#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vvq s GLY 3 N 0.00 1.90 -0.02 0.46 0.00 -1.26 -4.99 107.32 103.42 2vvq s GLY 3 Ca 0.00 1.32 0.04 0.00 0.00 0.00 0.00 44.72 46.08 2vvq s GLY 3 CO 0.00 2.46 -0.13 1.06 0.00 0.00 0.00 173.10 176.49 2vvq s MET 4 N 0.58 2.42 0.05 2.90 1.00 -1.26 -4.93 119.30 120.05 2vvq s MET 4 Ca 0.65 -0.76 -0.27 0.00 0.00 0.00 0.00 55.69 55.31 2vvq s MET 4 Cb -0.42 -2.37 -0.05 0.00 0.00 0.00 0.00 34.83 31.99 2vvq s MET 4 CO 0.35 0.60 0.83 0.50 0.00 0.00 0.00 175.02 177.30 2vvq s ARG 5 N -1.05 4.55 -0.12 2.03 3.52 -1.26 -0.85 118.95 125.76 2vvq s ARG 5 Ca 0.13 1.18 -0.02 0.00 -0.13 0.00 0.00 55.73 56.90 2vvq s ARG 5 Cb -0.11 -3.38 0.04 0.00 -1.56 0.00 0.00 34.95 29.94 2vvq s ARG 5 CO 0.03 0.22 0.01 0.08 -0.81 0.00 0.00 175.30 174.84 2vvq s VAL 6 N 0.10 0.46 -0.09 7.11 1.01 -0.58 -0.94 120.40 127.47 2vvq s VAL 6 Ca 0.42 -0.14 -0.25 0.00 0.00 0.00 0.00 61.98 62.00 2vvq s VAL 6 Cb -0.21 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 2vvq s VAL 6 CO 0.25 0.10 0.80 -0.31 0.00 0.00 0.00 175.10 175.94 2vvq s TYR 7 N 1.92 3.54 -0.03 5.22 1.51 0.55 0.06 117.35 130.12 2vvq s TYR 7 Ca 0.03 1.34 0.06 0.00 -1.01 0.00 0.00 57.07 57.49 2vvq s TYR 7 Cb -0.14 -2.94 -0.02 0.00 -0.11 0.00 0.00 41.96 38.75 2vvq s TYR 7 CO -0.06 -0.05 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.62 2vvq s LEU 8 N 1.32 2.43 0.01 -1.29 1.02 0.23 -0.87 118.68 121.53 2vvq s LEU 8 Ca 0.41 -0.33 0.01 0.00 0.02 0.00 0.00 54.13 54.23 2vvq s LEU 8 Cb -0.18 -1.46 -0.01 0.00 0.02 0.00 0.00 46.19 44.56 2vvq s LEU 8 CO 0.18 0.33 -0.03 -0.83 0.02 0.00 0.00 176.35 176.02 2vvq s GLY 9 N -0.73 0.19 -0.04 -3.19 0.00 -0.66 -0.02 107.32 102.87 2vvq s GLY 9 Ca 0.11 -0.32 -0.28 0.00 0.00 0.00 0.00 44.72 44.22 2vvq s GLY 9 CO 0.00 -0.34 0.62 0.00 0.00 0.00 0.00 173.10 173.38 2vvq s ALA 10 N -0.64 -1.61 0.84 3.20 0.00 -0.07 -0.41 121.76 123.06 2vvq s ALA 10 Ca -0.06 1.16 -0.07 0.00 0.00 0.00 0.00 51.96 52.99 2vvq s ALA 10 Cb -0.05 0.01 0.17 0.00 0.00 0.00 0.00 23.12 23.26 2vvq s ALA 10 CO -0.00 -0.35 1.15 0.16 0.00 0.00 0.00 175.76 176.71 2vvq s ASP 11 N -1.21 3.71 0.54 0.00 1.47 -1.09 -0.72 116.67 119.38 2vvq s ASP 11 Ca -0.11 -0.19 0.31 0.00 1.18 0.00 0.00 52.55 53.73 2vvq s ASP 11 Cb -0.01 0.02 1.48 0.00 -0.34 0.00 0.00 42.92 44.06 2vvq s ASP 11 CO 0.09 -2.31 1.89 1.12 0.68 0.00 0.00 175.17 176.65 2vvq h HIS 12 N -1.04 0.00 0.00 2.11 2.07 -1.83 0.19 115.15 116.65 2vvq h HIS 12 Ca -0.39 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.00 2vvq h HIS 12 Cb 1.25 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.21 2vvq h HIS 12 CO -0.70 0.00 -0.65 0.00 -3.07 0.00 0.00 177.93 173.51 2vvq h ALA 13 N 1.55 0.79 -0.13 6.11 0.00 -1.90 -3.18 119.26 122.50 2vvq h ALA 13 Ca 0.40 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2vvq h ALA 13 Cb 1.64 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2vvq h ALA 13 CO -0.00 0.81 0.00 0.41 0.00 0.00 0.00 179.25 180.47 2vvq n GLY 14 N 0.62 0.75 0.06 0.00 0.00 -0.67 -4.33 105.19 101.62 2vvq n GLY 14 Ca -0.00 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 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 3.15 0.03 -0.64 1.61 3.20 -0.98 -0.04 116.97 123.30 2vvq h TYR 15 Ca 0.00 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 2vvq h TYR 15 Cb 0.72 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 2vvq h TYR 15 CO 0.08 0.01 0.11 0.93 -1.64 0.00 0.00 178.16 177.65 2vvq h GLU 16 N 0.05 1.06 -0.57 1.82 4.39 -1.85 -2.48 114.58 117.00 2vvq h GLU 16 Ca 0.03 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.42 2vvq h GLU 16 Cb 0.02 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 2vvq h GLU 16 CO -0.04 0.98 0.26 1.25 -1.16 0.00 0.00 179.01 180.30 2vvq h LEU 17 N 0.98 0.77 -0.51 1.33 5.85 -1.86 -2.78 115.31 119.09 2vvq h LEU 17 Ca 0.20 -0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.87 2vvq h LEU 17 Cb 0.43 -0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.18 2vvq h LEU 17 CO 0.01 0.70 -0.02 0.50 -0.34 0.00 0.00 178.44 179.29 2vvq h LYS 18 N 0.78 0.10 -0.77 1.25 3.64 -0.73 0.64 116.57 121.47 2vvq h LYS 18 Ca 0.20 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 2vvq h LYS 18 Cb 0.15 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 2vvq h LYS 18 CO -0.02 0.06 0.29 1.96 -2.27 0.00 0.00 179.45 179.47 2vvq h GLN 19 N 0.10 1.17 -0.71 1.90 1.08 -1.33 -0.43 115.11 116.90 2vvq h GLN 19 Ca 0.26 -0.22 0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2vvq h GLN 19 Cb 0.39 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.60 2vvq h GLN 19 CO -0.44 0.96 0.47 0.00 -0.95 0.00 0.00 178.83 178.87 2vvq h ARG 20 N 1.14 0.93 -0.43 1.46 3.08 -1.11 -2.43 114.38 117.01 2vvq h ARG 20 Ca 0.26 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.17 2vvq h ARG 20 Cb 0.25 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2vvq h ARG 20 CO -0.02 0.61 -0.03 0.82 -1.07 0.00 0.00 179.97 180.29 2vvq h ILE 21 N 0.96 1.27 -0.41 2.04 2.04 -0.31 -0.47 117.51 122.63 2vvq h ILE 21 Ca 0.26 -1.09 0.06 0.00 1.00 0.00 0.00 64.86 65.09 2vvq h ILE 21 Cb -0.11 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 2vvq h ILE 21 CO -0.06 0.37 0.09 0.40 0.00 0.00 0.00 178.15 178.96 2vvq h ILE 22 N 0.62 0.80 -0.31 -0.67 2.04 -1.01 0.37 117.51 119.36 2vvq h ILE 22 Ca 0.12 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 2vvq h ILE 22 Cb 0.53 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2vvq h ILE 22 CO 0.03 0.04 0.15 -0.08 0.00 0.00 0.00 178.15 178.29 2vvq h GLU 23 N 0.23 0.44 -0.74 2.37 4.57 -1.17 -1.48 114.58 118.78 2vvq h GLU 23 Ca 0.19 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 2vvq h GLU 23 Cb 0.23 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 2vvq h GLU 23 CO -0.25 0.40 0.46 1.25 -1.18 0.00 0.00 179.01 179.70 2vvq h HIS 24 N 0.36 0.96 -0.62 0.92 2.76 -0.51 -0.92 115.15 118.10 2vvq h HIS 24 Ca 0.11 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 2vvq h HIS 24 Cb 0.10 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 28.71 2vvq h HIS 24 CO -0.02 0.63 0.28 -0.07 -1.30 0.00 0.00 177.93 177.45 2vvq h LEU 25 N 1.01 0.83 -0.55 0.26 3.38 -0.06 -1.52 115.31 118.66 2vvq h LEU 25 Ca 0.27 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.11 2vvq h LEU 25 Cb -0.06 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2vvq h LEU 25 CO -0.05 0.74 0.35 0.11 0.09 0.00 0.00 178.44 179.68 2vvq h LYS 26 N 0.86 0.68 0.00 1.13 1.57 -0.87 -0.92 116.57 119.02 2vvq h LYS 26 Ca 0.21 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 2vvq h LYS 26 Cb 0.15 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2vvq h LYS 26 CO -0.02 0.45 -0.19 1.96 -0.57 0.00 0.00 179.45 181.08 2vvq h GLN 27 N 0.70 0.00 -0.67 3.15 1.08 -0.79 -2.90 115.11 115.68 2vvq h GLN 27 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2vvq h GLN 27 Cb -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 2vvq h GLN 27 CO -0.07 0.19 0.00 0.25 -0.95 0.00 0.00 178.83 178.25 2vvq n THR 28 N -3.49 1.30 -0.32 -0.54 -2.24 -0.61 -4.96 114.28 103.42 2vvq n THR 28 Ca -0.01 -1.08 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 2vvq n THR 28 Cb 0.35 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 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 1.35 0.83 4.01 3.38 0.00 -1.02 -4.97 105.19 108.77 2vvq n GLY 29 Ca 0.24 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 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 2.09 -0.55 1.61 3.76 -0.38 -4.43 115.29 115.39 2vvq s HIS 30 Ca 0.00 -0.58 0.04 0.00 -0.15 0.00 0.00 55.06 54.37 2vvq s HIS 30 Cb 0.00 -2.27 0.14 0.00 1.11 0.00 0.00 32.58 31.56 2vvq s HIS 30 CO 0.00 -0.75 0.32 -2.00 -0.85 0.00 0.00 174.74 171.46 2vvq s GLU 31 N -4.49 1.95 0.05 1.40 2.12 -0.03 -4.20 118.70 115.50 2vvq s GLU 31 Ca 0.57 -2.70 -0.30 0.00 0.36 0.00 0.00 54.97 52.90 2vvq s GLU 31 Cb -0.07 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 2vvq s GLU 31 CO 0.35 -1.17 1.04 -1.25 -0.54 0.00 0.00 175.26 173.68 2vvq s PRO 32 N -0.48 4.56 -0.20 4.30 0.04 -1.26 -1.53 135.00 140.42 2vvq s PRO 32 Ca 0.20 1.53 -0.02 0.00 0.04 0.00 0.00 61.00 62.75 2vvq s PRO 32 Cb -0.19 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 30.95 2vvq s PRO 32 CO -0.05 -0.04 -0.10 0.42 0.04 0.00 0.00 177.00 177.27 2vvq s ILE 33 N 0.74 2.95 -0.34 0.56 1.01 0.11 -4.94 121.20 121.29 2vvq s ILE 33 Ca 0.52 -0.64 -0.23 0.00 0.00 0.00 0.00 60.65 60.31 2vvq s ILE 33 Cb -0.24 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 39.92 2vvq s ILE 33 CO 0.29 0.46 0.77 -0.62 0.00 0.00 0.00 174.94 175.85 2vvq s ASP 34 N 1.36 6.58 0.00 3.58 3.68 -1.26 -0.60 116.67 130.01 2vvq s ASP 34 Ca 0.05 0.46 0.27 0.00 2.13 0.00 0.00 52.55 55.46 2vvq s ASP 34 Cb -0.14 -2.39 0.86 0.00 -1.45 0.00 0.00 42.92 39.80 2vvq s ASP 34 CO -0.06 -0.67 1.63 0.00 0.13 0.00 0.00 175.17 176.20 2vvq n GLY 36 N 1.29 1.85 3.77 0.00 0.00 -1.25 -4.89 105.19 105.97 2vvq n GLY 36 Ca 0.14 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.34 3.07 -0.41 4.61 0.00 0.10 -0.89 121.76 125.90 2vvq s ALA 37 Ca 0.00 0.90 0.23 0.00 0.00 0.00 0.00 51.96 53.09 2vvq s ALA 37 Cb 0.00 -3.36 0.19 0.00 0.00 0.00 0.00 23.12 19.95 2vvq s ALA 37 CO 0.00 -0.51 1.25 -0.07 0.00 0.00 0.00 175.76 176.43 2vvq h LEU 38 N 2.40 0.00 -8.52 0.00 3.38 -1.91 -3.47 115.31 107.19 2vvq h LEU 38 Ca -0.49 -0.07 -0.22 0.00 0.09 0.00 0.00 57.88 57.19 2vvq h LEU 38 Cb 1.24 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.84 2vvq h LEU 38 CO 0.62 0.03 -0.65 -0.13 0.09 0.00 0.00 178.44 178.40 2vvq s ARG 39 N -3.27 1.01 -0.12 1.13 0.52 -1.26 -5.13 118.95 111.83 2vvq s ARG 39 Ca 0.03 -1.48 -0.29 0.00 -0.52 0.00 0.00 55.73 53.46 2vvq s ARG 39 Cb 0.10 0.08 -0.03 0.00 0.52 0.00 0.00 34.95 35.62 2vvq s ARG 39 CO 0.74 -0.23 1.37 -0.47 0.02 0.00 0.00 175.30 176.73 2vvq s TYR 40 N -3.93 2.64 -0.25 -0.53 5.04 -1.26 -4.90 117.35 114.16 2vvq s TYR 40 Ca 0.25 0.79 -0.01 0.00 -2.44 0.00 0.00 57.07 55.66 2vvq s TYR 40 Cb 0.07 -3.62 0.08 0.00 0.35 0.00 0.00 41.96 38.84 2vvq s TYR 40 CO 0.03 -2.30 0.05 0.34 -1.34 0.00 0.00 175.55 172.33 2vvq s ASP 41 N 2.30 3.53 0.61 4.32 -1.08 -1.26 -5.03 116.67 120.06 2vvq s ASP 41 Ca 0.60 -1.21 0.30 0.00 -0.52 0.00 0.00 52.55 51.71 2vvq s ASP 41 Cb -0.25 -0.80 1.61 0.00 -1.46 0.00 0.00 42.92 42.01 2vvq s ASP 41 CO 0.20 -0.34 1.99 0.00 0.52 0.00 0.00 175.17 177.53 2vvq h ALA 42 N 8.13 1.82 -0.03 3.66 0.00 -1.94 -1.39 119.26 129.51 2vvq h ALA 42 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2vvq h ALA 42 Cb 1.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2vvq h ALA 42 CO 0.40 -0.46 0.00 -0.25 0.00 0.00 0.00 179.25 178.94 2vvq n ASP 43 N -3.54 2.96 -4.81 0.00 8.00 -1.26 -4.94 116.55 112.96 2vvq n ASP 43 Ca 0.03 -1.98 -0.30 0.00 0.71 0.00 0.00 54.79 53.25 2vvq n ASP 43 Cb 0.47 -0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.63 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 -1.96 4.94 -0.20 -2.24 1.47 -0.52 -5.02 116.67 113.14 2vvq s ASP 44 Ca 0.27 1.46 -0.03 0.00 1.18 0.00 0.00 52.55 55.44 2vvq s ASP 44 Cb 0.20 -2.27 -0.01 0.00 -0.34 0.00 0.00 42.92 40.50 2vvq s ASP 44 CO 0.29 -1.70 -0.07 -1.81 0.68 0.00 0.00 175.17 172.56 2vvq s ASP 45 N -3.85 4.17 0.31 2.11 1.01 -1.26 -4.68 116.67 114.49 2vvq s ASP 45 Ca 0.59 -0.40 -0.01 0.00 0.71 0.00 0.00 52.55 53.45 2vvq s ASP 45 Cb -0.14 -1.70 0.50 0.00 1.01 0.00 0.00 42.92 42.59 2vvq s ASP 45 CO 0.55 0.01 1.97 0.10 0.21 0.00 0.00 175.17 178.01 2vvq h TYR 46 N 7.88 0.94 -0.45 4.23 -0.00 -1.95 -3.34 116.97 124.27 2vvq h TYR 46 Ca -0.40 0.01 0.09 0.00 0.00 0.00 0.00 58.73 58.43 2vvq h TYR 46 Cb 1.17 -0.31 -0.08 0.00 0.00 0.00 0.00 36.73 37.50 2vvq h TYR 46 CO 0.56 0.61 -0.06 -1.35 -0.00 0.00 0.00 178.16 177.92 2vvq h PRO 47 N 1.00 0.04 -0.88 0.10 0.11 -1.96 -2.61 132.00 127.80 2vvq h PRO 47 Ca 0.26 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.45 2vvq h PRO 47 Cb -0.07 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 30.96 2vvq h PRO 47 CO -0.05 0.03 0.54 0.00 -0.21 0.00 0.00 178.00 178.31 2vvq h ALA 48 N 1.42 1.25 -0.34 -0.75 0.00 -2.00 -0.20 119.26 118.64 2vvq h ALA 48 Ca 0.22 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 2vvq h ALA 48 Cb 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2vvq h ALA 48 CO -0.42 0.23 -0.24 0.74 0.00 0.00 0.00 179.25 179.56 2vvq h PHE 49 N 0.94 0.76 0.04 0.00 -1.00 -1.70 -1.93 116.94 114.06 2vvq h PHE 49 Ca 0.41 -0.17 -0.27 0.00 2.81 0.00 0.00 57.97 60.74 2vvq h PHE 49 Cb 0.27 -0.18 0.02 0.00 3.61 0.00 0.00 35.95 39.67 2vvq h PHE 49 CO -0.03 0.85 -1.09 0.00 -1.61 0.00 0.00 178.31 176.43 2vvq h ILE 51 N 0.33 1.25 0.49 0.00 2.04 -1.08 0.18 117.51 120.72 2vvq h ILE 51 Ca -0.15 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 2vvq h ILE 51 Cb 1.76 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 2vvq h ILE 51 CO 0.21 0.36 -0.23 0.00 0.00 0.00 0.00 178.15 178.49 2vvq h ALA 52 N 1.17 -0.65 -0.32 1.87 0.00 -1.33 0.15 119.26 120.14 2vvq h ALA 52 Ca 0.20 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2vvq h ALA 52 Cb 0.37 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2vvq h ALA 52 CO 0.00 -0.86 0.19 0.00 0.00 0.00 0.00 179.25 178.59 2vvq h ALA 53 N -0.15 0.40 -0.22 0.00 0.00 -1.24 -0.94 119.26 117.11 2vvq h ALA 53 Ca -0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2vvq h ALA 53 Cb 0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2vvq h ALA 53 CO 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 179.25 179.19 2vvq h ALA 54 N 1.14 0.29 -0.33 0.00 0.00 -0.59 -0.74 119.26 119.03 2vvq h ALA 54 Ca 0.12 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.88 2vvq h ALA 54 Cb -0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2vvq h ALA 54 CO -0.05 0.02 -0.00 1.15 0.00 0.00 0.00 179.25 180.36 2vvq h THR 55 N 0.15 0.76 -0.29 0.00 2.02 -0.63 -0.99 112.91 113.93 2vvq h THR 55 Ca 0.06 -0.03 -0.09 0.00 0.77 0.00 0.00 66.41 67.12 2vvq h THR 55 Cb 0.40 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 2vvq h THR 55 CO 0.01 0.02 -0.19 0.03 0.37 0.00 0.00 175.52 175.75 2vvq h ARG 56 N 0.09 0.53 -0.19 6.66 3.08 -1.01 -1.86 114.38 121.67 2vvq h ARG 56 Ca 0.16 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2vvq h ARG 56 Cb 0.21 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2vvq h ARG 56 CO -0.27 0.70 0.03 1.15 -1.07 0.00 0.00 179.97 180.51 2vvq h THR 57 N 0.47 1.22 -0.53 2.04 2.02 -0.78 -2.37 112.91 114.99 2vvq h THR 57 Ca 0.08 -0.73 -0.05 0.00 0.77 0.00 0.00 66.41 66.48 2vvq h THR 57 Cb 0.61 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 2vvq h THR 57 CO 0.04 0.22 0.14 0.58 0.37 0.00 0.00 175.52 176.87 2vvq h VAL 58 N 0.11 1.22 0.00 3.16 2.07 -0.89 -2.70 116.25 119.23 2vvq h VAL 58 Ca 0.06 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2vvq h VAL 58 Cb 0.31 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2vvq h VAL 58 CO 0.00 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.89 2vvq n ALA 59 N -2.46 2.27 -3.72 1.67 0.00 -0.73 -4.18 120.51 113.37 2vvq n ALA 59 Ca 0.04 -0.08 -0.28 0.00 0.00 0.00 0.00 53.44 53.12 2vvq n ALA 59 Cb 0.22 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.11 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 -1.61 3.02 -4.74 0.00 2.03 -0.90 -5.08 116.55 109.27 2vvq n ASP 60 Ca 0.07 -3.23 -0.40 0.00 0.52 0.00 0.00 54.79 51.74 2vvq n ASP 60 Cb 0.34 -0.72 0.01 0.00 -0.72 0.00 0.00 41.12 40.03 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 1.65 2.17 0.00 -0.67 -0.02 -1.26 -1.60 135.00 135.27 2vvq n PRO 61 Ca 0.23 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 2vvq n PRO 61 Cb 0.38 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 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 0.66 2.51 3.88 -1.23 0.00 -1.26 -5.05 105.19 104.71 2vvq n GLY 62 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.67 5.73 0.33 1.61 1.04 -0.63 -4.69 113.70 115.42 2vvq s SER 63 Ca 0.00 1.22 0.04 0.00 0.48 0.00 0.00 55.95 57.69 2vvq s SER 63 Cb 0.00 -2.11 -0.07 0.00 0.10 0.00 0.00 66.02 63.94 2vvq s SER 63 CO 0.00 -1.17 0.05 -0.76 0.98 0.00 0.00 173.24 172.34 2vvq s LEU 64 N -5.29 2.27 -0.00 2.42 1.43 -0.12 -4.91 118.68 114.49 2vvq s LEU 64 Ca 0.57 -1.36 -0.08 0.00 -1.03 0.00 0.00 54.13 52.22 2vvq s LEU 64 Cb -0.11 -0.45 0.01 0.00 0.03 0.00 0.00 46.19 45.67 2vvq s LEU 64 CO 0.52 -0.58 0.16 -0.83 0.23 0.00 0.00 176.35 175.86 2vvq s GLY 65 N -3.51 0.01 -0.06 -3.19 0.00 0.48 -0.33 107.32 100.73 2vvq s GLY 65 Ca 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 45.03 2vvq s GLY 65 CO 0.16 -0.19 -0.04 -0.42 0.00 0.00 0.00 173.10 172.61 2vvq s ILE 66 N -1.33 0.57 -0.05 0.90 1.01 -0.05 -2.14 121.20 120.11 2vvq s ILE 66 Ca -0.14 -0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.49 2vvq s ILE 66 Cb -0.07 -0.64 -0.02 0.00 0.01 0.00 0.00 42.46 41.74 2vvq s ILE 66 CO 0.02 0.26 -0.21 0.68 0.00 0.00 0.00 174.94 175.69 2vvq s VAL 67 N 1.41 2.42 0.03 2.92 -7.23 -0.11 -1.66 120.40 118.18 2vvq s VAL 67 Ca -0.03 -0.95 0.06 0.00 -1.81 0.00 0.00 61.98 59.25 2vvq s VAL 67 Cb -0.13 -1.90 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 2vvq s VAL 67 CO -0.03 0.57 -0.17 -0.76 -0.31 0.00 0.00 175.10 174.40 2vvq s LEU 68 N -0.36 2.14 0.00 1.32 2.01 0.45 -1.54 118.68 122.69 2vvq s LEU 68 Ca 0.03 -0.44 0.00 0.00 0.01 0.00 0.00 54.13 53.72 2vvq s LEU 68 Cb -0.12 -0.80 0.00 0.00 0.01 0.00 0.00 46.19 45.28 2vvq s LEU 68 CO 0.02 0.12 0.00 0.61 1.01 0.00 0.00 176.35 178.11 2vvq n GLY 69 N 2.06 4.50 0.30 -3.19 0.00 -1.13 -2.66 105.19 105.07 2vvq n GLY 69 Ca -0.17 -1.02 -0.11 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 -0.90 0.64 -0.02 0.00 -1.87 0.55 103.07 101.47 2vvq h GLY 70 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2vvq h GLY 70 CO 0.00 -0.31 -1.26 -1.14 0.00 0.00 0.00 176.54 173.83 2vvq n SER 71 N -4.12 0.57 0.00 0.19 3.41 -1.26 -1.11 113.62 111.30 2vvq n SER 71 Ca -0.09 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2vvq n SER 71 Cb 0.29 0.93 0.00 0.00 -0.26 0.00 0.00 64.21 65.17 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 1.25 1.75 0.17 5.00 0.00 -1.25 -2.77 105.19 109.35 2vvq n GLY 72 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 0.80 -0.26 1.61 2.35 -1.94 -1.45 115.58 116.69 2vvq h ASN 73 Ca 0.00 -0.78 -0.03 0.00 -0.55 0.00 0.00 56.30 54.94 2vvq h ASN 73 Cb 0.00 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 2vvq h ASN 73 CO 0.00 1.49 0.08 1.23 -1.65 0.00 0.00 177.43 178.57 2vvq h GLY 74 N 0.21 0.52 0.82 2.83 0.00 -1.99 -1.77 103.07 103.69 2vvq h GLY 74 Ca -0.14 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 46.81 2vvq h GLY 74 CO 0.19 0.25 -0.37 0.83 0.00 0.00 0.00 176.54 177.45 2vvq h GLU 75 N 0.48 0.48 -0.42 4.80 3.07 -1.89 -1.18 114.58 119.91 2vvq h GLU 75 Ca 0.11 -0.34 -0.08 0.00 -0.50 0.00 0.00 59.36 58.55 2vvq h GLU 75 Cb 0.20 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 2vvq h GLU 75 CO -0.00 0.96 -0.06 -0.56 -1.40 0.00 0.00 179.01 177.95 2vvq h GLN 76 N 0.08 0.72 -0.31 2.33 -0.00 -1.21 -1.58 115.11 115.15 2vvq h GLN 76 Ca -0.01 -0.21 0.00 0.00 -0.00 0.00 0.00 58.65 58.43 2vvq h GLN 76 Cb 0.99 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.48 28.38 2vvq h GLN 76 CO 0.08 0.78 0.19 0.82 -0.00 0.00 0.00 178.83 180.70 2vvq h ILE 77 N 0.67 1.10 -0.30 1.86 2.04 -1.25 -0.94 117.51 120.68 2vvq h ILE 77 Ca 0.12 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2vvq h ILE 77 Cb 0.50 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2vvq h ILE 77 CO 0.03 0.09 0.19 0.00 0.00 0.00 0.00 178.15 178.46 2vvq h ALA 78 N 1.09 0.39 -0.81 1.87 0.00 -1.12 -2.89 119.26 117.79 2vvq h ALA 78 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2vvq h ALA 78 Cb -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2vvq h ALA 78 CO -0.02 -0.13 0.51 0.00 0.00 0.00 0.00 179.25 179.61 2vvq h ALA 79 N 1.09 1.03 0.00 0.00 0.00 -1.11 -2.27 119.26 117.99 2vvq h ALA 79 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2vvq h ALA 79 Cb -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2vvq h ALA 79 CO -0.02 0.46 0.00 -0.91 0.00 0.00 0.00 179.25 178.78 2vvq h ASN 80 N 1.10 0.00 1.34 0.00 2.35 -1.00 -1.76 115.58 117.62 2vvq h ASN 80 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2vvq h ASN 80 Cb -0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.28 2vvq h ASN 80 CO -0.06 0.00 0.00 0.11 -1.65 0.00 0.00 177.43 175.83 2vvq h LYS 81 N 0.00 0.00 -6.34 0.81 1.79 -1.20 -3.45 116.57 108.17 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 0.28 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 2vvq h LYS 81 CO 0.00 0.00 0.69 0.08 -1.08 0.00 0.00 179.45 179.14 2vvq s VAL 82 N -3.26 4.19 0.07 0.50 1.01 -0.66 -4.95 120.40 117.30 2vvq s VAL 82 Ca 0.07 1.53 -0.35 0.00 0.00 0.00 0.00 61.98 63.23 2vvq s VAL 82 Cb 0.10 -3.98 -0.14 0.00 0.00 0.00 0.00 36.38 32.35 2vvq s VAL 82 CO 0.55 0.02 1.62 -2.65 0.00 0.00 0.00 175.10 174.64 2vvq n PRO 83 N 5.01 1.97 0.00 2.72 -0.02 -1.26 -1.66 135.00 141.77 2vvq n PRO 83 Ca 0.11 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2vvq n PRO 83 Cb 0.46 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 3.56 1.43 3.78 -1.23 0.00 -1.26 -4.97 105.19 106.49 2vvq n GLY 84 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.41 3.50 -0.21 4.61 0.00 -0.66 -4.98 121.76 121.60 2vvq s ALA 85 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.12 2vvq s ALA 85 Cb 0.00 -2.80 0.05 0.00 0.00 0.00 0.00 23.12 20.37 2vvq s ALA 85 CO 0.00 0.27 -0.08 1.03 0.00 0.00 0.00 175.76 176.98 2vvq s ARG 86 N -0.74 1.80 -0.23 0.00 0.52 -1.26 -4.74 118.95 114.30 2vvq s ARG 86 Ca 0.33 -0.87 0.02 0.00 -0.52 0.00 0.00 55.73 54.68 2vvq s ARG 86 Cb -0.20 -2.45 0.04 0.00 0.52 0.00 0.00 34.95 32.86 2vvq s ARG 86 CO 0.21 -0.50 -0.14 0.00 0.02 0.00 0.00 175.30 174.88 2vvq s ALA 88 N 1.17 3.23 -0.27 0.00 0.00 -0.61 -4.85 121.76 120.43 2vvq s ALA 88 Ca -0.04 -0.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.62 2vvq s ALA 88 Cb -0.17 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 2vvq s ALA 88 CO -0.08 -0.35 0.34 -1.17 0.00 0.00 0.00 175.76 174.50 2vvq s LEU 89 N -4.52 4.04 -0.33 0.00 2.96 -1.26 0.05 118.68 119.61 2vvq s LEU 89 Ca 0.53 0.24 -0.11 0.00 -0.22 0.00 0.00 54.13 54.57 2vvq s LEU 89 Cb -0.10 -2.38 -0.01 0.00 0.50 0.00 0.00 46.19 44.20 2vvq s LEU 89 CO 0.42 -0.16 0.20 0.00 -1.32 0.00 0.00 176.35 175.48 2vvq s ALA 90 N 2.02 3.39 0.00 5.97 0.00 -0.11 -4.84 121.76 128.19 2vvq s ALA 90 Ca 0.14 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.68 2vvq s ALA 90 Cb -0.16 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.42 2vvq s ALA 90 CO 0.10 -0.98 0.86 -2.67 0.00 0.00 0.00 175.76 173.07 2vvq n TRP 91 N 5.05 0.00 -3.49 0.00 4.27 -1.26 -4.53 117.44 117.48 2vvq n TRP 91 Ca -0.13 -0.36 -0.10 0.00 -3.89 0.00 0.00 57.50 53.02 2vvq n TRP 91 Cb 0.49 -0.04 -0.02 0.00 -1.36 0.00 0.00 31.31 30.39 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 -0.72 -0.48 0.25 -0.67 1.04 -1.26 -5.00 113.70 106.86 2vvq s SER 92 Ca 0.00 -0.06 -0.05 0.00 0.48 0.00 0.00 55.95 56.32 2vvq s SER 92 Cb 0.00 0.55 0.36 0.00 0.10 0.00 0.00 66.02 67.03 2vvq s SER 92 CO 0.00 -0.91 1.85 0.58 0.98 0.00 0.00 173.24 175.74 2vvq h VAL 93 N 2.00 1.03 -0.30 5.02 2.07 -1.90 -1.60 116.25 122.57 2vvq h VAL 93 Ca -0.29 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2vvq h VAL 93 Cb 1.29 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2vvq h VAL 93 CO 0.35 0.18 0.16 -0.61 0.02 0.00 0.00 177.57 177.66 2vvq h GLN 94 N 0.98 0.42 -0.25 1.57 4.15 -1.97 -1.30 115.11 118.71 2vvq h GLN 94 Ca 0.39 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.63 2vvq h GLN 94 Cb 0.20 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 2vvq h GLN 94 CO -0.18 0.38 -0.37 1.79 -1.93 0.00 0.00 178.83 178.51 2vvq h THR 95 N 0.36 1.29 -0.44 2.39 1.35 -1.90 -0.81 112.91 115.16 2vvq h THR 95 Ca 0.10 -1.52 -0.01 0.00 -0.55 0.00 0.00 66.41 64.44 2vvq h THR 95 Cb 0.09 1.50 -0.02 0.00 -1.73 0.00 0.00 68.15 67.99 2vvq h THR 95 CO -0.02 0.48 0.24 0.00 -0.25 0.00 0.00 175.52 175.98 2vvq h ALA 96 N 1.11 0.56 -0.03 6.62 0.00 -1.19 -1.28 119.26 125.07 2vvq h ALA 96 Ca 0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2vvq h ALA 96 Cb 0.87 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2vvq h ALA 96 CO 0.07 0.08 0.01 0.00 0.00 0.00 0.00 179.25 179.42 2vvq h ALA 97 N 1.10 0.03 -0.16 0.00 0.00 -1.11 -3.15 119.26 115.97 2vvq h ALA 97 Ca 0.16 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2vvq h ALA 97 Cb 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2vvq h ALA 97 CO -0.03 -0.39 -0.17 -0.07 0.00 0.00 0.00 179.25 178.60 2vvq h LEU 98 N -0.12 0.25 -0.97 0.00 3.38 -1.13 -1.06 115.31 115.66 2vvq h LEU 98 Ca 0.01 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.02 2vvq h LEU 98 Cb 0.16 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.76 2vvq h LEU 98 CO -0.00 0.44 0.61 0.00 0.09 0.00 0.00 178.44 179.58 2vvq h ALA 99 N 1.59 1.43 0.04 1.53 0.00 -1.20 -0.04 119.26 122.61 2vvq h ALA 99 Ca 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2vvq h ALA 99 Cb 0.44 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2vvq h ALA 99 CO 0.03 0.25 -0.02 0.00 0.00 0.00 0.00 179.25 179.51 2vvq h ARG 100 N 1.00 -0.06 -0.22 0.00 2.47 -1.40 -0.60 114.38 115.57 2vvq h ARG 100 Ca 0.47 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 59.23 2vvq h ARG 100 Cb 0.40 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.70 2vvq h ARG 100 CO -0.24 0.45 0.01 0.93 0.56 0.00 0.00 179.97 181.68 2vvq h GLU 101 N -0.96 0.08 0.03 0.04 5.08 -1.13 -2.53 114.58 115.18 2vvq h GLU 101 Ca -0.01 -0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.00 2vvq h GLU 101 Cb 0.54 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 2vvq h GLU 101 CO 0.01 0.05 -1.97 0.72 -1.00 0.00 0.00 179.01 176.82 2vvq n HIS 102 N -5.13 0.68 1.06 4.33 8.25 -0.04 -2.65 115.22 121.72 2vvq n HIS 102 Ca -0.02 0.22 0.12 0.00 -0.26 0.00 0.00 57.72 57.77 2vvq n HIS 102 Cb 0.11 -1.08 0.08 0.00 1.12 0.00 0.00 29.99 30.23 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 -3.93 1.88 -4.35 0.41 5.03 -1.08 -4.78 115.26 108.44 2vvq n ASN 103 Ca -0.40 -1.42 -0.38 0.00 0.87 0.00 0.00 54.58 53.25 2vvq n ASN 103 Cb 0.88 0.38 -0.06 0.00 -1.02 0.00 0.00 39.78 39.96 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 -0.07 -1.82 -4.68 6.41 5.15 -0.91 -4.84 115.26 114.51 2vvq n ASN 104 Ca 0.10 -1.15 -0.42 0.00 -0.60 0.00 0.00 54.58 52.51 2vvq n ASN 104 Cb 0.45 -2.12 -0.03 0.00 -0.53 0.00 0.00 39.78 37.55 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 -3.49 3.64 -0.36 5.20 0.00 -0.28 -4.87 121.76 121.60 2vvq s ALA 105 Ca 0.62 1.05 0.21 0.00 0.00 0.00 0.00 51.96 53.84 2vvq s ALA 105 Cb -0.35 -3.71 0.29 0.00 0.00 0.00 0.00 23.12 19.35 2vvq s ALA 105 CO 0.98 -1.22 1.57 1.96 0.00 0.00 0.00 175.76 179.05 2vvq h GLN 106 N 8.86 0.00 -5.64 0.00 7.50 -1.77 -3.42 115.11 120.63 2vvq h GLN 106 Ca -0.41 0.00 -0.46 0.00 0.50 0.00 0.00 58.65 58.28 2vvq h GLN 106 Cb 1.19 0.00 -0.21 0.00 0.05 0.00 0.00 27.48 28.51 2vvq h GLN 106 CO 0.94 0.13 -0.79 -0.51 -1.50 0.00 0.00 178.83 177.09 2vvq s LEU 107 N -6.28 2.30 0.08 1.46 1.02 -1.08 -0.38 118.68 115.80 2vvq s LEU 107 Ca 0.06 -0.66 0.07 0.00 0.02 0.00 0.00 54.13 53.63 2vvq s LEU 107 Cb 0.06 -0.65 -0.03 0.00 0.02 0.00 0.00 46.19 45.59 2vvq s LEU 107 CO 0.69 -0.03 -0.20 0.27 0.02 0.00 0.00 176.35 177.09 2vvq s ILE 108 N -1.31 1.61 -0.01 -0.59 -4.36 -0.91 -1.58 121.20 114.06 2vvq s ILE 108 Ca 0.02 -1.39 -0.09 0.00 -0.26 0.00 0.00 60.65 58.93 2vvq s ILE 108 Cb -0.10 -1.45 -0.05 0.00 1.25 0.00 0.00 42.46 42.11 2vvq s ILE 108 CO 0.03 0.00 0.29 -0.83 0.24 0.00 0.00 174.94 174.67 2vvq s GLY 109 N -1.64 2.29 -0.02 6.27 0.00 0.11 -0.93 107.32 113.40 2vvq s GLY 109 Ca 0.06 -0.49 0.01 0.00 0.00 0.00 0.00 44.72 44.31 2vvq s GLY 109 CO 0.03 -0.24 -0.05 -0.42 0.00 0.00 0.00 173.10 172.42 2vvq s ILE 110 N -1.21 0.46 -0.27 0.90 1.01 -0.59 -0.94 121.20 120.56 2vvq s ILE 110 Ca 0.25 -0.18 -0.22 0.00 0.00 0.00 0.00 60.65 60.50 2vvq s ILE 110 Cb -0.14 -0.44 -0.01 0.00 0.01 0.00 0.00 42.46 41.89 2vvq s ILE 110 CO 0.13 0.16 0.73 -0.83 0.00 0.00 0.00 174.94 175.14 2vvq s GLY 111 N 0.32 1.76 0.34 6.18 0.00 -1.11 -2.84 107.32 111.96 2vvq s GLY 111 Ca -0.04 -0.37 0.26 0.00 0.00 0.00 0.00 44.72 44.57 2vvq s GLY 111 CO -0.00 1.64 1.78 -1.33 0.00 0.00 0.00 173.10 175.18 2vvq h GLY 112 N 9.18 0.00 -2.27 0.20 0.00 0.38 -3.00 103.07 107.56 2vvq h GLY 112 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2vvq h GLY 112 CO 0.84 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.92 2vvq n ARG 113 N -2.41 2.60 -0.02 4.80 1.74 -0.27 -4.54 116.66 118.57 2vvq n ARG 113 Ca 0.00 -2.39 0.03 0.00 -0.77 0.00 0.00 57.85 54.73 2vvq n ARG 113 Cb 0.17 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.03 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 1.37 0.76 -4.23 5.56 2.81 -1.13 -5.03 117.12 117.23 2vvq n MET 114 Ca 0.20 -0.08 -0.13 0.00 -1.81 0.00 0.00 57.70 55.88 2vvq n MET 114 Cb 0.57 -1.27 -0.10 0.00 -0.71 0.00 0.00 33.22 31.71 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 -2.68 1.17 0.72 2.03 3.76 -1.26 -5.10 115.29 113.93 2vvq s HIS 115 Ca -0.04 -0.82 -0.12 0.00 -0.15 0.00 0.00 55.06 53.92 2vvq s HIS 115 Cb 0.06 -0.62 0.03 0.00 1.11 0.00 0.00 32.58 33.16 2vvq s HIS 115 CO 0.47 -0.00 1.09 0.95 -0.85 0.00 0.00 174.74 176.39 2vvq s THR 116 N -3.43 3.50 0.19 1.30 -4.23 -1.26 -4.86 115.64 106.84 2vvq s THR 116 Ca 0.16 0.55 -0.13 0.00 -1.18 0.00 0.00 61.69 61.09 2vvq s THR 116 Cb 0.04 -3.10 0.10 0.00 1.34 0.00 0.00 72.50 70.88 2vvq s THR 116 CO -0.00 -0.57 1.85 0.58 -0.54 0.00 0.00 174.62 175.93 2vvq h VAL 117 N -0.66 1.16 -0.38 2.29 2.07 -1.98 0.03 116.25 118.78 2vvq h VAL 117 Ca -0.45 -0.31 0.07 0.00 0.82 0.00 0.00 66.70 66.83 2vvq h VAL 117 Cb 1.23 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 2vvq h VAL 117 CO 0.54 0.16 -0.02 0.00 0.02 0.00 0.00 177.57 178.26 2vvq h ALA 118 N 1.21 0.32 -0.26 1.67 0.00 -1.99 0.82 119.26 121.04 2vvq h ALA 118 Ca 0.22 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.27 2vvq h ALA 118 Cb -0.08 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2vvq h ALA 118 CO -0.05 -0.41 0.10 0.93 0.00 0.00 0.00 179.25 179.82 2vvq h GLU 119 N 0.07 0.22 -0.42 0.00 5.08 -1.84 -1.43 114.58 116.27 2vvq h GLU 119 Ca 0.18 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 2vvq h GLU 119 Cb 0.27 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2vvq h GLU 119 CO -0.33 0.15 0.25 0.00 -1.00 0.00 0.00 179.01 178.08 2vvq h ALA 120 N 1.16 0.53 -0.22 3.43 0.00 -0.55 -1.74 119.26 121.86 2vvq h ALA 120 Ca 0.11 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2vvq h ALA 120 Cb 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2vvq h ALA 120 CO -0.11 -0.07 -0.17 -0.07 0.00 0.00 0.00 179.25 178.83 2vvq h LEU 121 N 0.50 0.37 -0.67 0.00 3.38 -0.75 -1.11 115.31 117.03 2vvq h LEU 121 Ca 0.16 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2vvq h LEU 121 Cb 0.00 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2vvq h LEU 121 CO -0.07 0.56 0.14 0.00 0.09 0.00 0.00 178.44 179.16 2vvq h ALA 122 N 1.48 0.88 -0.17 1.53 0.00 -0.91 -0.98 119.26 121.10 2vvq h ALA 122 Ca 0.06 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2vvq h ALA 122 Cb 0.50 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2vvq h ALA 122 CO 0.03 0.62 0.09 0.82 0.00 0.00 0.00 179.25 180.82 2vvq h ILE 123 N 1.01 1.02 -0.35 0.00 2.04 -0.96 -1.99 117.51 118.27 2vvq h ILE 123 Ca 0.21 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 66.04 2vvq h ILE 123 Cb 0.40 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 2vvq h ILE 123 CO 0.01 0.04 0.11 0.58 0.00 0.00 0.00 178.15 178.88 2vvq h VAL 124 N 0.20 0.87 -0.26 1.67 2.07 -1.02 -1.50 116.25 118.28 2vvq h VAL 124 Ca 0.07 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.52 2vvq h VAL 124 Cb -0.00 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 2vvq h VAL 124 CO -0.03 0.04 0.13 0.44 0.02 0.00 0.00 177.57 178.17 2vvq h ASP 125 N 0.24 0.18 -0.97 0.57 3.32 -0.96 -0.74 116.42 118.07 2vvq h ASP 125 Ca 0.16 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.28 2vvq h ASP 125 Cb 0.16 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 2vvq h ASP 125 CO -0.18 0.14 0.63 0.00 -1.72 0.00 0.00 179.24 178.11 2vvq h ALA 126 N 1.14 1.42 -0.20 3.45 0.00 -1.19 -2.22 119.26 121.65 2vvq h ALA 126 Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2vvq h ALA 126 Cb 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2vvq h ALA 126 CO -0.08 0.46 -0.02 0.35 0.00 0.00 0.00 179.25 179.96 2vvq h PHE 127 N 1.16 0.41 -0.00 0.00 3.57 -0.25 -2.25 116.94 119.58 2vvq h PHE 127 Ca 0.40 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.82 2vvq h PHE 127 Cb 0.11 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.75 2vvq h PHE 127 CO -0.00 0.59 -0.03 1.33 -2.23 0.00 0.00 178.31 177.97 2vvq n VAL 128 N -4.66 0.00 0.04 1.41 0.24 -0.38 -3.91 118.33 111.07 2vvq n VAL 128 Ca -0.04 -0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.30 2vvq n VAL 128 Cb 0.25 -0.45 -0.08 0.00 -1.47 0.00 0.00 33.84 32.09 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 -1.49 0.00 -2.73 3.34 -2.24 -0.84 -4.90 114.28 105.41 2vvq n THR 129 Ca 0.07 -0.23 -0.43 0.00 -2.27 0.00 0.00 64.05 61.19 2vvq n THR 129 Cb 0.34 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.88 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 -2.62 4.74 0.44 4.28 2.01 -0.85 -5.03 115.64 118.61 2vvq s THR 130 Ca -0.03 1.89 -0.23 0.00 0.31 0.00 0.00 61.69 63.64 2vvq s THR 130 Cb 0.07 -4.25 -0.08 0.00 0.01 0.00 0.00 72.50 68.24 2vvq s THR 130 CO 0.42 -0.13 1.08 -2.84 -0.69 0.00 0.00 174.62 172.46 2vvq s PRO 131 N 2.94 3.93 0.17 4.92 0.02 -1.26 -4.72 135.00 141.01 2vvq s PRO 131 Ca 0.42 1.56 -0.32 0.00 0.02 0.00 0.00 61.00 62.68 2vvq s PRO 131 Cb -0.15 -2.38 -0.11 0.00 0.02 0.00 0.00 34.50 31.87 2vvq s PRO 131 CO 0.08 -0.35 1.77 -0.46 -0.33 0.00 0.00 177.00 177.70 2vvq s TRP 132 N -1.70 2.59 0.29 6.54 -0.00 -1.26 -3.48 118.94 121.92 2vvq s TRP 132 Ca 0.62 0.19 0.07 0.00 -0.00 0.00 0.00 56.10 56.98 2vvq s TRP 132 Cb -0.23 -4.16 0.44 0.00 -0.00 0.00 0.00 33.47 29.53 2vvq s TRP 132 CO 0.28 -4.56 1.69 0.66 -0.00 0.00 0.00 176.95 175.02 2vvq h SER 133 N 7.54 0.23 -0.56 5.86 4.64 -1.68 -3.47 113.55 126.10 2vvq h SER 133 Ca -0.44 -0.10 -0.24 0.00 -0.47 0.00 0.00 61.79 60.54 2vvq h SER 133 Cb 1.21 -0.06 -0.09 0.00 -0.31 0.00 0.00 62.40 63.14 2vvq h SER 133 CO 0.95 0.64 -0.22 0.29 -0.87 0.00 0.00 176.83 177.63 2vvq n LYS 134 N -4.00 -1.18 -1.83 4.77 5.02 -1.26 -4.98 118.16 114.69 2vvq n LYS 134 Ca -0.02 0.88 -0.41 0.00 -2.02 0.00 0.00 58.31 56.75 2vvq n LYS 134 Cb 0.50 -5.03 0.00 0.00 -0.02 0.00 0.00 35.03 30.48 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 -2.26 3.50 0.23 7.82 0.00 -1.26 -4.85 121.76 124.94 2vvq s ALA 135 Ca 0.00 1.52 -0.10 0.00 0.00 0.00 0.00 51.96 53.39 2vvq s ALA 135 Cb 0.00 -3.59 0.35 0.00 0.00 0.00 0.00 23.12 19.88 2vvq s ALA 135 CO 0.00 -1.05 1.64 0.37 0.00 0.00 0.00 175.76 176.72 2vvq h GLN 136 N 2.89 0.07 -0.18 0.00 4.15 -1.99 -1.89 115.11 118.17 2vvq h GLN 136 Ca -0.51 -0.00 -0.09 0.00 0.77 0.00 0.00 58.65 58.82 2vvq h GLN 136 Cb 1.24 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.90 2vvq h GLN 136 CO 0.64 0.05 -0.30 0.07 -1.93 0.00 0.00 178.83 177.35 2vvq h ARG 137 N 0.08 0.35 -0.16 1.69 0.11 -2.00 -0.58 114.38 113.86 2vvq h ARG 137 Ca 0.36 -0.14 -0.16 0.00 0.10 0.00 0.00 59.98 60.15 2vvq h ARG 137 Cb 0.61 -0.02 0.01 0.00 1.11 0.00 0.00 29.97 31.67 2vvq h ARG 137 CO -0.64 0.62 -0.54 0.45 0.10 0.00 0.00 179.97 179.96 2vvq h HIS 138 N 0.30 0.84 -0.66 4.08 3.86 -1.69 -1.93 115.15 119.95 2vvq h HIS 138 Ca 0.04 -0.35 -0.06 0.00 -1.16 0.00 0.00 60.37 58.85 2vvq h HIS 138 Cb 0.69 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.99 2vvq h HIS 138 CO 0.02 1.14 0.18 0.37 0.86 0.00 0.00 177.93 180.50 2vvq h GLN 139 N 0.31 1.03 -0.25 2.45 5.75 -1.16 0.59 115.11 123.83 2vvq h GLN 139 Ca -0.02 -0.22 -0.00 0.00 -0.15 0.00 0.00 58.65 58.25 2vvq h GLN 139 Cb 1.17 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.56 2vvq h GLN 139 CO 0.11 0.90 0.15 -0.09 -2.65 0.00 0.00 178.83 177.26 2vvq h ARG 140 N 0.99 0.34 -0.50 1.69 2.43 -0.98 0.12 114.38 118.47 2vvq h ARG 140 Ca 0.21 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 2vvq h ARG 140 Cb 0.31 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2vvq h ARG 140 CO -0.00 0.26 0.07 0.00 -1.51 0.00 0.00 179.97 178.79 2vvq h ARG 141 N 0.32 0.83 -0.90 0.20 3.08 -1.17 -0.51 114.38 116.22 2vvq h ARG 141 Ca 0.09 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 59.93 2vvq h ARG 141 Cb 0.01 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 29.92 2vvq h ARG 141 CO -0.02 0.83 0.60 0.82 -1.07 0.00 0.00 179.97 181.13 2vvq h ILE 142 N 0.70 1.23 -0.85 2.04 2.04 -0.69 -2.39 117.51 119.58 2vvq h ILE 142 Ca 0.15 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 2vvq h ILE 142 Cb 0.41 -0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 2vvq h ILE 142 CO 0.01 0.22 0.44 0.44 0.00 0.00 0.00 178.15 179.26 2vvq h ASP 143 N 1.22 1.09 -0.33 1.72 3.32 -0.35 -0.50 116.42 122.58 2vvq h ASP 143 Ca 0.33 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 2vvq h ASP 143 Cb -0.13 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.13 2vvq h ASP 143 CO -0.07 0.89 0.13 0.40 -1.72 0.00 0.00 179.24 178.87 2vvq h ILE 144 N 1.20 1.19 -0.49 0.35 2.04 -0.78 -1.01 117.51 120.01 2vvq h ILE 144 Ca 0.30 -0.57 -0.07 0.00 1.00 0.00 0.00 64.86 65.51 2vvq h ILE 144 Cb 0.07 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 2vvq h ILE 144 CO -0.04 0.20 0.02 0.25 0.00 0.00 0.00 178.15 178.57 2vvq h LEU 145 N 0.39 0.83 -1.18 1.44 5.85 -1.20 -2.10 115.31 119.34 2vvq h LEU 145 Ca 0.11 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.56 2vvq h LEU 145 Cb 0.19 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 2vvq h LEU 145 CO -0.01 0.93 0.56 0.00 -0.34 0.00 0.00 178.44 179.58 2vvq h ALA 146 N 0.94 1.46 -0.50 1.25 0.00 -0.94 0.80 119.26 122.27 2vvq h ALA 146 Ca 0.14 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2vvq h ALA 146 Cb 0.49 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2vvq h ALA 146 CO 0.02 0.46 -0.11 1.49 0.00 0.00 0.00 179.25 181.12 2vvq h GLU 147 N 1.07 0.95 -0.46 0.00 4.57 -1.00 -0.86 114.58 118.86 2vvq h GLU 147 Ca 0.33 -0.36 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2vvq h GLU 147 Cb 0.00 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 2vvq h GLU 147 CO -0.10 1.02 0.30 -0.92 -1.18 0.00 0.00 179.01 178.14 2vvq h TYR 148 N 0.81 0.57 -0.44 0.92 5.03 -0.77 -2.16 116.97 120.92 2vvq h TYR 148 Ca 0.13 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.45 2vvq h TYR 148 Cb 0.66 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.73 2vvq h TYR 148 CO 0.05 0.36 0.28 1.49 -1.32 0.00 0.00 178.16 179.01 2vvq h GLU 149 N 0.61 0.59 -0.38 1.82 4.81 -0.71 0.85 114.58 122.17 2vvq h GLU 149 Ca 0.17 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 2vvq h GLU 149 Cb -0.07 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 2vvq h GLU 149 CO -0.04 0.40 0.01 -0.09 -0.73 0.00 0.00 179.01 178.56 2vvq h ARG 150 N 0.60 0.66 0.00 1.92 2.43 -0.56 -3.38 114.38 116.05 2vvq h ARG 150 Ca 0.16 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2vvq h ARG 150 Cb -0.04 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 2vvq h ARG 150 CO -0.03 0.76 -1.20 0.25 -1.51 0.00 0.00 179.97 178.24 2vvq n THR 151 N -4.48 0.00 -2.30 0.20 -2.24 -0.87 -5.01 114.28 99.58 2vvq n THR 151 Ca -0.01 -0.16 -0.15 0.00 -2.27 0.00 0.00 64.05 61.45 2vvq n THR 151 Cb 0.27 0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.67 -1.14 -3.39 4.78 8.25 0.29 -4.98 115.22 117.37 2vvq n HIS 152 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 2vvq n HIS 152 Cb 0.16 -3.13 -0.09 0.00 1.12 0.00 0.00 29.99 28.04 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 -4.80 3.32 0.10 -0.41 2.02 -1.26 -5.04 118.70 112.63 2vvq s GLU 153 Ca 0.00 -0.63 -0.35 0.00 0.02 0.00 0.00 54.97 54.01 2vvq s GLU 153 Cb 0.00 -3.88 -0.15 0.00 0.10 0.00 0.00 34.13 30.20 2vvq s GLU 153 CO 0.00 -0.66 1.54 0.00 0.02 0.00 0.00 175.26 176.16 2vvq n ALA 154 N 5.40 0.54 -1.63 5.21 0.00 -1.26 -4.73 120.51 124.04 2vvq n ALA 154 Ca -0.09 0.45 -0.33 0.00 0.00 0.00 0.00 53.44 53.47 2vvq n ALA 154 Cb 0.48 -2.27 0.02 0.00 0.00 0.00 0.00 19.45 17.68 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 1.15 3.18 0.33 0.00 0.04 -1.26 -4.99 135.00 133.45 2vvq s PRO 155 Ca 0.82 1.30 -0.28 0.00 0.04 0.00 0.00 61.00 62.89 2vvq s PRO 155 Cb -0.78 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 31.66 2vvq s PRO 155 CO 0.43 -0.94 1.22 -1.25 0.04 0.00 0.00 177.00 176.50 2vvq s PRO 156 N -3.98 4.37 0.33 0.56 0.04 -1.26 -5.03 135.00 130.03 2vvq s PRO 156 Ca 0.66 2.01 -0.24 0.00 0.04 0.00 0.00 61.00 63.47 2vvq s PRO 156 Cb -0.18 -3.01 -0.10 0.00 0.04 0.00 0.00 34.50 31.25 2vvq s PRO 156 CO 0.37 -0.11 0.90 0.14 0.04 0.00 0.00 177.00 178.35 2vvq s VAL 157 N -1.21 4.32 0.11 -0.36 -7.23 -1.26 -5.02 120.40 109.76 2vvq s VAL 157 Ca 0.49 1.64 -0.35 0.00 -1.81 0.00 0.00 61.98 61.96 2vvq s VAL 157 Cb -0.35 -3.89 -0.17 0.00 0.56 0.00 0.00 36.38 32.52 2vvq s VAL 157 CO 0.46 0.05 1.08 -2.65 -0.31 0.00 0.00 175.10 173.73 2vvq n PRO 158 N 0.31 0.66 0.00 4.82 -0.02 -1.26 -5.33 135.00 134.19 2vvq n PRO 158 Ca 0.02 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2vvq n PRO 158 Cb 0.51 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 2vvq n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89