#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vvp s GLY 3 N 0.00 1.42 0.00 0.46 0.00 -1.26 -4.97 107.32 102.97 2vvp s GLY 3 Ca 0.00 1.46 0.04 0.00 0.00 0.00 0.00 44.72 46.22 2vvp s GLY 3 CO 0.00 2.74 -0.10 1.06 0.00 0.00 0.00 173.10 176.80 2vvp s MET 4 N 1.20 2.45 0.04 2.90 1.00 -1.26 -4.94 119.30 120.69 2vvp s MET 4 Ca 0.72 -0.77 -0.30 0.00 0.00 0.00 0.00 55.69 55.34 2vvp s MET 4 Cb -0.46 -2.42 -0.04 0.00 0.00 0.00 0.00 34.83 31.91 2vvp s MET 4 CO 0.32 0.59 0.97 0.50 0.00 0.00 0.00 175.02 177.40 2vvp s ARG 5 N -1.34 4.61 -0.12 2.03 3.52 -1.26 -0.53 118.95 125.86 2vvp s ARG 5 Ca 0.16 1.43 -0.01 0.00 -0.13 0.00 0.00 55.73 57.18 2vvp s ARG 5 Cb -0.11 -3.43 0.03 0.00 -1.56 0.00 0.00 34.95 29.88 2vvp s ARG 5 CO 0.06 0.05 -0.05 0.08 -0.81 0.00 0.00 175.30 174.62 2vvp s VAL 6 N 0.64 0.93 -0.17 7.11 1.01 -0.37 -0.93 120.40 128.62 2vvp s VAL 6 Ca 0.50 -0.32 -0.22 0.00 0.00 0.00 0.00 61.98 61.95 2vvp s VAL 6 Cb -0.22 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 2vvp s VAL 6 CO 0.29 0.27 0.67 -0.31 0.00 0.00 0.00 175.10 176.01 2vvp s TYR 7 N 1.74 3.41 -0.04 5.22 1.51 0.12 0.02 117.35 129.33 2vvp s TYR 7 Ca 0.04 1.02 0.04 0.00 -1.01 0.00 0.00 57.07 57.16 2vvp s TYR 7 Cb -0.13 -2.83 -0.03 0.00 -0.11 0.00 0.00 41.96 38.87 2vvp s TYR 7 CO -0.08 -0.14 -0.16 -0.51 -1.11 0.00 0.00 175.55 173.56 2vvp s LEU 8 N 1.75 2.66 0.02 -1.29 1.02 0.11 -0.54 118.68 122.42 2vvp s LEU 8 Ca 0.31 -0.24 0.01 0.00 0.02 0.00 0.00 54.13 54.23 2vvp s LEU 8 Cb -0.16 -1.53 -0.02 0.00 0.02 0.00 0.00 46.19 44.50 2vvp s LEU 8 CO 0.12 0.34 -0.05 -0.83 0.02 0.00 0.00 176.35 175.94 2vvp s GLY 9 N -0.78 0.31 -0.14 -3.19 0.00 -0.60 -0.23 107.32 102.69 2vvp s GLY 9 Ca 0.12 -0.49 -0.29 0.00 0.00 0.00 0.00 44.72 44.06 2vvp s GLY 9 CO 0.01 -0.52 0.72 0.00 0.00 0.00 0.00 173.10 173.30 2vvp s ALA 10 N -0.94 -1.79 0.74 3.20 0.00 -0.02 -0.93 121.76 122.03 2vvp s ALA 10 Ca -0.08 1.60 -0.04 0.00 0.00 0.00 0.00 51.96 53.45 2vvp s ALA 10 Cb -0.07 -0.50 0.11 0.00 0.00 0.00 0.00 23.12 22.66 2vvp s ALA 10 CO -0.00 -0.35 0.68 -0.40 0.00 0.00 0.00 175.76 175.69 2vvp n ASP 11 N 1.58 0.57 -0.27 0.00 5.68 -1.09 -0.51 116.55 122.51 2vvp n ASP 11 Ca -0.17 -1.56 0.17 0.00 -0.50 0.00 0.00 54.79 52.73 2vvp n ASP 11 Cb 0.56 -0.48 0.46 0.00 -1.14 0.00 0.00 41.12 40.53 2vvp n ASP 11 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 2vvp h HIS 12 N -0.85 0.68 0.00 2.11 2.07 -1.84 -0.87 115.15 116.46 2vvp h HIS 12 Ca -0.22 0.02 -0.04 0.00 -2.85 0.00 0.00 60.37 57.28 2vvp h HIS 12 Cb 0.74 -0.21 -0.01 0.00 2.57 0.00 0.00 27.41 30.51 2vvp h HIS 12 CO 0.00 0.18 -0.19 0.00 -3.07 0.00 0.00 177.93 174.85 2vvp h ALA 13 N 1.61 1.02 -0.15 6.11 0.00 -1.91 -2.87 119.26 123.08 2vvp h ALA 13 Ca 0.49 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2vvp h ALA 13 Cb 1.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2vvp h ALA 13 CO -0.22 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2vvp n GLY 14 N 0.12 0.83 0.14 0.00 0.00 -0.55 -4.38 105.19 101.35 2vvp n GLY 14 Ca 0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 2vvp n GLY 14 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2vvp h TYR 15 N 2.76 -0.25 -0.67 1.61 3.20 -0.97 0.11 116.97 122.77 2vvp h TYR 15 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2vvp h TYR 15 Cb 0.66 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.98 2vvp h TYR 15 CO 0.09 0.01 0.42 0.93 -1.64 0.00 0.00 178.16 177.97 2vvp h GLU 16 N -0.49 0.90 -0.51 1.82 4.39 -1.87 -1.86 114.58 116.97 2vvp h GLU 16 Ca -0.03 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 2vvp h GLU 16 Cb 0.37 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2vvp h GLU 16 CO 0.05 0.62 0.13 1.25 -1.16 0.00 0.00 179.01 179.90 2vvp h LEU 17 N 0.91 0.77 -0.62 1.33 5.85 -1.85 -2.21 115.31 119.50 2vvp h LEU 17 Ca 0.24 -0.23 0.10 0.00 0.84 0.00 0.00 57.88 58.83 2vvp h LEU 17 Cb -0.06 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 40.69 2vvp h LEU 17 CO -0.05 0.80 0.22 0.50 -0.34 0.00 0.00 178.44 179.57 2vvp h LYS 18 N 0.71 0.38 -0.70 1.25 3.64 -0.39 0.35 116.57 121.80 2vvp h LYS 18 Ca 0.16 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 2vvp h LYS 18 Cb 0.33 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 2vvp h LYS 18 CO 0.00 0.25 0.26 1.96 -2.27 0.00 0.00 179.45 179.65 2vvp h GLN 19 N 0.39 1.05 -0.57 1.90 1.08 -0.96 0.61 115.11 118.61 2vvp h GLN 19 Ca 0.32 -0.19 -0.08 0.00 -1.45 0.00 0.00 58.65 57.24 2vvp h GLN 19 Cb 0.41 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 2vvp h GLN 19 CO -0.33 0.87 0.03 0.00 -0.95 0.00 0.00 178.83 178.46 2vvp h ARG 20 N 1.03 0.98 -0.53 1.46 3.08 -0.80 -2.50 114.38 117.10 2vvp h ARG 20 Ca 0.23 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 2vvp h ARG 20 Cb 0.23 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2vvp h ARG 20 CO -0.02 0.96 0.16 0.82 -1.07 0.00 0.00 179.97 180.83 2vvp h ILE 21 N 0.87 1.23 -0.32 2.04 2.04 -0.40 -0.88 117.51 122.09 2vvp h ILE 21 Ca 0.16 -0.79 0.06 0.00 1.00 0.00 0.00 64.86 65.30 2vvp h ILE 21 Cb 0.50 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 2vvp h ILE 21 CO 0.02 0.29 -0.03 0.40 0.00 0.00 0.00 178.15 178.84 2vvp h ILE 22 N 0.73 0.74 -0.50 -0.67 2.04 -0.77 0.31 117.51 119.39 2vvp h ILE 22 Ca 0.17 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.98 2vvp h ILE 22 Cb 0.28 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2vvp h ILE 22 CO -0.01 0.01 0.19 -0.08 0.00 0.00 0.00 178.15 178.27 2vvp h GLU 23 N 0.06 0.75 -0.41 2.37 4.57 -1.31 -1.68 114.58 118.94 2vvp h GLU 23 Ca 0.15 -0.14 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2vvp h GLU 23 Cb 0.22 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 2vvp h GLU 23 CO -0.28 0.68 0.24 1.25 -1.18 0.00 0.00 179.01 179.72 2vvp h HIS 24 N 0.67 0.45 -0.63 0.92 2.76 -0.53 -1.01 115.15 117.78 2vvp h HIS 24 Ca 0.17 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 2vvp h HIS 24 Cb 0.21 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 2vvp h HIS 24 CO 0.01 0.27 0.37 -0.07 -1.30 0.00 0.00 177.93 177.21 2vvp h LEU 25 N 0.49 0.77 -0.36 0.26 3.38 -0.17 -1.23 115.31 118.44 2vvp h LEU 25 Ca 0.16 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2vvp h LEU 25 Cb 0.00 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2vvp h LEU 25 CO -0.07 0.61 0.16 0.11 0.09 0.00 0.00 178.44 179.34 2vvp h LYS 26 N 0.86 0.32 0.00 1.13 1.57 -1.05 -0.31 116.57 119.10 2vvp h LYS 26 Ca 0.23 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 2vvp h LYS 26 Cb -0.01 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2vvp h LYS 26 CO -0.04 0.21 -0.13 1.96 -0.57 0.00 0.00 179.45 180.88 2vvp h GLN 27 N 0.33 0.00 -0.58 3.15 4.20 -0.74 -2.63 115.11 118.84 2vvp h GLN 27 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2vvp h GLN 27 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2vvp h GLN 27 CO -0.13 0.13 0.00 0.25 -0.67 0.00 0.00 178.83 178.41 2vvp n THR 28 N -3.94 1.75 -0.52 -0.54 -2.24 -0.51 -4.95 114.28 103.33 2vvp n THR 28 Ca -0.02 -1.24 0.00 0.00 -2.27 0.00 0.00 64.05 60.52 2vvp n THR 28 Cb 0.22 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 2vvp n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vvp n GLY 29 N 0.92 0.73 4.01 3.38 0.00 -0.99 -4.97 105.19 108.26 2vvp n GLY 29 Ca 0.24 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 2vvp n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2vvp s HIS 30 N -2.00 2.27 -0.61 1.61 3.76 -0.16 -4.48 115.29 115.69 2vvp s HIS 30 Ca 0.00 -0.53 0.04 0.00 -0.15 0.00 0.00 55.06 54.42 2vvp s HIS 30 Cb 0.00 -2.30 0.15 0.00 1.11 0.00 0.00 32.58 31.54 2vvp s HIS 30 CO 0.00 -0.67 0.38 -2.00 -0.85 0.00 0.00 174.74 171.59 2vvp s GLU 31 N -4.45 2.23 0.25 1.40 2.12 0.31 -4.14 118.70 116.42 2vvp s GLU 31 Ca 0.57 -2.96 -0.30 0.00 0.36 0.00 0.00 54.97 52.65 2vvp s GLU 31 Cb -0.08 -3.39 -0.09 0.00 0.26 0.00 0.00 34.13 30.83 2vvp s GLU 31 CO 0.35 -1.19 1.12 -1.25 -0.54 0.00 0.00 175.26 173.74 2vvp s PRO 32 N -0.82 4.61 -0.15 4.30 0.04 -1.26 -1.24 135.00 140.48 2vvp s PRO 32 Ca 0.21 1.81 0.01 0.00 0.04 0.00 0.00 61.00 63.06 2vvp s PRO 32 Cb -0.16 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.19 2vvp s PRO 32 CO -0.08 0.14 -0.15 0.42 0.04 0.00 0.00 177.00 177.37 2vvp s ILE 33 N -0.85 1.63 -0.35 0.56 1.01 0.10 -4.91 121.20 118.38 2vvp s ILE 33 Ca 0.46 -0.67 -0.22 0.00 0.00 0.00 0.00 60.65 60.22 2vvp s ILE 33 Cb -0.32 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.64 2vvp s ILE 33 CO 0.40 0.47 0.70 -0.62 0.00 0.00 0.00 174.94 175.89 2vvp s ASP 34 N 1.40 6.49 0.00 3.58 3.68 -1.26 -0.71 116.67 129.85 2vvp s ASP 34 Ca 0.03 0.27 0.28 0.00 2.13 0.00 0.00 52.55 55.26 2vvp s ASP 34 Cb -0.13 -2.36 1.01 0.00 -1.45 0.00 0.00 42.92 39.99 2vvp s ASP 34 CO -0.10 -0.64 1.72 0.00 0.13 0.00 0.00 175.17 176.28 2vvp n GLY 36 N 1.18 2.29 3.77 0.00 0.00 -1.26 -4.89 105.19 106.30 2vvp n GLY 36 Ca 0.19 -1.94 -0.37 0.00 0.00 0.00 0.00 46.02 43.90 2vvp n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vvp s ALA 37 N -2.78 2.95 -1.58 4.61 0.00 0.33 -0.84 121.76 124.47 2vvp s ALA 37 Ca 0.00 0.87 0.25 0.00 0.00 0.00 0.00 51.96 53.08 2vvp s ALA 37 Cb 0.00 -3.36 0.45 0.00 0.00 0.00 0.00 23.12 20.22 2vvp s ALA 37 CO 0.00 -0.58 1.37 1.28 0.00 0.00 0.00 175.76 177.83 2vvp n LEU 38 N -0.54 1.11 -3.89 0.00 4.77 -1.26 -4.91 117.00 112.29 2vvp n LEU 38 Ca 0.07 -0.33 -0.09 0.00 -0.03 0.00 0.00 56.01 55.63 2vvp n LEU 38 Cb 0.49 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.42 2vvp n LEU 38 CO 0.46 0.22 0.20 0.00 -1.33 0.00 0.00 177.39 176.94 2vvp s ARG 39 N -2.65 1.43 -0.18 3.23 1.70 -1.26 -5.12 118.95 116.09 2vvp s ARG 39 Ca 0.19 -1.08 -0.29 0.00 -0.47 0.00 0.00 55.73 54.08 2vvp s ARG 39 Cb 0.18 0.48 -0.01 0.00 -0.57 0.00 0.00 34.95 35.03 2vvp s ARG 39 CO 0.60 -0.59 1.29 -0.47 -1.08 0.00 0.00 175.30 175.05 2vvp s TYR 40 N -3.95 2.78 -0.28 5.89 5.04 -1.26 -4.90 117.35 120.68 2vvp s TYR 40 Ca 0.16 0.95 -0.01 0.00 -2.44 0.00 0.00 57.07 55.73 2vvp s TYR 40 Cb -0.00 -3.59 0.09 0.00 0.35 0.00 0.00 41.96 38.81 2vvp s TYR 40 CO 0.03 -1.79 0.07 0.34 -1.34 0.00 0.00 175.55 172.86 2vvp s ASP 41 N 2.18 3.77 0.63 4.32 -1.08 -1.26 -5.03 116.67 120.20 2vvp s ASP 41 Ca 0.56 -1.42 0.27 0.00 -0.52 0.00 0.00 52.55 51.44 2vvp s ASP 41 Cb -0.21 -0.82 1.43 0.00 -1.46 0.00 0.00 42.92 41.86 2vvp s ASP 41 CO 0.17 -0.38 1.82 0.00 0.52 0.00 0.00 175.17 177.30 2vvp h ALA 42 N 8.12 1.78 -0.03 3.66 0.00 -1.95 -0.92 119.26 129.91 2vvp h ALA 42 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2vvp h ALA 42 Cb 1.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2vvp h ALA 42 CO 0.44 -0.58 -0.01 -0.25 0.00 0.00 0.00 179.25 178.84 2vvp n ASP 43 N -3.20 2.86 -4.79 0.00 8.00 -1.26 -4.94 116.55 113.21 2vvp n ASP 43 Ca 0.03 -1.93 -0.30 0.00 0.71 0.00 0.00 54.79 53.31 2vvp n ASP 43 Cb 0.58 0.01 0.11 0.00 -0.02 0.00 0.00 41.12 41.80 2vvp n ASP 43 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2vvp s ASP 44 N -1.90 4.10 -0.21 -2.24 1.47 -0.35 -5.02 116.67 112.52 2vvp s ASP 44 Ca 0.26 1.24 -0.02 0.00 1.18 0.00 0.00 52.55 55.22 2vvp s ASP 44 Cb 0.19 -1.93 0.01 0.00 -0.34 0.00 0.00 42.92 40.84 2vvp s ASP 44 CO 0.29 -2.21 -0.11 -1.81 0.68 0.00 0.00 175.17 172.01 2vvp s ASP 45 N -3.87 3.82 0.40 2.11 1.01 -1.26 -4.69 116.67 114.19 2vvp s ASP 45 Ca 0.62 -0.54 0.07 0.00 0.71 0.00 0.00 52.55 53.40 2vvp s ASP 45 Cb -0.15 -1.63 0.82 0.00 1.01 0.00 0.00 42.92 42.97 2vvp s ASP 45 CO 0.54 -0.02 2.03 0.10 0.21 0.00 0.00 175.17 178.04 2vvp h TYR 46 N 8.03 0.59 -0.57 4.23 -0.00 -1.95 -3.34 116.97 123.97 2vvp h TYR 46 Ca -0.43 0.01 0.09 0.00 0.00 0.00 0.00 58.73 58.41 2vvp h TYR 46 Cb 1.15 -0.20 -0.07 0.00 0.00 0.00 0.00 36.73 37.61 2vvp h TYR 46 CO 0.54 0.36 0.17 -1.35 -0.00 0.00 0.00 178.16 177.87 2vvp h PRO 47 N 0.62 0.31 -0.72 0.10 0.11 -1.96 -2.27 132.00 128.20 2vvp h PRO 47 Ca 0.19 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.36 2vvp h PRO 47 Cb 0.01 -0.07 -0.07 0.00 0.11 0.00 0.00 31.00 30.98 2vvp h PRO 47 CO -0.05 0.21 0.39 0.00 -0.21 0.00 0.00 178.00 178.34 2vvp h ALA 48 N 1.42 0.99 -0.48 -0.75 0.00 -2.00 0.81 119.26 119.24 2vvp h ALA 48 Ca 0.29 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 2vvp h ALA 48 Cb 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2vvp h ALA 48 CO -0.33 0.02 -0.17 0.74 0.00 0.00 0.00 179.25 179.52 2vvp h PHE 49 N 0.68 1.07 -0.12 0.00 -1.00 -1.65 -1.12 116.94 114.79 2vvp h PHE 49 Ca 0.34 -0.24 -0.16 0.00 2.81 0.00 0.00 57.97 60.73 2vvp h PHE 49 Cb 0.29 -0.26 0.01 0.00 3.61 0.00 0.00 35.95 39.60 2vvp h PHE 49 CO -0.09 1.03 -0.53 0.00 -1.61 0.00 0.00 178.31 177.11 2vvp h ILE 51 N 0.19 1.23 0.20 0.00 2.04 -0.85 -0.54 117.51 119.78 2vvp h ILE 51 Ca -0.03 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2vvp h ILE 51 Cb 1.17 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2vvp h ILE 51 CO 0.11 0.27 -0.17 0.00 0.00 0.00 0.00 178.15 178.36 2vvp h ALA 52 N 1.13 -0.36 -0.58 1.87 0.00 -1.15 0.11 119.26 120.27 2vvp h ALA 52 Ca 0.22 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2vvp h ALA 52 Cb 0.15 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2vvp h ALA 52 CO -0.03 -0.72 0.34 0.00 0.00 0.00 0.00 179.25 178.85 2vvp h ALA 53 N 0.38 0.75 -0.45 0.00 0.00 -1.19 -0.84 119.26 117.91 2vvp h ALA 53 Ca -0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2vvp h ALA 53 Cb 0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2vvp h ALA 53 CO -0.03 0.06 -0.08 0.00 0.00 0.00 0.00 179.25 179.20 2vvp h ALA 54 N 1.27 0.62 -0.44 0.00 0.00 -0.88 -1.41 119.26 118.41 2vvp h ALA 54 Ca 0.24 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2vvp h ALA 54 Cb 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2vvp h ALA 54 CO -0.11 0.49 0.02 1.15 0.00 0.00 0.00 179.25 180.80 2vvp h THR 55 N 0.69 1.26 -0.21 0.00 2.02 -0.48 -1.25 112.91 114.94 2vvp h THR 55 Ca 0.12 -0.99 -0.13 0.00 0.77 0.00 0.00 66.41 66.17 2vvp h THR 55 Cb 0.61 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 2vvp h THR 55 CO 0.04 0.34 -0.43 0.03 0.37 0.00 0.00 175.52 175.87 2vvp h ARG 56 N 0.61 0.50 -0.16 6.66 3.08 -1.08 -2.04 114.38 121.95 2vvp h ARG 56 Ca 0.13 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 2vvp h ARG 56 Cb 0.46 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2vvp h ARG 56 CO 0.02 0.84 0.06 1.15 -1.07 0.00 0.00 179.97 180.97 2vvp h THR 57 N 0.41 1.17 -0.59 2.04 2.02 -0.97 -2.63 112.91 114.36 2vvp h THR 57 Ca 0.03 -0.51 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 2vvp h THR 57 Cb 0.92 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 2vvp h THR 57 CO 0.08 0.16 0.21 0.58 0.37 0.00 0.00 175.52 176.92 2vvp h VAL 58 N 0.09 1.22 0.00 3.16 2.07 -1.12 -2.31 116.25 119.36 2vvp h VAL 58 Ca 0.05 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2vvp h VAL 58 Cb 0.19 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2vvp h VAL 58 CO -0.00 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.86 2vvp n ALA 59 N -2.45 2.20 -3.45 1.67 0.00 -0.78 -4.08 120.51 113.61 2vvp n ALA 59 Ca 0.05 -0.11 -0.26 0.00 0.00 0.00 0.00 53.44 53.12 2vvp n ALA 59 Cb 0.18 -1.40 -0.09 0.00 0.00 0.00 0.00 19.45 18.15 2vvp n ALA 59 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2vvp n ASP 60 N -1.34 1.94 -4.67 0.00 2.03 -0.87 -5.08 116.55 108.56 2vvp n ASP 60 Ca 0.10 -3.02 -0.44 0.00 0.52 0.00 0.00 54.79 51.95 2vvp n ASP 60 Cb 0.22 -0.66 -0.02 0.00 -0.72 0.00 0.00 41.12 39.94 2vvp n ASP 60 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2vvp n PRO 61 N 1.55 1.96 0.00 -0.67 -0.02 -1.26 -1.35 135.00 135.22 2vvp n PRO 61 Ca 0.25 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 2vvp n PRO 61 Cb 0.44 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2vvp n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vvp n GLY 62 N 1.44 2.13 3.86 -1.23 0.00 -1.26 -5.06 105.19 105.07 2vvp n GLY 62 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2vvp n GLY 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vvp s SER 63 N -1.59 5.25 0.36 1.61 1.04 -0.45 -4.69 113.70 115.23 2vvp s SER 63 Ca 0.00 1.24 0.08 0.00 0.48 0.00 0.00 55.95 57.75 2vvp s SER 63 Cb 0.00 -2.05 -0.07 0.00 0.10 0.00 0.00 66.02 64.00 2vvp s SER 63 CO 0.00 -1.48 -0.03 -0.76 0.98 0.00 0.00 173.24 171.95 2vvp s LEU 64 N -5.47 2.72 0.03 2.42 1.43 -0.11 -4.92 118.68 114.79 2vvp s LEU 64 Ca 0.59 -1.29 -0.01 0.00 -1.03 0.00 0.00 54.13 52.38 2vvp s LEU 64 Cb -0.12 -0.86 -0.02 0.00 0.03 0.00 0.00 46.19 45.21 2vvp s LEU 64 CO 0.53 -0.36 -0.01 -0.83 0.23 0.00 0.00 176.35 175.91 2vvp s GLY 65 N -3.63 0.28 -0.05 -3.19 0.00 0.64 -0.70 107.32 100.67 2vvp s GLY 65 Ca 0.34 -0.71 0.01 0.00 0.00 0.00 0.00 44.72 44.35 2vvp s GLY 65 CO 0.17 -0.80 -0.03 -0.42 0.00 0.00 0.00 173.10 172.01 2vvp s ILE 66 N -2.18 0.48 -0.08 0.90 1.01 0.30 -2.02 121.20 119.62 2vvp s ILE 66 Ca -0.09 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.52 2vvp s ILE 66 Cb -0.05 -0.54 -0.02 0.00 0.01 0.00 0.00 42.46 41.87 2vvp s ILE 66 CO -0.03 0.23 -0.16 0.68 0.00 0.00 0.00 174.94 175.66 2vvp s VAL 67 N 1.12 2.90 0.03 2.92 -7.23 -0.06 -1.55 120.40 118.53 2vvp s VAL 67 Ca -0.08 -0.76 0.05 0.00 -1.81 0.00 0.00 61.98 59.38 2vvp s VAL 67 Cb -0.14 -2.15 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 2vvp s VAL 67 CO -0.01 0.57 -0.14 -0.76 -0.31 0.00 0.00 175.10 174.44 2vvp s LEU 68 N -0.30 2.16 0.00 1.32 1.02 -0.10 -1.13 118.68 121.64 2vvp s LEU 68 Ca 0.02 -0.44 0.00 0.00 0.02 0.00 0.00 54.13 53.73 2vvp s LEU 68 Cb -0.13 -0.63 0.00 0.00 0.02 0.00 0.00 46.19 45.45 2vvp s LEU 68 CO 0.03 0.05 0.00 0.61 0.02 0.00 0.00 176.35 177.06 2vvp n GLY 69 N 1.98 3.16 0.22 -3.19 0.00 -1.14 -2.68 105.19 103.54 2vvp n GLY 69 Ca -0.18 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 2vvp n GLY 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2vvp h GLY 70 N 0.00 -0.51 0.00 -0.02 0.00 -1.87 0.34 103.07 101.01 2vvp h GLY 70 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2vvp h GLY 70 CO 0.00 -0.19 -1.68 -1.14 0.00 0.00 0.00 176.54 173.54 2vvp n SER 71 N -5.27 1.61 0.00 0.19 3.41 -1.26 -1.58 113.62 110.72 2vvp n SER 71 Ca -0.11 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 2vvp n SER 71 Cb 0.23 1.68 0.00 0.00 -0.26 0.00 0.00 64.21 65.86 2vvp n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2vvp n GLY 72 N 1.66 2.31 0.07 5.00 0.00 -1.25 -3.28 105.19 109.70 2vvp n GLY 72 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 2vvp n GLY 72 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2vvp h ASN 73 N 0.00 -0.01 -0.72 1.61 2.35 -1.94 -0.88 115.58 115.98 2vvp h ASN 73 Ca 0.00 -0.72 0.15 0.00 -0.55 0.00 0.00 56.30 55.18 2vvp h ASN 73 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.33 2vvp h ASN 73 CO 0.00 0.84 0.49 1.23 -1.65 0.00 0.00 177.43 178.33 2vvp h GLY 74 N -0.98 0.61 0.69 2.83 0.00 -1.99 -0.72 103.07 103.51 2vvp h GLY 74 Ca -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 2vvp h GLY 74 CO 0.00 0.06 -0.03 0.83 0.00 0.00 0.00 176.54 177.40 2vvp h GLU 75 N 0.37 0.16 -0.24 4.80 3.07 -1.93 -1.04 114.58 119.76 2vvp h GLU 75 Ca 0.35 -0.07 -0.11 0.00 -0.50 0.00 0.00 59.36 59.04 2vvp h GLU 75 Cb 0.85 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.74 2vvp h GLU 75 CO -0.10 0.50 -0.32 -0.56 -1.40 0.00 0.00 179.01 177.13 2vvp h GLN 76 N -0.18 0.51 -0.27 2.33 -0.00 -0.95 -1.30 115.11 115.25 2vvp h GLN 76 Ca 0.02 -0.22 0.03 0.00 -0.00 0.00 0.00 58.65 58.48 2vvp h GLN 76 Cb 0.44 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.48 27.88 2vvp h GLN 76 CO 0.01 0.77 0.07 0.82 -0.00 0.00 0.00 178.83 180.50 2vvp h ILE 77 N 0.44 0.91 0.07 1.86 2.04 -0.96 0.87 117.51 122.73 2vvp h ILE 77 Ca 0.05 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2vvp h ILE 77 Cb 0.77 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 2vvp h ILE 77 CO 0.06 0.03 -0.07 0.00 0.00 0.00 0.00 178.15 178.18 2vvp h ALA 78 N 1.18 -0.13 -0.71 1.87 0.00 -1.01 -2.48 119.26 117.98 2vvp h ALA 78 Ca 0.12 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.12 2vvp h ALA 78 Cb 0.10 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 2vvp h ALA 78 CO -0.14 -0.58 0.32 0.00 0.00 0.00 0.00 179.25 178.85 2vvp h ALA 79 N 0.78 0.99 0.00 0.00 0.00 -0.98 -1.87 119.26 118.18 2vvp h ALA 79 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2vvp h ALA 79 Cb 0.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2vvp h ALA 79 CO -0.02 -0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.21 2vvp n ASN 80 N -4.92 0.37 0.18 0.00 3.02 0.28 -1.71 115.26 112.48 2vvp n ASN 80 Ca 0.12 0.60 0.13 0.00 -0.03 0.00 0.00 54.58 55.40 2vvp n ASN 80 Cb 0.32 -0.67 0.38 0.00 -0.61 0.00 0.00 39.78 39.20 2vvp n ASN 80 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2vvp h LYS 81 N 0.00 0.00 -6.35 3.52 1.79 -1.04 -3.45 116.57 111.04 2vvp h LYS 81 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 2vvp h LYS 81 Cb 0.29 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 2vvp h LYS 81 CO 0.00 0.00 0.75 0.08 -1.08 0.00 0.00 179.45 179.20 2vvp s VAL 82 N -3.27 3.97 -0.03 0.50 1.01 -0.69 -4.94 120.40 116.95 2vvp s VAL 82 Ca 0.07 1.34 -0.37 0.00 0.00 0.00 0.00 61.98 63.01 2vvp s VAL 82 Cb 0.09 -3.86 -0.15 0.00 0.00 0.00 0.00 36.38 32.45 2vvp s VAL 82 CO 0.58 0.01 1.55 -2.65 0.00 0.00 0.00 175.10 174.59 2vvp n PRO 83 N 5.19 1.39 -0.21 2.72 -0.02 -1.26 -1.31 135.00 141.50 2vvp n PRO 83 Ca 0.12 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2vvp n PRO 83 Cb 0.45 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2vvp n PRO 83 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vvp n GLY 84 N 3.33 1.87 3.78 -1.23 0.00 -1.26 -4.97 105.19 106.71 2vvp n GLY 84 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 2vvp n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vvp s ALA 85 N -2.96 3.34 -0.22 4.61 0.00 -0.42 -4.98 121.76 121.14 2vvp s ALA 85 Ca 0.00 0.42 -0.01 0.00 0.00 0.00 0.00 51.96 52.37 2vvp s ALA 85 Cb 0.00 -3.05 0.06 0.00 0.00 0.00 0.00 23.12 20.13 2vvp s ALA 85 CO 0.00 0.25 -0.01 1.03 0.00 0.00 0.00 175.76 177.02 2vvp s ARG 86 N -1.63 1.20 -0.27 0.00 0.52 -1.26 -4.81 118.95 112.69 2vvp s ARG 86 Ca 0.43 -0.75 0.03 0.00 -0.52 0.00 0.00 55.73 54.92 2vvp s ARG 86 Cb -0.21 -2.38 0.07 0.00 0.52 0.00 0.00 34.95 32.94 2vvp s ARG 86 CO 0.25 -0.62 -0.08 0.00 0.02 0.00 0.00 175.30 174.88 2vvp s ALA 88 N 1.08 3.07 -0.32 0.00 0.00 -0.72 -4.84 121.76 120.03 2vvp s ALA 88 Ca -0.06 -0.05 -0.15 0.00 0.00 0.00 0.00 51.96 51.70 2vvp s ALA 88 Cb -0.20 -3.09 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 2vvp s ALA 88 CO -0.05 -0.67 0.39 -1.17 0.00 0.00 0.00 175.76 174.25 2vvp s LEU 89 N -5.09 4.27 -0.36 0.00 2.96 -1.26 -0.35 118.68 118.85 2vvp s LEU 89 Ca 0.56 -0.01 -0.14 0.00 -0.22 0.00 0.00 54.13 54.31 2vvp s LEU 89 Cb -0.11 -2.41 -0.01 0.00 0.50 0.00 0.00 46.19 44.17 2vvp s LEU 89 CO 0.52 -0.30 0.30 0.00 -1.32 0.00 0.00 176.35 175.55 2vvp s ALA 90 N 2.09 3.49 0.00 5.97 0.00 -0.33 -4.85 121.76 128.14 2vvp s ALA 90 Ca 0.14 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.72 2vvp s ALA 90 Cb -0.16 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.18 2vvp s ALA 90 CO 0.11 -1.12 0.73 -2.67 0.00 0.00 0.00 175.76 172.82 2vvp n TRP 91 N 5.24 0.00 -3.68 0.00 4.27 -1.26 -4.58 117.44 117.43 2vvp n TRP 91 Ca -0.11 -0.24 -0.09 0.00 -3.89 0.00 0.00 57.50 53.17 2vvp n TRP 91 Cb 0.49 -0.02 -0.02 0.00 -1.36 0.00 0.00 31.31 30.40 2vvp n TRP 91 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 2vvp s SER 92 N -0.49 -0.37 0.21 -0.67 1.04 -1.26 -5.01 113.70 107.15 2vvp s SER 92 Ca 0.00 -0.35 -0.10 0.00 0.48 0.00 0.00 55.95 55.98 2vvp s SER 92 Cb 0.00 0.65 0.16 0.00 0.10 0.00 0.00 66.02 66.93 2vvp s SER 92 CO 0.00 -1.15 1.88 0.58 0.98 0.00 0.00 173.24 175.53 2vvp h VAL 93 N 2.00 1.20 -0.25 5.02 2.07 -1.91 -1.19 116.25 123.20 2vvp h VAL 93 Ca -0.25 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 2vvp h VAL 93 Cb 1.27 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2vvp h VAL 93 CO 0.29 0.20 0.15 -0.61 0.02 0.00 0.00 177.57 177.61 2vvp h GLN 94 N 1.06 0.33 -0.05 1.57 4.15 -1.97 -0.82 115.11 119.38 2vvp h GLN 94 Ca 0.28 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.53 2vvp h GLN 94 Cb -0.11 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 2vvp h GLN 94 CO -0.06 0.27 -0.60 1.79 -1.93 0.00 0.00 178.83 178.30 2vvp h THR 95 N 0.30 1.40 -0.32 2.39 1.35 -1.90 -0.14 112.91 115.99 2vvp h THR 95 Ca 0.09 -2.00 -0.01 0.00 -0.55 0.00 0.00 66.41 63.94 2vvp h THR 95 Cb 0.02 2.03 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 2vvp h THR 95 CO -0.02 0.59 0.17 0.00 -0.25 0.00 0.00 175.52 176.01 2vvp h ALA 96 N 1.25 0.41 -0.13 6.62 0.00 -0.95 -1.50 119.26 124.96 2vvp h ALA 96 Ca -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2vvp h ALA 96 Cb 1.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2vvp h ALA 96 CO 0.09 -0.06 0.08 0.00 0.00 0.00 0.00 179.25 179.36 2vvp h ALA 97 N 1.04 0.17 -0.12 0.00 0.00 -0.98 -2.95 119.26 116.43 2vvp h ALA 97 Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2vvp h ALA 97 Cb 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2vvp h ALA 97 CO -0.02 -0.32 -0.11 -0.07 0.00 0.00 0.00 179.25 178.73 2vvp h LEU 98 N 0.15 0.17 -0.66 0.00 3.38 -0.96 -0.54 115.31 116.84 2vvp h LEU 98 Ca 0.05 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.07 2vvp h LEU 98 Cb 0.03 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 2vvp h LEU 98 CO -0.01 0.31 0.32 0.00 0.09 0.00 0.00 178.44 179.15 2vvp h ALA 99 N 1.71 0.88 0.10 1.53 0.00 -1.10 0.13 119.26 122.52 2vvp h ALA 99 Ca 0.04 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2vvp h ALA 99 Cb 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2vvp h ALA 99 CO 0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 179.25 179.15 2vvp h ARG 100 N 0.56 -0.13 -0.00 0.00 2.47 -1.36 -0.35 114.38 115.57 2vvp h ARG 100 Ca 0.32 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 59.06 2vvp h ARG 100 Cb 0.31 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.64 2vvp h ARG 100 CO -0.25 0.38 -0.07 1.49 0.56 0.00 0.00 179.97 182.09 2vvp h GLU 101 N -0.82 -0.12 0.05 0.04 4.81 -0.88 -2.33 114.58 115.33 2vvp h GLU 101 Ca -0.01 0.01 -0.36 0.00 -0.13 0.00 0.00 59.36 58.87 2vvp h GLU 101 Cb 0.57 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 2vvp h GLU 101 CO 0.02 -0.08 -2.02 0.72 -0.73 0.00 0.00 179.01 176.93 2vvp n HIS 102 N -5.19 0.72 1.03 0.92 8.25 0.43 -2.63 115.22 118.76 2vvp n HIS 102 Ca -0.06 0.21 0.11 0.00 -0.26 0.00 0.00 57.72 57.72 2vvp n HIS 102 Cb 0.12 -1.09 0.08 0.00 1.12 0.00 0.00 29.99 30.22 2vvp n HIS 102 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2vvp n ASN 103 N -3.79 0.97 -4.28 0.41 5.03 -1.00 -4.82 115.26 107.79 2vvp n ASN 103 Ca -0.39 -0.80 -0.37 0.00 0.87 0.00 0.00 54.58 53.89 2vvp n ASN 103 Cb 0.92 0.57 -0.03 0.00 -1.02 0.00 0.00 39.78 40.21 2vvp n ASN 103 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2vvp n ASN 104 N -1.20 -3.05 -4.71 6.41 5.15 -0.79 -4.85 115.26 112.22 2vvp n ASN 104 Ca 0.06 -1.05 -0.42 0.00 -0.60 0.00 0.00 54.58 52.57 2vvp n ASN 104 Cb 0.35 -2.57 -0.03 0.00 -0.53 0.00 0.00 39.78 37.00 2vvp n ASN 104 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2vvp s ALA 105 N -3.29 3.62 -0.54 5.20 0.00 -0.21 -4.88 121.76 121.66 2vvp s ALA 105 Ca 0.75 1.14 0.24 0.00 0.00 0.00 0.00 51.96 54.09 2vvp s ALA 105 Cb -0.41 -3.56 0.40 0.00 0.00 0.00 0.00 23.12 19.55 2vvp s ALA 105 CO 0.94 -0.68 1.45 1.96 0.00 0.00 0.00 175.76 179.44 2vvp h GLN 106 N 6.94 0.00 -5.30 0.00 7.50 -1.76 -3.42 115.11 119.07 2vvp h GLN 106 Ca -0.42 0.00 -0.39 0.00 0.50 0.00 0.00 58.65 58.34 2vvp h GLN 106 Cb 1.21 0.00 -0.19 0.00 0.05 0.00 0.00 27.48 28.55 2vvp h GLN 106 CO 0.88 0.00 -0.76 -0.51 -1.50 0.00 0.00 178.83 176.94 2vvp s LEU 107 N -4.96 2.37 0.06 1.46 1.02 -0.99 -0.26 118.68 117.38 2vvp s LEU 107 Ca 0.06 -0.76 0.06 0.00 0.02 0.00 0.00 54.13 53.51 2vvp s LEU 107 Cb 0.10 -0.49 -0.03 0.00 0.02 0.00 0.00 46.19 45.80 2vvp s LEU 107 CO 0.69 -0.15 -0.16 0.27 0.02 0.00 0.00 176.35 177.02 2vvp s ILE 108 N -2.00 1.25 0.05 -0.59 -4.36 -0.86 -1.76 121.20 112.93 2vvp s ILE 108 Ca 0.05 -1.16 -0.11 0.00 -0.26 0.00 0.00 60.65 59.17 2vvp s ILE 108 Cb -0.06 -1.14 -0.06 0.00 1.25 0.00 0.00 42.46 42.46 2vvp s ILE 108 CO 0.02 -0.04 0.39 -0.83 0.24 0.00 0.00 174.94 174.73 2vvp s GLY 109 N -1.39 2.37 -0.03 6.27 0.00 0.52 -0.89 107.32 114.18 2vvp s GLY 109 Ca 0.02 -0.34 0.03 0.00 0.00 0.00 0.00 44.72 44.42 2vvp s GLY 109 CO 0.02 -0.08 -0.11 -0.42 0.00 0.00 0.00 173.10 172.51 2vvp s ILE 110 N -1.30 0.91 -0.41 0.90 1.01 -0.29 -1.19 121.20 120.84 2vvp s ILE 110 Ca 0.30 -0.43 -0.23 0.00 0.00 0.00 0.00 60.65 60.28 2vvp s ILE 110 Cb -0.15 -0.80 0.02 0.00 0.01 0.00 0.00 42.46 41.54 2vvp s ILE 110 CO 0.16 0.28 0.79 -0.83 0.00 0.00 0.00 174.94 175.34 2vvp s GLY 111 N 0.13 1.62 0.62 6.18 0.00 -1.20 -2.88 107.32 111.79 2vvp s GLY 111 Ca -0.03 -0.84 0.40 0.00 0.00 0.00 0.00 44.72 44.26 2vvp s GLY 111 CO 0.01 1.78 2.24 -1.33 0.00 0.00 0.00 173.10 175.79 2vvp h GLY 112 N 9.98 0.00 -0.80 0.20 0.00 -0.08 -2.45 103.07 109.91 2vvp h GLY 112 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2vvp h GLY 112 CO 0.94 0.00 -0.06 0.54 0.00 0.00 0.00 176.54 177.96 2vvp n ARG 113 N -3.13 1.71 -0.00 4.80 1.74 -0.61 -4.40 116.66 116.77 2vvp n ARG 113 Ca -0.02 -1.17 0.08 0.00 -0.77 0.00 0.00 57.85 55.97 2vvp n ARG 113 Cb 0.15 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.03 2vvp n ARG 113 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2vvp n MET 114 N 0.37 1.66 -3.98 5.56 2.81 -0.92 -5.03 117.12 117.59 2vvp n MET 114 Ca 0.16 -0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.96 2vvp n MET 114 Cb 0.43 -1.26 -0.10 0.00 -0.71 0.00 0.00 33.22 31.58 2vvp n MET 114 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 2vvp s HIS 115 N -2.53 0.31 0.81 2.03 3.76 -1.25 -5.08 115.29 113.33 2vvp s HIS 115 Ca 0.06 -0.70 -0.11 0.00 -0.15 0.00 0.00 55.06 54.16 2vvp s HIS 115 Cb 0.12 -0.22 0.08 0.00 1.11 0.00 0.00 32.58 33.66 2vvp s HIS 115 CO 0.66 -0.35 1.09 0.95 -0.85 0.00 0.00 174.74 176.23 2vvp s THR 116 N -2.93 3.14 0.15 1.30 -4.23 -1.26 -4.85 115.64 106.96 2vvp s THR 116 Ca -0.02 0.37 -0.17 0.00 -1.18 0.00 0.00 61.69 60.69 2vvp s THR 116 Cb 0.01 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.88 2vvp s THR 116 CO -0.06 -0.48 1.81 0.58 -0.54 0.00 0.00 174.62 175.92 2vvp h VAL 117 N -1.19 1.10 -0.72 2.29 2.07 -1.99 -0.24 116.25 117.56 2vvp h VAL 117 Ca -0.46 -0.17 0.10 0.00 0.82 0.00 0.00 66.70 66.98 2vvp h VAL 117 Cb 1.26 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.50 2vvp h VAL 117 CO 0.55 0.09 0.35 0.00 0.02 0.00 0.00 177.57 178.59 2vvp h ALA 118 N 1.14 1.00 -0.57 1.67 0.00 -1.99 0.64 119.26 121.15 2vvp h ALA 118 Ca 0.14 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2vvp h ALA 118 Cb -0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2vvp h ALA 118 CO -0.03 -0.06 0.22 0.93 0.00 0.00 0.00 179.25 180.31 2vvp h GLU 119 N 0.59 0.86 -0.53 0.00 5.08 -1.81 -1.90 114.58 116.87 2vvp h GLU 119 Ca 0.36 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2vvp h GLU 119 Cb 0.40 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2vvp h GLU 119 CO -0.29 0.75 0.24 0.00 -1.00 0.00 0.00 179.01 178.71 2vvp h ALA 120 N 1.07 0.69 -0.04 3.43 0.00 -0.16 -2.13 119.26 122.11 2vvp h ALA 120 Ca 0.19 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2vvp h ALA 120 Cb 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2vvp h ALA 120 CO -0.01 0.26 -0.42 -0.07 0.00 0.00 0.00 179.25 179.01 2vvp h LEU 121 N 0.71 0.10 -0.55 0.00 3.38 -0.73 -0.86 115.31 117.37 2vvp h LEU 121 Ca 0.18 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2vvp h LEU 121 Cb 0.14 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2vvp h LEU 121 CO -0.02 0.51 0.14 0.00 0.09 0.00 0.00 178.44 179.17 2vvp h ALA 122 N 1.49 0.72 -0.34 1.53 0.00 -1.14 -0.05 119.26 121.47 2vvp h ALA 122 Ca 0.01 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2vvp h ALA 122 Cb 0.78 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2vvp h ALA 122 CO 0.06 0.41 0.20 0.82 0.00 0.00 0.00 179.25 180.73 2vvp h ILE 123 N 0.77 1.04 -0.57 0.00 2.04 -0.88 -1.90 117.51 118.00 2vvp h ILE 123 Ca 0.17 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2vvp h ILE 123 Cb 0.32 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2vvp h ILE 123 CO -0.00 0.07 0.38 0.58 0.00 0.00 0.00 178.15 179.18 2vvp h VAL 124 N 0.41 1.15 -0.58 1.67 2.07 -0.96 -1.17 116.25 118.84 2vvp h VAL 124 Ca 0.13 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.39 2vvp h VAL 124 Cb -0.00 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 2vvp h VAL 124 CO -0.06 0.15 0.37 0.44 0.02 0.00 0.00 177.57 178.49 2vvp h ASP 125 N 0.78 0.63 -0.68 0.57 3.32 -0.76 -0.85 116.42 119.42 2vvp h ASP 125 Ca 0.21 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 2vvp h ASP 125 Cb -0.08 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 2vvp h ASP 125 CO -0.04 0.45 0.30 0.00 -1.72 0.00 0.00 179.24 178.23 2vvp h ALA 126 N 1.23 0.88 -0.35 3.45 0.00 -0.96 -2.33 119.26 121.18 2vvp h ALA 126 Ca 0.22 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2vvp h ALA 126 Cb -0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2vvp h ALA 126 CO -0.07 0.47 0.08 0.35 0.00 0.00 0.00 179.25 180.08 2vvp h PHE 127 N 0.96 0.59 0.00 0.00 3.57 -0.74 -1.58 116.94 119.74 2vvp h PHE 127 Ca 0.23 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2vvp h PHE 127 Cb 0.16 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2vvp h PHE 127 CO 0.01 0.60 -0.07 1.33 -2.23 0.00 0.00 178.31 177.95 2vvp n VAL 128 N -4.61 0.07 -0.01 1.41 0.24 -0.37 -3.92 118.33 111.14 2vvp n VAL 128 Ca -0.01 -0.03 0.05 0.00 -2.04 0.00 0.00 64.34 62.30 2vvp n VAL 128 Cb 0.20 -0.42 -0.09 0.00 -1.47 0.00 0.00 33.84 32.07 2vvp n VAL 128 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2vvp n THR 129 N -1.59 0.04 -2.76 3.34 -2.24 -0.89 -4.88 114.28 105.30 2vvp n THR 129 Ca 0.07 -0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 2vvp n THR 129 Cb 0.35 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 2vvp n THR 129 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2vvp s THR 130 N -2.76 4.86 0.48 4.28 2.01 -0.60 -5.02 115.64 118.89 2vvp s THR 130 Ca -0.04 1.93 -0.20 0.00 0.31 0.00 0.00 61.69 63.69 2vvp s THR 130 Cb 0.07 -4.26 -0.09 0.00 0.01 0.00 0.00 72.50 68.23 2vvp s THR 130 CO 0.47 0.09 1.02 -2.16 -0.69 0.00 0.00 174.62 173.35 2vvp s PRO 131 N 1.52 3.86 0.18 4.92 0.04 -1.26 -4.77 135.00 139.48 2vvp s PRO 131 Ca 0.47 1.30 -0.31 0.00 0.04 0.00 0.00 61.00 62.51 2vvp s PRO 131 Cb -0.19 -2.11 -0.10 0.00 0.04 0.00 0.00 34.50 32.15 2vvp s PRO 131 CO 0.21 -0.37 1.49 -0.46 0.04 0.00 0.00 177.00 177.90 2vvp s TRP 132 N -2.05 3.10 0.31 0.56 -0.00 -1.26 -3.65 118.94 115.96 2vvp s TRP 132 Ca 0.66 0.82 0.12 0.00 -0.00 0.00 0.00 56.10 57.70 2vvp s TRP 132 Cb -0.15 -3.83 0.53 0.00 -0.00 0.00 0.00 33.47 30.02 2vvp s TRP 132 CO 0.20 -2.94 1.71 0.66 -0.00 0.00 0.00 176.95 176.57 2vvp h SER 133 N 6.30 0.00 -0.77 5.86 4.64 -1.68 -3.47 113.55 124.43 2vvp h SER 133 Ca -0.43 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.56 2vvp h SER 133 Cb 1.21 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.17 2vvp h SER 133 CO 0.86 0.50 -0.30 0.29 -0.87 0.00 0.00 176.83 177.31 2vvp n LYS 134 N -3.92 -1.50 -2.29 4.77 5.02 -1.26 -4.98 118.16 114.00 2vvp n LYS 134 Ca -0.01 1.07 -0.38 0.00 -2.02 0.00 0.00 58.31 56.96 2vvp n LYS 134 Cb 0.52 -5.43 -0.02 0.00 -0.02 0.00 0.00 35.03 30.08 2vvp n LYS 134 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2vvp s ALA 135 N -2.41 3.18 0.18 7.82 0.00 -1.26 -4.86 121.76 124.41 2vvp s ALA 135 Ca 0.00 0.98 -0.14 0.00 0.00 0.00 0.00 51.96 52.79 2vvp s ALA 135 Cb 0.00 -3.38 0.17 0.00 0.00 0.00 0.00 23.12 19.91 2vvp s ALA 135 CO 0.00 -0.52 1.68 0.37 0.00 0.00 0.00 175.76 177.29 2vvp h GLN 136 N 2.72 0.09 -0.28 0.00 4.15 -2.00 -1.88 115.11 117.92 2vvp h GLN 136 Ca -0.49 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 58.83 2vvp h GLN 136 Cb 1.23 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.89 2vvp h GLN 136 CO 0.63 0.06 -0.25 0.07 -1.93 0.00 0.00 178.83 177.41 2vvp h ARG 137 N 0.10 0.54 -0.32 1.69 0.11 -1.99 -0.84 114.38 113.66 2vvp h ARG 137 Ca 0.24 -0.21 -0.10 0.00 0.10 0.00 0.00 59.98 60.01 2vvp h ARG 137 Cb 0.36 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.40 2vvp h ARG 137 CO -0.41 0.75 -0.18 0.45 0.10 0.00 0.00 179.97 180.68 2vvp h HIS 138 N 0.47 0.80 -0.76 4.08 3.86 -1.72 -2.08 115.15 119.80 2vvp h HIS 138 Ca 0.07 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.06 2vvp h HIS 138 Cb 0.69 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.94 2vvp h HIS 138 CO 0.03 0.91 0.43 1.96 0.86 0.00 0.00 177.93 182.11 2vvp h GLN 139 N 0.45 1.05 -0.38 2.45 4.20 -1.06 -0.57 115.11 121.25 2vvp h GLN 139 Ca 0.07 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2vvp h GLN 139 Cb 0.71 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 2vvp h GLN 139 CO 0.05 0.76 0.22 -0.09 -0.67 0.00 0.00 178.83 179.10 2vvp h ARG 140 N 1.06 0.53 -0.32 1.46 2.43 -0.97 -0.25 114.38 118.32 2vvp h ARG 140 Ca 0.27 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.31 2vvp h ARG 140 Cb 0.01 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 2vvp h ARG 140 CO -0.05 0.42 -0.09 0.00 -1.51 0.00 0.00 179.97 178.74 2vvp h ARG 141 N 0.50 0.63 -0.95 0.20 3.08 -0.95 -1.20 114.38 115.69 2vvp h ARG 141 Ca 0.14 -0.25 0.05 0.00 0.07 0.00 0.00 59.98 59.98 2vvp h ARG 141 Cb 0.03 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 2vvp h ARG 141 CO -0.02 0.82 0.62 0.82 -1.07 0.00 0.00 179.97 181.13 2vvp h ILE 142 N 0.40 1.13 -0.42 2.04 2.04 -0.94 -1.54 117.51 120.22 2vvp h ILE 142 Ca 0.08 -0.40 -0.13 0.00 1.00 0.00 0.00 64.86 65.41 2vvp h ILE 142 Cb 0.60 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2vvp h ILE 142 CO 0.04 0.21 -0.25 0.44 0.00 0.00 0.00 178.15 178.59 2vvp h ASP 143 N 1.16 0.91 -0.16 1.72 3.32 -0.66 0.62 116.42 123.33 2vvp h ASP 143 Ca 0.39 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2vvp h ASP 143 Cb 0.07 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2vvp h ASP 143 CO -0.13 1.11 0.10 0.40 -1.72 0.00 0.00 179.24 179.00 2vvp h ILE 144 N 0.76 1.06 -0.60 0.35 2.04 -0.79 -0.73 117.51 119.60 2vvp h ILE 144 Ca 0.09 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2vvp h ILE 144 Cb 0.80 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 2vvp h ILE 144 CO 0.07 0.06 0.37 0.25 0.00 0.00 0.00 178.15 178.89 2vvp h LEU 145 N 0.20 0.70 -1.01 1.44 5.85 -0.98 -1.99 115.31 119.53 2vvp h LEU 145 Ca 0.06 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2vvp h LEU 145 Cb 0.00 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 2vvp h LEU 145 CO -0.01 0.54 0.56 0.00 -0.34 0.00 0.00 178.44 179.19 2vvp h ALA 146 N 1.19 1.26 -0.62 1.25 0.00 -0.60 -0.10 119.26 121.65 2vvp h ALA 146 Ca 0.22 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2vvp h ALA 146 Cb -0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 2vvp h ALA 146 CO -0.04 0.64 0.06 1.49 0.00 0.00 0.00 179.25 181.40 2vvp h GLU 147 N 1.26 1.03 -0.39 0.00 4.57 -0.80 -0.79 114.58 119.46 2vvp h GLU 147 Ca 0.33 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 2vvp h GLU 147 Cb -0.07 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.38 2vvp h GLU 147 CO -0.06 0.97 0.15 -0.92 -1.18 0.00 0.00 179.01 177.97 2vvp h TYR 148 N 0.96 0.60 -0.21 0.92 5.03 -0.75 -2.25 116.97 121.27 2vvp h TYR 148 Ca 0.18 -0.05 0.02 0.00 2.58 0.00 0.00 58.73 61.47 2vvp h TYR 148 Cb 0.47 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.56 2vvp h TYR 148 CO 0.03 0.54 0.14 1.49 -1.32 0.00 0.00 178.16 179.05 2vvp h GLU 149 N 0.49 0.21 -0.30 1.82 4.81 -0.69 0.78 114.58 121.71 2vvp h GLU 149 Ca 0.13 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.23 2vvp h GLU 149 Cb 0.20 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2vvp h GLU 149 CO -0.01 0.14 -0.27 -0.09 -0.73 0.00 0.00 179.01 178.05 2vvp h ARG 150 N 0.22 0.71 0.00 1.92 2.43 -0.63 -3.38 114.38 115.64 2vvp h ARG 150 Ca 0.09 -0.36 -0.02 0.00 -0.81 0.00 0.00 59.98 58.87 2vvp h ARG 150 Cb 0.08 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2vvp h ARG 150 CO -0.02 0.98 -1.36 0.25 -1.51 0.00 0.00 179.97 178.31 2vvp n THR 151 N -4.27 0.07 -2.05 0.20 -2.24 -0.89 -5.00 114.28 100.10 2vvp n THR 151 Ca -0.04 -0.19 -0.18 0.00 -2.27 0.00 0.00 64.05 61.37 2vvp n THR 151 Cb 0.46 0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.81 2vvp n THR 151 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2vvp n HIS 152 N -1.83 -0.73 -3.26 4.78 8.25 0.27 -4.98 115.22 117.72 2vvp n HIS 152 Ca -0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 2vvp n HIS 152 Cb 0.28 -3.42 -0.08 0.00 1.12 0.00 0.00 29.99 27.89 2vvp n HIS 152 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2vvp s GLU 153 N -4.43 3.35 0.15 -0.41 2.02 -1.26 -5.04 118.70 113.09 2vvp s GLU 153 Ca 0.00 -0.45 -0.31 0.00 0.02 0.00 0.00 54.97 54.22 2vvp s GLU 153 Cb 0.00 -3.90 -0.11 0.00 0.10 0.00 0.00 34.13 30.23 2vvp s GLU 153 CO 0.00 -0.78 1.71 0.00 0.02 0.00 0.00 175.26 176.21 2vvp s ALA 154 N 2.35 3.82 0.31 5.21 0.00 -1.26 -4.73 121.76 127.45 2vvp s ALA 154 Ca 0.16 1.45 -0.28 0.00 0.00 0.00 0.00 51.96 53.29 2vvp s ALA 154 Cb -0.16 -3.70 -0.09 0.00 0.00 0.00 0.00 23.12 19.17 2vvp s ALA 154 CO 0.14 -1.01 1.10 -1.25 0.00 0.00 0.00 175.76 174.75 2vvp s PRO 155 N 1.84 4.52 0.57 0.00 0.04 -1.26 -4.97 135.00 135.74 2vvp s PRO 155 Ca 0.76 1.78 -0.21 0.00 0.04 0.00 0.00 61.00 63.37 2vvp s PRO 155 Cb -0.46 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 2vvp s PRO 155 CO 0.33 0.11 1.32 -2.14 0.04 0.00 0.00 177.00 176.67 2vvp s PRO 156 N -1.67 3.03 0.64 0.56 0.02 -1.26 -5.01 135.00 131.32 2vvp s PRO 156 Ca 0.47 2.14 -0.11 0.00 0.02 0.00 0.00 61.00 63.53 2vvp s PRO 156 Cb -0.31 -2.15 -0.03 0.00 0.02 0.00 0.00 34.50 32.03 2vvp s PRO 156 CO 0.39 -1.25 1.04 0.14 -0.33 0.00 0.00 177.00 176.99 2vvp s VAL 157 N -1.36 4.53 -2.00 3.83 -7.23 -1.26 -5.30 120.40 111.61 2vvp s VAL 157 Ca 0.74 0.82 0.09 0.00 -1.81 0.00 0.00 61.98 61.83 2vvp s VAL 157 Cb -0.38 -3.74 0.27 0.00 0.56 0.00 0.00 36.38 33.08 2vvp s VAL 157 CO 0.44 -1.07 1.01 -2.65 -0.31 0.00 0.00 175.10 172.52