63 -0.12 -0.09 -0.95 0.00 0.00 178.83 177.97 2vvq h ARG 20 N 0.59 0.96 -0.55 1.46 9.65 -0.94 -2.45 114.38 123.10 2vvq h ARG 20 Ca 0.12 -0.37 -0.09 0.00 -1.10 0.00 0.00 59.98 58.54 2vvq h ARG 20 Cb 0.36 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 2vvq h ARG 20 CO 0.01 1.04 -0.00 0.82 2.80 0.00 0.00 179.97 184.64 2vvq h ILE 21 N 0.82 1.26 -0.32 1.20 2.04 -0.41 -1.42 117.51 120.69 2vvq h ILE 21 Ca 0.13 -1.12 0.03 0.00 1.00 0.00 0.00 64.86 64.89 2vvq h ILE 21 Cb 0.68 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 2vvq h ILE 21 CO 0.05 0.40 0.13 0.40 0.00 0.00 0.00 178.15 179.14 2vvq h ILE 22 N 0.86 0.95 -0.36 -0.67 2.04 -0.97 0.74 117.51 120.11 2vvq h ILE 22 Ca 0.16 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 2vvq h ILE 22 Cb 0.55 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 2vvq h ILE 22 CO 0.03 0.05 0.21 -0.08 0.00 0.00 0.00 178.15 178.36 2vvq h GLU 23 N 0.29 0.49 -0.84 2.37 4.57 -1.33 -1.00 114.58 119.12 2vvq h GLU 23 Ca 0.14 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.30 2vvq h GLU 23 Cb 0.08 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.52 2vvq h GLU 23 CO -0.12 0.38 0.54 1.25 -1.18 0.00 0.00 179.01 179.88 2vvq h HIS 24 N 0.46 1.02 -0.29 0.92 2.76 -0.91 -1.93 115.15 117.18 2vvq h HIS 24 Ca 0.13 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.19 2vvq h HIS 24 Cb 0.02 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.63 2vvq h HIS 24 CO -0.03 0.59 -0.35 -0.07 -1.30 0.00 0.00 177.93 176.77 2vvq h LEU 25 N 1.06 0.67 0.19 0.26 3.38 -0.54 -0.98 115.31 119.35 2vvq h LEU 25 Ca 0.33 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2vvq h LEU 25 Cb -0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2vvq h LEU 25 CO -0.11 0.96 -0.15 0.11 0.09 0.00 0.00 178.44 179.34 2vvq h LYS 26 N 0.54 -0.33 -0.14 1.13 1.57 -0.92 0.63 116.57 119.05 2vvq h LYS 26 Ca 0.06 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 2vvq h LYS 26 Cb 0.85 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 2vvq h LYS 26 CO 0.07 -0.22 0.10 1.96 -0.57 0.00 0.00 179.45 180.79 2vvq h GLN 27 N -0.35 0.00 -0.57 3.15 4.20 -1.20 -1.49 115.11 118.86 2vvq h GLN 27 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2vvq h GLN 27 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2vvq h GLN 27 CO -0.01 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.40 2vvq n THR 28 N -4.46 1.03 -0.67 -0.54 -2.24 -0.39 -4.94 114.28 102.08 2vvq n THR 28 Ca 0.00 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2vvq n THR 28 Cb 0.23 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 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 1.08 0.60 3.93 3.38 0.00 -0.56 -5.03 105.19 108.59 2vvq n GLY 29 Ca 0.18 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.00 2.78 -0.68 1.61 3.76 0.18 -4.16 115.29 116.79 2vvq s HIS 30 Ca 0.00 -0.43 -0.02 0.00 -0.15 0.00 0.00 55.06 54.46 2vvq s HIS 30 Cb 0.00 -2.22 0.17 0.00 1.11 0.00 0.00 32.58 31.65 2vvq s HIS 30 CO 0.00 -0.21 0.50 -2.00 -0.85 0.00 0.00 174.74 172.18 2vvq s GLU 31 N -4.21 2.67 0.25 1.40 2.12 0.68 -4.14 118.70 117.47 2vvq s GLU 31 Ca 0.50 -2.72 -0.30 0.00 0.36 0.00 0.00 54.97 52.81 2vvq s GLU 31 Cb -0.06 -3.74 -0.09 0.00 0.26 0.00 0.00 34.13 30.50 2vvq s GLU 31 CO 0.30 -1.19 1.18 -1.25 -0.54 0.00 0.00 175.26 173.76 2vvq s PRO 32 N -0.39 4.52 -0.20 4.30 0.04 -1.26 -1.56 135.00 140.45 2vvq s PRO 32 Ca 0.19 1.91 0.01 0.00 0.04 0.00 0.00 61.00 63.16 2vvq s PRO 32 Cb -0.17 -3.19 0.04 0.00 0.04 0.00 0.00 34.50 31.21 2vvq s PRO 32 CO -0.05 0.00 -0.15 0.42 0.04 0.00 0.00 177.00 177.26 2vvq s ILE 33 N -0.64 1.91 -0.41 0.56 1.01 0.14 -4.89 121.20 118.87 2vvq s ILE 33 Ca 0.49 -1.07 -0.24 0.00 0.00 0.00 0.00 60.65 59.83 2vvq s ILE 33 Cb -0.34 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.29 2vvq s ILE 33 CO 0.41 0.31 0.81 -0.62 0.00 0.00 0.00 174.94 175.85 2vvq s ASP 34 N 1.30 6.49 0.00 3.58 3.68 -1.26 -0.72 116.67 129.74 2vvq s ASP 34 Ca 0.00 0.15 0.28 0.00 2.13 0.00 0.00 52.55 55.11 2vvq s ASP 34 Cb -0.15 -2.40 1.14 0.00 -1.45 0.00 0.00 42.92 40.05 2vvq s ASP 34 CO -0.10 -0.86 1.81 0.00 0.13 0.00 0.00 175.17 176.15 2vvq n GLY 36 N 1.33 2.02 3.75 0.00 0.00 -1.25 -4.87 105.19 106.18 2vvq n GLY 36 Ca 0.13 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.40 3.59 -0.51 4.61 0.00 0.19 -0.74 121.76 126.50 2vvq s ALA 37 Ca 0.00 1.34 0.24 0.00 0.00 0.00 0.00 51.96 53.53 2vvq s ALA 37 Cb 0.00 -3.54 0.44 0.00 0.00 0.00 0.00 23.12 20.02 2vvq s ALA 37 CO 0.00 -0.75 1.62 -0.07 0.00 0.00 0.00 175.76 176.56 2vvq h LEU 38 N 4.45 0.00 -8.42 0.00 3.38 -1.91 -3.46 115.31 109.35 2vvq h LEU 38 Ca -0.47 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.31 2vvq h LEU 38 Cb 1.22 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.82 2vvq h LEU 38 CO 0.74 0.00 -0.67 -0.60 0.09 0.00 0.00 178.44 178.00 2vvq s ARG 39 N -3.19 0.86 -0.16 1.13 3.52 -1.26 -5.12 118.95 114.73 2vvq s ARG 39 Ca 0.08 -1.38 -0.29 0.00 -0.13 0.00 0.00 55.73 54.00 2vvq s ARG 39 Cb 0.07 0.09 -0.03 0.00 -1.56 0.00 0.00 34.95 33.52 2vvq s ARG 39 CO 0.66 -0.16 1.48 -0.47 -0.81 0.00 0.00 175.30 175.99 2vvq s TYR 40 N -3.89 2.37 -0.26 5.12 5.04 -1.26 -4.93 117.35 119.54 2vvq s TYR 40 Ca 0.18 0.63 -0.01 0.00 -2.44 0.00 0.00 57.07 55.42 2vvq s TYR 40 Cb 0.07 -3.80 0.08 0.00 0.35 0.00 0.00 41.96 38.66 2vvq s TYR 40 CO -0.02 -2.67 0.04 0.34 -1.34 0.00 0.00 175.55 171.90 2vvq s ASP 41 N 3.08 3.67 0.57 4.32 -1.08 -1.26 -5.02 116.67 120.95 2vvq s ASP 41 Ca 0.65 -1.29 0.29 0.00 -0.52 0.00 0.00 52.55 51.68 2vvq s ASP 41 Cb -0.25 -0.89 1.46 0.00 -1.46 0.00 0.00 42.92 41.78 2vvq s ASP 41 CO 0.24 -0.34 1.90 0.00 0.52 0.00 0.00 175.17 177.49 2vvq h ALA 42 N 8.09 2.42 -0.03 3.66 0.00 -1.94 -1.35 119.26 130.11 2vvq h ALA 42 Ca -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2vvq h ALA 42 Cb 1.06 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2vvq h ALA 42 CO 0.42 -0.84 -0.10 -0.25 0.00 0.00 0.00 179.25 178.48 2vvq n ASP 43 N -3.93 2.61 -4.78 0.00 8.00 -1.26 -4.91 116.55 112.28 2vvq n ASP 43 Ca 0.12 -1.83 -0.31 0.00 0.71 0.00 0.00 54.79 53.48 2vvq n ASP 43 Cb 0.76 0.09 0.09 0.00 -0.02 0.00 0.00 41.12 42.04 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 -2.10 4.59 -0.20 -2.24 1.47 -0.51 -5.01 116.67 112.66 2vvq s ASP 44 Ca 0.27 1.71 -0.03 0.00 1.18 0.00 0.00 52.55 55.69 2vvq s ASP 44 Cb 0.20 -2.45 -0.00 0.00 -0.34 0.00 0.00 42.92 40.32 2vvq s ASP 44 CO 0.36 -1.96 -0.08 -1.81 0.68 0.00 0.00 175.17 172.36 2vvq s ASP 45 N -3.51 4.07 0.28 2.11 1.01 -1.26 -4.65 116.67 114.72 2vvq s ASP 45 Ca 0.61 -0.42 -0.02 0.00 0.71 0.00 0.00 52.55 53.42 2vvq s ASP 45 Cb -0.16 -1.68 0.39 0.00 1.01 0.00 0.00 42.92 42.48 2vvq s ASP 45 CO 0.56 0.01 1.90 0.10 0.21 0.00 0.00 175.17 177.95 2vvq h TYR 46 N 7.88 1.00 -0.51 4.23 -0.00 -1.95 -3.35 116.97 124.27 2vvq h TYR 46 Ca -0.40 -0.03 0.10 0.00 0.00 0.00 0.00 58.73 58.41 2vvq h TYR 46 Cb 1.16 -0.32 -0.10 0.00 0.00 0.00 0.00 36.73 37.47 2vvq h TYR 46 CO 0.56 0.71 -0.18 -1.35 -0.00 0.00 0.00 178.16 177.89 2vvq h PRO 47 N 1.02 -0.06 -0.83 0.10 0.11 -1.96 -2.61 132.00 127.76 2vvq h PRO 47 Ca 0.26 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.46 2vvq h PRO 47 Cb 0.06 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.11 2vvq h PRO 47 CO -0.04 -0.04 0.48 0.00 -0.21 0.00 0.00 178.00 178.19 2vvq h ALA 48 N 1.36 1.19 -0.42 -0.75 0.00 -2.00 0.68 119.26 119.31 2vvq h ALA 48 Ca 0.24 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 2vvq h ALA 48 Cb 0.44 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2vvq h ALA 48 CO -0.56 0.12 -0.18 0.74 0.00 0.00 0.00 179.25 179.38 2vvq h PHE 49 N 0.82 0.92 0.11 0.00 -1.00 -1.71 -1.44 116.94 114.63 2vvq h PHE 49 Ca 0.40 -0.20 -0.22 0.00 2.81 0.00 0.00 57.97 60.77 2vvq h PHE 49 Cb 0.34 -0.22 0.02 0.00 3.61 0.00 0.00 35.95 39.70 2vvq h PHE 49 CO -0.06 0.93 -0.91 0.00 -1.61 0.00 0.00 178.31 176.66 2vvq h ILE 51 N -0.10 1.13 0.01 0.00 2.04 -0.93 -0.04 117.51 119.62 2vvq h ILE 51 Ca -0.14 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 2vvq h ILE 51 Cb 1.66 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2vvq h ILE 51 CO 0.17 0.22 -0.01 0.00 0.00 0.00 0.00 178.15 178.54 2vvq h ALA 52 N 1.44 -0.02 -0.27 1.87 0.00 -1.21 -0.72 119.26 120.35 2vvq h ALA 52 Ca 0.42 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.28 2vvq h ALA 52 Cb 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2vvq h ALA 52 CO -0.15 -0.45 0.16 0.00 0.00 0.00 0.00 179.25 178.81 2vvq h ALA 53 N 0.85 0.33 -0.39 0.00 0.00 -1.04 -1.63 119.26 117.39 2vvq h ALA 53 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2vvq h ALA 53 Cb 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2vvq h ALA 53 CO 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 179.25 179.04 2vvq h ALA 54 N 1.12 0.52 -0.38 0.00 0.00 -0.97 -1.24 119.26 118.31 2vvq h ALA 54 Ca 0.10 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2vvq h ALA 54 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2vvq h ALA 54 CO -0.05 0.28 0.23 1.15 0.00 0.00 0.00 179.25 180.86 2vvq h THR 55 N 0.50 1.12 -0.52 0.00 2.02 -1.04 -1.00 112.91 113.99 2vvq h THR 55 Ca 0.11 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 66.91 2vvq h THR 55 Cb 0.45 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2vvq h THR 55 CO 0.02 0.12 -0.04 0.03 0.37 0.00 0.00 175.52 176.03 2vvq h ARG 56 N 0.49 0.92 -0.10 6.66 3.08 -1.22 -1.87 114.38 122.33 2vvq h ARG 56 Ca 0.13 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 2vvq h ARG 56 Cb 0.00 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 2vvq h ARG 56 CO -0.03 0.93 -0.00 1.15 -1.07 0.00 0.00 179.97 180.95 2vvq h THR 57 N 0.84 1.25 -0.49 2.04 2.02 -1.06 -2.26 112.91 115.25 2vvq h THR 57 Ca 0.15 -0.81 -0.05 0.00 0.77 0.00 0.00 66.41 66.47 2vvq h THR 57 Cb 0.55 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 2vvq h THR 57 CO 0.03 0.23 0.09 0.58 0.37 0.00 0.00 175.52 176.82 2vvq h VAL 58 N -0.09 1.22 0.00 3.16 2.07 -1.14 -2.59 116.25 118.87 2vvq h VAL 58 Ca 0.03 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2vvq h VAL 58 Cb 0.36 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2vvq h VAL 58 CO 0.01 0.30 0.00 0.00 0.02 0.00 0.00 177.57 177.89 2vvq h ALA 59 N 1.38 1.00 -3.12 1.67 0.00 -1.27 -3.42 119.26 115.50 2vvq h ALA 59 Ca 0.16 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.37 2vvq h ALA 59 Cb 0.31 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 17.76 2vvq h ALA 59 CO 0.00 0.00 -0.54 0.34 0.00 0.00 0.00 179.25 179.05 2vvq s ASP 60 N -4.82 5.28 0.24 0.00 2.15 -0.86 -5.07 116.67 113.59 2vvq s ASP 60 Ca 0.06 -1.98 -0.31 0.00 0.43 0.00 0.00 52.55 50.74 2vvq s ASP 60 Cb 0.10 -1.84 -0.12 0.00 -0.30 0.00 0.00 42.92 40.76 2vvq s ASP 60 CO 0.52 -0.54 1.67 -2.65 -0.17 0.00 0.00 175.17 173.99 2vvq n PRO 61 N 4.62 2.72 -0.92 4.34 -0.02 -1.26 -1.95 135.00 142.53 2vvq n PRO 61 Ca -0.03 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2vvq n PRO 61 Cb 0.41 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 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 3.24 0.88 3.93 -1.23 0.00 -1.26 -5.04 105.19 105.71 2vvq n GLY 62 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.81 5.81 0.33 1.61 1.04 -0.82 -4.71 113.70 114.14 2vvq s SER 63 Ca 0.00 0.51 0.04 0.00 0.48 0.00 0.00 55.95 56.97 2vvq s SER 63 Cb 0.00 -1.68 -0.06 0.00 0.10 0.00 0.00 66.02 64.37 2vvq s SER 63 CO 0.00 -0.80 0.06 -0.76 0.98 0.00 0.00 173.24 172.72 2vvq s LEU 64 N -4.72 2.17 0.01 2.42 1.43 -0.71 -4.94 118.68 114.35 2vvq s LEU 64 Ca 0.50 -1.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.19 2vvq s LEU 64 Cb -0.10 -0.37 -0.01 0.00 0.03 0.00 0.00 46.19 45.73 2vvq s LEU 64 CO 0.41 -0.62 0.02 -0.83 0.23 0.00 0.00 176.35 175.56 2vvq s GLY 65 N -3.49 0.16 -0.05 -3.19 0.00 0.57 -0.73 107.32 100.59 2vvq s GLY 65 Ca 0.36 -0.40 -0.01 0.00 0.00 0.00 0.00 44.72 44.67 2vvq s GLY 65 CO 0.15 -0.49 0.01 -0.42 0.00 0.00 0.00 173.10 172.36 2vvq s ILE 66 N -1.29 0.20 -0.07 0.90 1.01 0.69 -2.10 121.20 120.54 2vvq s ILE 66 Ca -0.14 0.17 0.05 0.00 0.00 0.00 0.00 60.65 60.73 2vvq s ILE 66 Cb -0.08 -0.35 -0.01 0.00 0.01 0.00 0.00 42.46 42.03 2vvq s ILE 66 CO -0.00 0.20 -0.23 0.68 0.00 0.00 0.00 174.94 175.58 2vvq s VAL 67 N 1.62 2.20 -0.00 2.92 -7.23 -0.13 -1.95 120.40 117.83 2vvq s VAL 67 Ca -0.01 -1.01 0.05 0.00 -1.81 0.00 0.00 61.98 59.20 2vvq s VAL 67 Cb -0.13 -1.81 -0.01 0.00 0.56 0.00 0.00 36.38 34.99 2vvq s VAL 67 CO -0.03 0.57 -0.16 -0.76 -0.31 0.00 0.00 175.10 174.41 2vvq s LEU 68 N -0.13 2.06 0.00 1.32 1.02 0.21 -1.25 118.68 121.91 2vvq s LEU 68 Ca -0.04 -0.33 0.00 0.00 0.02 0.00 0.00 54.13 53.78 2vvq s LEU 68 Cb -0.14 -0.81 0.00 0.00 0.02 0.00 0.00 46.19 45.26 2vvq s LEU 68 CO 0.04 0.18 0.00 0.61 0.02 0.00 0.00 176.35 177.20 2vvq n GLY 69 N 2.53 4.62 0.41 -3.19 0.00 -1.12 -2.30 105.19 106.16 2vvq n GLY 69 Ca -0.15 -1.17 -0.16 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.09 0.58 -0.02 0.00 -1.87 0.46 103.07 101.15 2vvq h GLY 70 Ca 0.00 0.40 -0.11 0.00 0.00 0.00 0.00 47.33 47.62 2vvq h GLY 70 CO 0.00 -0.39 -1.62 -1.14 0.00 0.00 0.00 176.54 173.39 2vvq n SER 71 N -4.98 0.51 0.00 0.19 3.41 -1.26 -1.17 113.62 110.32 2vvq n SER 71 Ca -0.13 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2vvq n SER 71 Cb 0.41 0.83 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 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 1.36 1.32 0.13 5.00 0.00 -1.25 -2.47 105.19 109.29 2vvq n GLY 72 Ca -0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 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 0.43 -0.34 1.61 2.35 -1.94 -2.19 115.58 115.50 2vvq h ASN 73 Ca 0.00 -0.74 0.05 0.00 -0.55 0.00 0.00 56.30 55.07 2vvq h ASN 73 Cb 0.00 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2vvq h ASN 73 CO 0.00 1.10 0.23 1.23 -1.65 0.00 0.00 177.43 178.35 2vvq h GLY 74 N -0.21 0.27 0.88 2.83 0.00 -1.99 -1.75 103.07 103.10 2vvq h GLY 74 Ca -0.05 -0.09 -0.15 0.00 0.00 0.00 0.00 47.33 47.04 2vvq h GLY 74 CO 0.09 0.07 -0.55 0.83 0.00 0.00 0.00 176.54 176.98 2vvq h GLU 75 N 0.23 0.51 -0.32 4.80 3.07 -1.91 -1.28 114.58 119.69 2vvq h GLU 75 Ca 0.15 -0.44 -0.11 0.00 -0.50 0.00 0.00 59.36 58.46 2vvq h GLU 75 Cb 0.31 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 2vvq h GLU 75 CO -0.03 1.08 -0.26 -0.56 -1.40 0.00 0.00 179.01 177.84 2vvq h GLN 76 N 0.10 0.63 -0.01 2.33 -0.00 -1.31 -1.16 115.11 115.69 2vvq h GLN 76 Ca -0.05 -0.25 0.00 0.00 -0.00 0.00 0.00 58.65 58.35 2vvq h GLN 76 Cb 1.20 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.48 28.65 2vvq h GLN 76 CO 0.11 0.83 0.00 0.82 -0.00 0.00 0.00 178.83 180.59 2vvq h ILE 77 N 0.55 1.02 -0.35 1.86 2.04 -1.25 0.43 117.51 121.81 2vvq h ILE 77 Ca 0.07 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.87 2vvq h ILE 77 Cb 0.73 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 2vvq h ILE 77 CO 0.06 0.02 0.23 0.00 0.00 0.00 0.00 178.15 178.45 2vvq h ALA 78 N 0.97 0.45 -0.78 1.87 0.00 -1.20 -2.62 119.26 117.95 2vvq h ALA 78 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2vvq h ALA 78 Cb 0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2vvq h ALA 78 CO -0.00 -0.08 0.45 0.00 0.00 0.00 0.00 179.25 179.63 2vvq h ALA 79 N 1.11 1.34 0.00 0.00 0.00 -1.04 -2.41 119.26 118.26 2vvq h ALA 79 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2vvq h ALA 79 Cb -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.44 2vvq h ALA 79 CO -0.03 0.56 0.00 -0.91 0.00 0.00 0.00 179.25 178.87 2vvq h ASN 80 N 1.07 0.00 0.99 0.00 2.35 -0.56 -2.15 115.58 117.27 2vvq h ASN 80 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2vvq h ASN 80 Cb -0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2vvq h ASN 80 CO -0.05 0.00 0.00 0.11 -1.65 0.00 0.00 177.43 175.84 2vvq h LYS 81 N 0.00 0.00 -6.33 0.81 1.79 -1.10 -3.44 116.57 108.31 2vvq h LYS 81 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 2vvq h LYS 81 Cb 0.45 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.08 2vvq h LYS 81 CO 0.00 0.00 0.71 0.08 -1.08 0.00 0.00 179.45 179.16 2vvq s VAL 82 N -3.31 4.18 0.21 0.50 1.01 -0.81 -4.96 120.40 117.21 2vvq s VAL 82 Ca 0.05 1.51 -0.32 0.00 0.00 0.00 0.00 61.98 63.23 2vvq s VAL 82 Cb 0.10 -3.97 -0.14 0.00 0.00 0.00 0.00 36.38 32.37 2vvq s VAL 82 CO 0.47 0.00 1.46 -2.65 0.00 0.00 0.00 175.10 174.38 2vvq n PRO 83 N 5.17 2.05 0.00 2.72 -0.02 -1.26 -1.60 135.00 142.05 2vvq n PRO 83 Ca 0.11 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 2vvq n PRO 83 Cb 0.46 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 2.57 2.58 3.78 -1.23 0.00 -1.26 -5.01 105.19 106.62 2vvq n GLY 84 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.55 3.34 -0.26 4.61 0.00 -0.63 -4.99 121.76 121.28 2vvq s ALA 85 Ca 0.00 0.44 -0.00 0.00 0.00 0.00 0.00 51.96 52.39 2vvq s ALA 85 Cb 0.00 -3.06 0.08 0.00 0.00 0.00 0.00 23.12 20.13 2vvq s ALA 85 CO 0.00 0.24 0.03 1.03 0.00 0.00 0.00 175.76 177.06 2vvq s ARG 86 N -1.61 1.08 -0.29 0.00 0.52 -1.26 -4.79 118.95 112.60 2vvq s ARG 86 Ca 0.43 -0.95 -0.00 0.00 -0.52 0.00 0.00 55.73 54.69 2vvq s ARG 86 Cb -0.21 -2.33 0.05 0.00 0.52 0.00 0.00 34.95 32.98 2vvq s ARG 86 CO 0.26 -0.76 -0.03 0.00 0.02 0.00 0.00 175.30 174.78 2vvq s ALA 88 N 1.19 3.10 -0.33 0.00 0.00 -0.86 -4.85 121.76 120.02 2vvq s ALA 88 Ca -0.06 -0.30 -0.14 0.00 0.00 0.00 0.00 51.96 51.47 2vvq s ALA 88 Cb -0.20 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 2vvq s ALA 88 CO -0.03 -0.79 0.29 -1.17 0.00 0.00 0.00 175.76 174.06 2vvq s LEU 89 N -5.15 4.38 -0.31 0.00 1.98 -1.26 -0.12 118.68 118.20 2vvq s LEU 89 Ca 0.55 -0.24 -0.11 0.00 -2.89 0.00 0.00 54.13 51.44 2vvq s LEU 89 Cb -0.11 -2.23 -0.03 0.00 0.66 0.00 0.00 46.19 44.48 2vvq s LEU 89 CO 0.51 -0.24 0.20 0.00 -1.89 0.00 0.00 176.35 174.93 2vvq s ALA 90 N 1.86 3.46 -0.02 5.97 0.00 -0.31 -4.85 121.76 127.88 2vvq s ALA 90 Ca 0.09 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.79 2vvq s ALA 90 Cb -0.17 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.43 2vvq s ALA 90 CO 0.11 -0.78 0.81 -2.67 0.00 0.00 0.00 175.76 173.23 2vvq n TRP 91 N 5.06 0.00 -3.78 0.00 4.27 -1.26 -4.53 117.44 117.20 2vvq n TRP 91 Ca -0.13 -0.31 -0.06 0.00 -3.89 0.00 0.00 57.50 53.10 2vvq n TRP 91 Cb 0.51 -0.03 -0.02 0.00 -1.36 0.00 0.00 31.31 30.41 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 -0.62 -0.27 0.22 -0.67 1.04 -1.26 -5.02 113.70 107.12 2vvq s SER 92 Ca 0.00 -0.47 -0.08 0.00 0.48 0.00 0.00 55.95 55.87 2vvq s SER 92 Cb 0.00 0.64 0.17 0.00 0.10 0.00 0.00 66.02 66.93 2vvq s SER 92 CO 0.00 -1.16 1.83 0.58 0.98 0.00 0.00 173.24 175.47 2vvq h VAL 93 N 2.00 1.24 -0.45 5.02 2.07 -1.91 -1.67 116.25 122.56 2vvq h VAL 93 Ca -0.22 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 2vvq h VAL 93 Cb 1.25 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2vvq h VAL 93 CO 0.25 0.28 0.28 -0.61 0.02 0.00 0.00 177.57 177.79 2vvq h GLN 94 N 1.14 0.61 -0.05 1.57 4.15 -1.97 -1.00 115.11 119.56 2vvq h GLN 94 Ca 0.29 -0.05 -0.17 0.00 0.77 0.00 0.00 58.65 59.48 2vvq h GLN 94 Cb 0.05 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 2vvq h GLN 94 CO -0.04 0.44 -0.73 1.79 -1.93 0.00 0.00 178.83 178.36 2vvq h THR 95 N 0.60 1.42 -0.57 2.39 1.35 -1.90 -0.25 112.91 115.95 2vvq h THR 95 Ca 0.16 -2.24 -0.00 0.00 -0.55 0.00 0.00 66.41 63.78 2vvq h THR 95 Cb -0.02 2.19 -0.03 0.00 -1.73 0.00 0.00 68.15 68.57 2vvq h THR 95 CO -0.03 0.66 0.36 0.00 -0.25 0.00 0.00 175.52 176.26 2vvq h ALA 96 N 1.05 0.73 -0.08 6.62 0.00 -1.19 -1.70 119.26 124.69 2vvq h ALA 96 Ca -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2vvq h ALA 96 Cb 1.29 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2vvq h ALA 96 CO 0.12 0.19 -0.00 0.00 0.00 0.00 0.00 179.25 179.56 2vvq h ALA 97 N 1.18 0.11 -0.43 0.00 0.00 -0.92 -3.06 119.26 116.14 2vvq h ALA 97 Ca 0.21 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2vvq h ALA 97 Cb -0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2vvq h ALA 97 CO -0.04 -0.20 0.12 -0.07 0.00 0.00 0.00 179.25 179.06 2vvq h LEU 98 N -0.15 0.58 -0.46 0.00 3.38 -1.06 0.20 115.31 117.81 2vvq h LEU 98 Ca 0.02 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.00 2vvq h LEU 98 Cb 0.36 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.88 2vvq h LEU 98 CO 0.00 0.57 -0.01 0.00 0.09 0.00 0.00 178.44 179.10 2vvq h ALA 99 N 1.52 0.42 0.07 1.53 0.00 -1.25 0.24 119.26 121.79 2vvq h ALA 99 Ca 0.15 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2vvq h ALA 99 Cb 0.21 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2vvq h ALA 99 CO -0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 179.25 178.82 2vvq h ARG 100 N 0.11 -0.09 -0.33 0.00 2.47 -1.38 -0.73 114.38 114.43 2vvq h ARG 100 Ca 0.23 0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.90 2vvq h ARG 100 Cb 0.34 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.67 2vvq h ARG 100 CO -0.39 0.34 -0.03 1.49 0.56 0.00 0.00 179.97 181.95 2vvq h GLU 101 N -0.55 0.59 0.01 0.04 4.81 -0.50 -2.37 114.58 116.61 2vvq h GLU 101 Ca -0.01 -0.20 -0.41 0.00 -0.13 0.00 0.00 59.36 58.61 2vvq h GLU 101 Cb 0.47 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.74 2vvq h GLU 101 CO 0.02 0.74 -2.41 0.72 -0.73 0.00 0.00 179.01 177.35 2vvq n HIS 102 N -4.50 0.14 1.06 0.92 8.25 0.82 -2.41 115.22 119.50 2vvq n HIS 102 Ca -0.02 0.04 0.12 0.00 -0.26 0.00 0.00 57.72 57.60 2vvq n HIS 102 Cb 0.29 -1.02 0.08 0.00 1.12 0.00 0.00 29.99 30.47 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 -3.77 1.95 -4.24 0.41 5.03 -0.98 -4.76 115.26 108.90 2vvq n ASN 103 Ca -0.48 -1.46 -0.35 0.00 0.87 0.00 0.00 54.58 53.16 2vvq n ASN 103 Cb 0.93 0.36 -0.05 0.00 -1.02 0.00 0.00 39.78 40.01 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 0.02 -1.81 -4.69 6.41 5.15 -0.62 -4.85 115.26 114.87 2vvq n ASN 104 Ca 0.10 -1.09 -0.42 0.00 -0.60 0.00 0.00 54.58 52.57 2vvq n ASN 104 Cb 0.46 -2.44 -0.03 0.00 -0.53 0.00 0.00 39.78 37.24 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 -3.58 3.62 -0.44 5.20 0.00 -0.38 -4.88 121.76 121.31 2vvq s ALA 105 Ca 0.50 1.02 0.23 0.00 0.00 0.00 0.00 51.96 53.72 2vvq s ALA 105 Cb -0.28 -3.61 0.37 0.00 0.00 0.00 0.00 23.12 19.60 2vvq s ALA 105 CO 0.95 -0.92 1.62 1.96 0.00 0.00 0.00 175.76 179.38 2vvq h GLN 106 N 7.78 0.00 -5.50 0.00 7.50 -1.78 -3.42 115.11 119.69 2vvq h GLN 106 Ca -0.40 0.00 -0.43 0.00 0.50 0.00 0.00 58.65 58.32 2vvq h GLN 106 Cb 1.19 0.00 -0.19 0.00 0.05 0.00 0.00 27.48 28.53 2vvq h GLN 106 CO 0.90 0.00 -0.77 -0.51 -1.50 0.00 0.00 178.83 176.95 2vvq s LEU 107 N -6.16 2.37 0.09 1.46 1.02 -1.12 -0.32 118.68 116.02 2vvq s LEU 107 Ca 0.07 -0.76 0.07 0.00 0.02 0.00 0.00 54.13 53.53 2vvq s LEU 107 Cb 0.05 -0.59 -0.03 0.00 0.02 0.00 0.00 46.19 45.64 2vvq s LEU 107 CO 0.67 -0.11 -0.19 0.27 0.02 0.00 0.00 176.35 177.01 2vvq s ILE 108 N -1.87 1.53 -0.01 -0.59 -4.36 -0.89 -2.03 121.20 112.97 2vvq s ILE 108 Ca 0.07 -1.46 -0.09 0.00 -0.26 0.00 0.00 60.65 58.91 2vvq s ILE 108 Cb -0.06 -1.41 -0.05 0.00 1.25 0.00 0.00 42.46 42.19 2vvq s ILE 108 CO 0.03 -0.10 0.30 -0.83 0.24 0.00 0.00 174.94 174.58 2vvq s GLY 109 N -1.82 2.31 -0.02 6.27 0.00 0.83 -0.95 107.32 113.92 2vvq s GLY 109 Ca 0.04 -0.47 0.03 0.00 0.00 0.00 0.00 44.72 44.33 2vvq s GLY 109 CO 0.04 -0.22 -0.13 -0.42 0.00 0.00 0.00 173.10 172.37 2vvq s ILE 110 N -1.21 1.04 -0.36 0.90 1.01 -0.38 -1.16 121.20 121.04 2vvq s ILE 110 Ca 0.25 -0.52 -0.25 0.00 0.00 0.00 0.00 60.65 60.13 2vvq s ILE 110 Cb -0.14 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.45 2vvq s ILE 110 CO 0.13 0.30 0.87 -0.83 0.00 0.00 0.00 174.94 175.42 2vvq s GLY 111 N -0.02 1.61 0.62 6.18 0.00 -1.03 -2.77 107.32 111.90 2vvq s GLY 111 Ca -0.00 -0.49 0.39 0.00 0.00 0.00 0.00 44.72 44.61 2vvq s GLY 111 CO 0.01 1.91 2.25 -1.33 0.00 0.00 0.00 173.10 175.94 2vvq h GLY 112 N 9.89 0.00 -0.76 0.20 0.00 0.30 -2.50 103.07 110.19 2vvq h GLY 112 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2vvq h GLY 112 CO 0.95 0.00 -0.12 0.54 0.00 0.00 0.00 176.54 177.91 2vvq n ARG 113 N -3.25 1.59 -0.00 4.80 1.74 -0.32 -4.47 116.66 116.75 2vvq n ARG 113 Ca -0.02 -1.11 0.06 0.00 -0.77 0.00 0.00 57.85 56.00 2vvq n ARG 113 Cb 0.14 -1.48 -0.08 0.00 -1.02 0.00 0.00 32.46 30.02 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 0.27 1.73 -4.14 5.56 2.81 -0.94 -5.02 117.12 117.39 2vvq n MET 114 Ca 0.15 -0.05 -0.10 0.00 -1.81 0.00 0.00 57.70 55.89 2vvq n MET 114 Cb 0.43 -1.19 -0.10 0.00 -0.71 0.00 0.00 33.22 31.65 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 -2.51 0.79 0.80 2.03 3.76 -1.25 -5.09 115.29 113.82 2vvq s HIS 115 Ca 0.00 -0.93 -0.11 0.00 -0.15 0.00 0.00 55.06 53.88 2vvq s HIS 115 Cb 0.09 -0.48 0.07 0.00 1.11 0.00 0.00 32.58 33.37 2vvq s HIS 115 CO 0.52 -0.20 1.09 0.95 -0.85 0.00 0.00 174.74 176.25 2vvq s THR 116 N -3.56 3.21 0.18 1.30 -4.23 -1.26 -4.87 115.64 106.41 2vvq s THR 116 Ca 0.09 0.39 -0.13 0.00 -1.18 0.00 0.00 61.69 60.86 2vvq s THR 116 Cb 0.05 -2.96 0.08 0.00 1.34 0.00 0.00 72.50 71.01 2vvq s THR 116 CO -0.06 -0.51 1.78 0.58 -0.54 0.00 0.00 174.62 175.87 2vvq h VAL 117 N -1.18 0.93 -0.66 2.29 2.07 -1.99 -0.81 116.25 116.91 2vvq h VAL 117 Ca -0.46 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 66.98 2vvq h VAL 117 Cb 1.25 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 2vvq h VAL 117 CO 0.54 0.08 0.33 0.00 0.02 0.00 0.00 177.57 178.54 2vvq h ALA 118 N 1.29 0.88 -0.25 1.67 0.00 -1.99 0.21 119.26 121.07 2vvq h ALA 118 Ca 0.23 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2vvq h ALA 118 Cb 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2vvq h ALA 118 CO -0.18 -0.05 0.11 0.93 0.00 0.00 0.00 179.25 180.06 2vvq h GLU 119 N 0.58 0.37 -0.92 0.00 5.08 -1.83 -2.33 114.58 115.53 2vvq h GLU 119 Ca 0.31 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2vvq h GLU 119 Cb 0.29 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2vvq h GLU 119 CO -0.24 0.39 0.58 0.00 -1.00 0.00 0.00 179.01 178.75 2vvq h ALA 120 N 0.96 1.17 -0.23 3.43 0.00 -0.52 -1.84 119.26 122.22 2vvq h ALA 120 Ca 0.08 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2vvq h ALA 120 Cb 0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2vvq h ALA 120 CO -0.01 0.60 -0.47 -0.07 0.00 0.00 0.00 179.25 179.30 2vvq h LEU 121 N 1.26 0.66 -0.65 0.00 3.38 -0.54 -1.54 115.31 117.87 2vvq h LEU 121 Ca 0.33 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 58.03 2vvq h LEU 121 Cb -0.10 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 2vvq h LEU 121 CO -0.07 1.02 0.38 0.00 0.09 0.00 0.00 178.44 179.86 2vvq h ALA 122 N 1.00 0.85 0.01 1.53 0.00 -1.18 0.02 119.26 121.50 2vvq h ALA 122 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2vvq h ALA 122 Cb 1.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2vvq h ALA 122 CO 0.09 0.08 -0.17 0.82 0.00 0.00 0.00 179.25 180.08 2vvq h ILE 123 N 0.71 0.59 -0.58 0.00 2.04 -1.09 -1.62 117.51 117.57 2vvq h ILE 123 Ca 0.28 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.22 2vvq h ILE 123 Cb 0.11 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 36.72 2vvq h ILE 123 CO -0.15 0.00 0.21 0.58 0.00 0.00 0.00 178.15 178.80 2vvq h VAL 124 N -0.28 0.79 -0.45 1.67 2.07 -1.01 -1.56 116.25 117.47 2vvq h VAL 124 Ca 0.05 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2vvq h VAL 124 Cb 0.35 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2vvq h VAL 124 CO -0.15 0.07 0.25 0.44 0.02 0.00 0.00 177.57 178.20 2vvq h ASP 125 N 0.40 0.57 -0.64 0.57 3.32 -0.79 -0.81 116.42 119.04 2vvq h ASP 125 Ca 0.29 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.26 2vvq h ASP 125 Cb 0.34 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 2vvq h ASP 125 CO -0.29 0.50 0.41 0.00 -1.72 0.00 0.00 179.24 178.15 2vvq h ALA 126 N 1.09 0.82 -0.16 3.45 0.00 -0.99 -2.08 119.26 121.40 2vvq h ALA 126 Ca 0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2vvq h ALA 126 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2vvq h ALA 126 CO -0.02 0.20 0.08 0.35 0.00 0.00 0.00 179.25 179.86 2vvq h PHE 127 N 0.83 0.22 0.00 0.00 3.57 -0.63 -1.34 116.94 119.59 2vvq h PHE 127 Ca 0.24 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.74 2vvq h PHE 127 Cb -0.05 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.62 2vvq h PHE 127 CO -0.04 0.23 -0.08 1.33 -2.23 0.00 0.00 178.31 177.53 2vvq n VAL 128 N -4.92 0.10 0.17 1.41 0.24 -0.37 -3.75 118.33 111.22 2vvq n VAL 128 Ca -0.04 -0.05 0.05 0.00 -2.04 0.00 0.00 64.34 62.26 2vvq n VAL 128 Cb 0.08 -0.41 -0.08 0.00 -1.47 0.00 0.00 33.84 31.96 2vvq n VAL 128 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2vvq n THR 129 N -1.63 0.00 -2.84 3.34 -2.24 -0.79 -4.97 114.28 105.14 2vvq n THR 129 Ca 0.07 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 2vvq n THR 129 Cb 0.36 0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 69.07 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 -2.48 4.84 0.44 4.28 2.01 -0.51 -5.03 115.64 119.18 2vvq s THR 130 Ca -0.01 1.70 -0.22 0.00 0.31 0.00 0.00 61.69 63.47 2vvq s THR 130 Cb 0.07 -4.17 -0.09 0.00 0.01 0.00 0.00 72.50 68.32 2vvq s THR 130 CO 0.44 -0.02 1.04 -2.84 -0.69 0.00 0.00 174.62 172.55 2vvq s PRO 131 N 2.42 4.01 0.17 4.92 0.02 -1.26 -4.73 135.00 140.54 2vvq s PRO 131 Ca 0.39 1.41 -0.32 0.00 0.02 0.00 0.00 61.00 62.51 2vvq s PRO 131 Cb -0.16 -2.32 -0.11 0.00 0.02 0.00 0.00 34.50 31.93 2vvq s PRO 131 CO 0.11 -0.26 1.70 -0.46 -0.33 0.00 0.00 177.00 177.76 2vvq s TRP 132 N -1.84 2.74 0.32 6.54 -0.00 -1.26 -3.81 118.94 121.62 2vvq s TRP 132 Ca 0.62 0.33 0.06 0.00 -0.00 0.00 0.00 56.10 57.12 2vvq s TRP 132 Cb -0.18 -4.08 0.55 0.00 -0.00 0.00 0.00 33.47 29.76 2vvq s TRP 132 CO 0.23 -4.17 1.78 0.66 -0.00 0.00 0.00 176.95 175.45 2vvq h SER 133 N 7.33 0.31 -0.38 5.86 4.64 -1.66 -3.47 113.55 126.18 2vvq h SER 133 Ca -0.44 -0.10 -0.16 0.00 -0.47 0.00 0.00 61.79 60.62 2vvq h SER 133 Cb 1.21 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 63.15 2vvq h SER 133 CO 0.94 0.58 -0.15 0.29 -0.87 0.00 0.00 176.83 177.62 2vvq n LYS 134 N -4.14 -1.32 -2.12 4.77 5.02 -1.26 -4.99 118.16 114.12 2vvq n LYS 134 Ca -0.01 0.72 -0.37 0.00 -2.02 0.00 0.00 58.31 56.63 2vvq n LYS 134 Cb 0.38 -4.88 0.01 0.00 -0.02 0.00 0.00 35.03 30.52 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 -1.91 2.92 0.17 7.82 0.00 -1.26 -4.85 121.76 124.65 2vvq s ALA 135 Ca 0.00 1.05 -0.17 0.00 0.00 0.00 0.00 51.96 52.84 2vvq s ALA 135 Cb 0.00 -3.44 0.12 0.00 0.00 0.00 0.00 23.12 19.80 2vvq s ALA 135 CO 0.00 -0.87 1.65 0.37 0.00 0.00 0.00 175.76 176.91 2vvq h GLN 136 N 1.84 -0.03 -0.21 0.00 4.15 -1.99 -2.09 115.11 116.78 2vvq h GLN 136 Ca -0.50 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 58.83 2vvq h GLN 136 Cb 1.26 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.95 2vvq h GLN 136 CO 0.59 -0.02 -0.25 0.07 -1.93 0.00 0.00 178.83 177.29 2vvq h ARG 137 N -0.03 0.40 -0.24 1.69 0.11 -1.99 0.01 114.38 114.33 2vvq h ARG 137 Ca 0.21 -0.15 -0.11 0.00 0.10 0.00 0.00 59.98 60.03 2vvq h ARG 137 Cb 0.35 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.40 2vvq h ARG 137 CO -0.46 0.63 -0.28 0.45 0.10 0.00 0.00 179.97 180.41 2vvq h HIS 138 N 0.36 0.74 -0.84 4.08 3.86 -1.77 -2.32 115.15 119.27 2vvq h HIS 138 Ca 0.05 -0.23 -0.03 0.00 -1.16 0.00 0.00 60.37 59.00 2vvq h HIS 138 Cb 0.64 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.92 2vvq h HIS 138 CO 0.02 0.96 0.40 0.37 0.86 0.00 0.00 177.93 180.53 2vvq h GLN 139 N 0.32 1.20 -0.58 2.45 5.75 -1.21 -1.82 115.11 121.22 2vvq h GLN 139 Ca 0.03 -0.18 0.01 0.00 -0.15 0.00 0.00 58.65 58.37 2vvq h GLN 139 Cb 0.85 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 29.15 2vvq h GLN 139 CO 0.07 0.92 0.38 -0.09 -2.65 0.00 0.00 178.83 177.46 2vvq h ARG 140 N 1.19 0.75 -0.41 1.69 2.43 -0.90 -0.44 114.38 118.69 2vvq h ARG 140 Ca 0.29 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.29 2vvq h ARG 140 Cb 0.12 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2vvq h ARG 140 CO -0.04 0.50 -0.22 0.00 -1.51 0.00 0.00 179.97 178.70 2vvq h ARG 141 N 0.78 0.87 -0.78 0.20 3.08 -1.12 -1.47 114.38 115.93 2vvq h ARG 141 Ca 0.22 -0.39 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 2vvq h ARG 141 Cb -0.08 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 2vvq h ARG 141 CO -0.05 1.04 0.28 0.82 -1.07 0.00 0.00 179.97 180.99 2vvq h ILE 142 N 0.69 1.26 -0.51 2.04 2.04 -1.23 -2.02 117.51 119.78 2vvq h ILE 142 Ca 0.09 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 2vvq h ILE 142 Cb 0.79 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2vvq h ILE 142 CO 0.06 0.35 0.27 0.44 0.00 0.00 0.00 178.15 179.27 2vvq h ASP 143 N 1.15 0.66 -0.64 1.72 3.32 -0.84 -0.16 116.42 121.62 2vvq h ASP 143 Ca 0.26 -0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.24 2vvq h ASP 143 Cb 0.26 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 2vvq h ASP 143 CO -0.02 0.58 0.38 0.40 -1.72 0.00 0.00 179.24 178.86 2vvq h ILE 144 N 0.68 1.04 -0.51 0.35 2.04 -1.04 -0.74 117.51 119.34 2vvq h ILE 144 Ca 0.18 -0.25 -0.10 0.00 1.00 0.00 0.00 64.86 65.69 2vvq h ILE 144 Cb 0.08 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 2vvq h ILE 144 CO -0.03 0.14 -0.06 0.25 0.00 0.00 0.00 178.15 178.45 2vvq h LEU 145 N 0.74 0.94 -1.10 1.44 5.85 -1.13 -2.03 115.31 120.02 2vvq h LEU 145 Ca 0.27 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 2vvq h LEU 145 Cb 0.07 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 2vvq h LEU 145 CO -0.13 1.06 0.19 0.00 -0.34 0.00 0.00 178.44 179.22 2vvq h ALA 146 N 0.92 1.28 -0.48 1.25 0.00 -0.70 -0.76 119.26 120.77 2vvq h ALA 146 Ca 0.14 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2vvq h ALA 146 Cb 0.61 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2vvq h ALA 146 CO 0.04 0.52 -0.18 1.49 0.00 0.00 0.00 179.25 181.12 2vvq h GLU 147 N 0.81 0.95 -0.74 0.00 4.57 -0.95 -1.92 114.58 117.30 2vvq h GLU 147 Ca 0.19 -0.38 -0.03 0.00 -1.18 0.00 0.00 59.36 57.96 2vvq h GLU 147 Cb 0.22 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 2vvq h GLU 147 CO -0.01 1.05 0.35 -0.92 -1.18 0.00 0.00 179.01 178.29 2vvq h TYR 148 N 0.83 1.08 -0.49 0.92 5.03 -0.94 -1.51 116.97 121.89 2vvq h TYR 148 Ca 0.12 -0.06 0.04 0.00 2.58 0.00 0.00 58.73 61.41 2vvq h TYR 148 Cb 0.74 -0.33 -0.03 0.00 1.55 0.00 0.00 36.73 38.66 2vvq h TYR 148 CO 0.05 0.80 0.33 0.93 -1.32 0.00 0.00 178.16 178.95 2vvq h GLU 149 N 1.05 0.51 0.03 1.82 5.08 -0.94 0.38 114.58 122.50 2vvq h GLU 149 Ca 0.25 -0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 58.31 2vvq h GLU 149 Cb 0.14 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.29 2vvq h GLU 149 CO -0.03 0.34 -1.08 -0.09 -1.00 0.00 0.00 179.01 177.14 2vvq h ARG 150 N 0.52 0.66 0.00 2.33 2.43 -0.76 -3.39 114.38 116.17 2vvq h ARG 150 Ca 0.20 -0.74 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 2vvq h ARG 150 Cb 0.15 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2vvq h ARG 150 CO -0.05 1.32 -1.14 0.25 -1.51 0.00 0.00 179.97 178.84 2vvq n THR 151 N -3.83 0.00 -1.55 0.20 -2.24 -0.62 -5.00 114.28 101.24 2vvq n THR 151 Ca -0.11 -0.12 -0.14 0.00 -2.27 0.00 0.00 64.05 61.41 2vvq n THR 151 Cb 0.90 0.44 -0.05 0.00 -2.10 0.00 0.00 70.33 69.52 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 -1.62 -0.48 -2.77 4.78 8.25 0.13 -4.97 115.22 118.55 2vvq n HIS 152 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.02 2vvq n HIS 152 Cb 0.11 -2.71 -0.04 0.00 1.12 0.00 0.00 29.99 28.48 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 -3.45 3.64 0.10 -0.41 2.02 -1.26 -5.00 118.70 114.34 2vvq s GLU 153 Ca 0.00 0.35 -0.31 0.00 0.02 0.00 0.00 54.97 55.03 2vvq s GLU 153 Cb 0.00 -3.89 -0.09 0.00 0.10 0.00 0.00 34.13 30.24 2vvq s GLU 153 CO 0.00 -1.20 1.70 0.00 0.02 0.00 0.00 175.26 175.79 2vvq s ALA 154 N 3.85 3.73 0.53 5.21 0.00 -1.26 -4.66 121.76 129.16 2vvq s ALA 154 Ca 0.40 1.31 -0.22 0.00 0.00 0.00 0.00 51.96 53.46 2vvq s ALA 154 Cb -0.10 -3.71 -0.05 0.00 0.00 0.00 0.00 23.12 19.26 2vvq s ALA 154 CO 0.26 -1.10 1.29 -1.25 0.00 0.00 0.00 175.76 174.96 2vvq s PRO 155 N 2.48 3.25 0.41 0.00 0.04 -1.26 -4.93 135.00 134.99 2vvq s PRO 155 Ca 0.76 2.08 -0.25 0.00 0.04 0.00 0.00 61.00 63.63 2vvq s PRO 155 Cb -0.42 -2.25 -0.08 0.00 0.04 0.00 0.00 34.50 31.79 2vvq s PRO 155 CO 0.33 -1.05 1.16 -1.25 0.04 0.00 0.00 177.00 176.24 2vvq s PRO 156 N -2.91 4.01 0.14 0.56 0.04 -1.26 -5.01 135.00 130.57 2vvq s PRO 156 Ca 0.71 1.80 -0.26 0.00 0.04 0.00 0.00 61.00 63.29 2vvq s PRO 156 Cb -0.36 -2.61 -0.07 0.00 0.04 0.00 0.00 34.50 31.49 2vvq s PRO 156 CO 0.43 -0.35 0.81 0.08 0.04 0.00 0.00 177.00 178.01 2vvq s VAL 157 N -1.46 4.43 0.03 -0.36 1.01 -1.26 -5.01 120.40 117.78 2vvq s VAL 157 Ca 0.58 1.77 -0.35 0.00 0.00 0.00 0.00 61.98 63.98 2vvq s VAL 157 Cb -0.30 -4.17 -0.14 0.00 0.00 0.00 0.00 36.38 31.77 2vvq s VAL 157 CO 0.37 0.46 1.64 -2.65 0.00 0.00 0.00 175.10 174.92 2vvq n PRO 158 N 1.99 1.88 0.00 2.72 -0.02 -1.26 -5.32 135.00 134.98 2vvq n PRO 158 Ca -0.04 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2vvq n PRO 158 Cb 0.49 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2vvq n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89