#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bve s GLN 2 N 0.00 4.49 -0.43 -0.52 0.74 -1.26 -5.01 119.66 117.67 1bve s GLN 2 Ca 0.00 1.06 0.03 0.00 0.05 0.00 0.00 55.36 56.51 1bve s GLN 2 Cb 0.00 -3.43 0.12 0.00 1.10 0.00 0.00 33.01 30.80 1bve s GLN 2 CO 0.00 0.09 0.17 0.08 -0.55 0.00 0.00 175.29 175.07 1bve s VAL 3 N 0.65 2.24 -0.35 1.34 1.01 -1.26 -4.93 120.40 119.10 1bve s VAL 3 Ca 0.41 -2.75 0.10 0.00 0.00 0.00 0.00 61.98 59.75 1bve s VAL 3 Cb -0.19 -2.60 0.45 0.00 0.00 0.00 0.00 36.38 34.04 1bve s VAL 3 CO 0.22 -0.73 1.11 0.35 0.00 0.00 0.00 175.10 176.05 1bve n THR 4 N 3.70 2.04 -0.57 3.92 -2.24 -1.26 -4.84 114.28 115.02 1bve n THR 4 Ca 0.05 -4.14 -0.14 0.00 -2.27 0.00 0.00 64.05 57.55 1bve n THR 4 Cb 0.37 -0.56 0.05 0.00 -2.10 0.00 0.00 70.33 68.08 1bve n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bve n LEU 5 N -0.49 5.82 -2.38 3.22 -0.00 -1.26 -4.87 117.00 117.03 1bve n LEU 5 Ca 0.31 -2.98 0.00 0.00 -0.00 0.00 0.00 56.01 53.34 1bve n LEU 5 Cb 0.80 -0.92 0.00 0.00 -0.00 0.00 0.00 43.42 43.30 1bve n LEU 5 CO 0.31 1.05 0.00 0.79 -0.00 0.00 0.00 177.39 179.54 1bve n TRP 6 N 0.17 0.00 -2.18 1.47 7.02 -1.26 -4.67 117.44 117.99 1bve n TRP 6 Ca 0.28 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.76 1bve n TRP 6 Cb 0.74 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.63 1bve n TRP 6 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1bve n GLN 7 N -0.86 0.00 -2.60 -0.99 6.02 -1.26 -5.10 117.38 112.58 1bve n GLN 7 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 1bve n GLN 7 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 1bve n GLN 7 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1bve s ARG 8 N 1.02 3.89 -1.29 -1.09 0.52 -1.26 -4.94 118.95 115.80 1bve s ARG 8 Ca 0.00 0.85 -0.18 0.00 -0.52 0.00 0.00 55.73 55.88 1bve s ARG 8 Cb 0.00 -3.83 0.07 0.00 0.52 0.00 0.00 34.95 31.71 1bve s ARG 8 CO 0.00 -1.15 1.74 -1.25 0.02 0.00 0.00 175.30 174.66 1bve s PRO 9 N 4.07 3.95 0.33 3.54 0.04 -1.26 -4.97 135.00 140.70 1bve s PRO 9 Ca 0.48 -1.96 0.06 0.00 0.04 0.00 0.00 61.00 59.62 1bve s PRO 9 Cb -0.10 -5.53 -0.01 0.00 0.04 0.00 0.00 34.50 28.90 1bve s PRO 9 CO 0.24 -2.29 0.46 -0.51 0.04 0.00 0.00 177.00 174.93 1bve s LEU 10 N 4.39 4.00 -0.14 -3.56 1.02 -1.26 -2.11 118.68 121.02 1bve s LEU 10 Ca 0.54 -0.17 -0.07 0.00 0.02 0.00 0.00 54.13 54.45 1bve s LEU 10 Cb 0.04 -2.75 0.05 0.00 0.02 0.00 0.00 46.19 43.55 1bve s LEU 10 CO 0.08 -0.40 0.32 0.68 0.02 0.00 0.00 176.35 177.05 1bve s VAL 11 N -2.16 -0.06 -0.78 -1.59 -7.23 -0.43 -4.89 120.40 103.26 1bve s VAL 11 Ca 0.44 0.13 -0.25 0.00 -1.81 0.00 0.00 61.98 60.48 1bve s VAL 11 Cb -0.09 -0.49 -0.04 0.00 0.56 0.00 0.00 36.38 36.32 1bve s VAL 11 CO 0.31 0.05 1.94 -0.89 -0.31 0.00 0.00 175.10 176.20 1bve s THR 12 N 1.39 3.39 0.70 5.32 2.01 -1.26 -1.27 115.64 125.92 1bve s THR 12 Ca -0.09 -0.13 -0.09 0.00 0.31 0.00 0.00 61.69 61.69 1bve s THR 12 Cb -0.10 -3.92 0.04 0.00 0.01 0.00 0.00 72.50 68.53 1bve s THR 12 CO -0.11 -0.88 1.05 0.27 -0.69 0.00 0.00 174.62 174.26 1bve s ILE 13 N 9.91 2.83 -0.29 1.82 -4.36 -0.65 -4.60 121.20 125.86 1bve s ILE 13 Ca 0.70 0.05 0.00 0.00 -0.26 0.00 0.00 60.65 61.14 1bve s ILE 13 Cb -0.09 -3.22 0.09 0.00 1.25 0.00 0.00 42.46 40.48 1bve s ILE 13 CO 0.08 -0.27 0.05 -0.75 0.24 0.00 0.00 174.94 174.30 1bve s LYS 14 N -5.30 1.03 0.08 0.37 2.20 -0.78 -2.87 119.74 114.48 1bve s LYS 14 Ca 0.59 -1.15 0.08 0.00 -0.36 0.00 0.00 55.97 55.12 1bve s LYS 14 Cb -0.11 -2.35 -0.03 0.00 -1.51 0.00 0.00 37.83 33.83 1bve s LYS 14 CO 0.48 -0.87 -0.21 0.42 -0.36 0.00 0.00 175.35 174.80 1bve s ILE 15 N 1.46 1.74 -0.84 5.43 1.01 -1.02 -1.53 121.20 127.44 1bve s ILE 15 Ca 0.06 -1.42 -0.05 0.00 0.00 0.00 0.00 60.65 59.24 1bve s ILE 15 Cb -0.18 -1.55 0.04 0.00 0.01 0.00 0.00 42.46 40.78 1bve s ILE 15 CO -0.17 0.06 0.20 0.61 0.00 0.00 0.00 174.94 175.64 1bve n GLY 16 N 1.38 -0.49 2.77 6.18 0.00 -1.26 0.29 105.19 114.07 1bve n GLY 16 Ca -0.18 0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 1bve n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bve n GLY 17 N -0.83 -0.05 3.24 -0.02 0.00 -1.26 -4.80 105.19 101.46 1bve n GLY 17 Ca -0.03 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1bve n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1bve s GLN 18 N -5.51 1.30 -0.05 1.61 2.00 0.15 -5.10 119.66 114.05 1bve s GLN 18 Ca 0.25 -1.70 0.00 0.00 -2.00 0.00 0.00 55.36 51.91 1bve s GLN 18 Cb -0.11 0.13 0.02 0.00 0.80 0.00 0.00 33.01 33.86 1bve s GLN 18 CO 0.48 -0.39 -0.02 -0.51 -0.50 0.00 0.00 175.29 174.35 1bve s LEU 19 N -3.22 1.04 0.08 3.68 1.43 -1.26 -2.44 118.68 117.99 1bve s LEU 19 Ca 0.39 -0.09 -0.10 0.00 -1.03 0.00 0.00 54.13 53.29 1bve s LEU 19 Cb 0.07 -0.39 0.01 0.00 0.03 0.00 0.00 46.19 45.90 1bve s LEU 19 CO 0.14 -0.11 0.23 -0.54 0.23 0.00 0.00 176.35 176.30 1bve s LYS 20 N 1.30 0.85 -0.13 1.70 1.02 -1.14 -4.97 119.74 118.36 1bve s LYS 20 Ca -0.05 -0.82 -0.29 0.00 0.02 0.00 0.00 55.97 54.82 1bve s LYS 20 Cb -0.13 0.35 -0.01 0.00 -0.52 0.00 0.00 37.83 37.52 1bve s LYS 20 CO -0.02 -0.28 1.05 -1.21 -0.92 0.00 0.00 175.35 173.97 1bve s GLU 21 N -3.51 4.36 -0.06 1.68 2.02 -1.26 -1.64 118.70 120.29 1bve s GLU 21 Ca 0.02 1.43 -0.02 0.00 0.02 0.00 0.00 54.97 56.43 1bve s GLU 21 Cb 0.03 -3.58 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 1bve s GLU 21 CO -0.09 -0.43 0.05 0.00 0.02 0.00 0.00 175.26 174.81 1bve s ALA 22 N 2.40 3.47 -0.51 5.21 0.00 -0.40 -4.30 121.76 127.64 1bve s ALA 22 Ca 0.49 -0.81 -0.17 0.00 0.00 0.00 0.00 51.96 51.47 1bve s ALA 22 Cb -0.18 -1.58 0.08 0.00 0.00 0.00 0.00 23.12 21.44 1bve s ALA 22 CO 0.15 0.63 0.52 -1.17 0.00 0.00 0.00 175.76 175.89 1bve s LEU 23 N -1.22 5.49 -0.41 0.00 2.96 -0.55 -1.32 118.68 123.64 1bve s LEU 23 Ca 0.17 -1.29 -0.41 0.00 -0.22 0.00 0.00 54.13 52.37 1bve s LEU 23 Cb -0.12 -2.28 -0.16 0.00 0.50 0.00 0.00 46.19 44.13 1bve s LEU 23 CO 0.07 -0.81 1.99 0.18 -1.32 0.00 0.00 176.35 176.46 1bve n LEU 24 N 5.63 1.54 -3.95 -0.68 4.77 -0.89 -3.10 117.00 120.31 1bve n LEU 24 Ca -0.11 0.77 -0.30 0.00 -0.03 0.00 0.00 56.01 56.34 1bve n LEU 24 Cb 0.43 -1.04 -0.14 0.00 -2.33 0.00 0.00 43.42 40.34 1bve n LEU 24 CO 0.52 -0.70 -0.16 -0.62 -1.33 0.00 0.00 177.39 175.10 1bve s ASP 25 N 5.39 4.40 0.00 -1.43 -1.08 -0.25 -4.87 116.67 118.83 1bve s ASP 25 Ca 1.10 -3.09 0.26 0.00 -0.52 0.00 0.00 52.55 50.30 1bve s ASP 25 Cb -1.24 -1.65 1.42 0.00 -1.46 0.00 0.00 42.92 39.99 1bve s ASP 25 CO 0.64 -0.22 1.89 0.41 0.52 0.00 0.00 175.17 178.40 1bve n THR 26 N 3.01 0.10 0.03 1.71 -1.04 -1.26 -2.80 114.28 114.04 1bve n THR 26 Ca 0.06 0.03 0.01 0.00 -2.04 0.00 0.00 64.05 62.11 1bve n THR 26 Cb 0.33 -0.61 -0.08 0.00 -1.82 0.00 0.00 70.33 68.15 1bve n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bve n GLY 27 N 0.75 -1.21 3.90 3.41 0.00 -1.26 -4.71 105.19 106.08 1bve n GLY 27 Ca 0.16 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1bve n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bve s ALA 28 N -2.97 3.27 -0.72 4.61 0.00 -1.12 -4.97 121.76 119.86 1bve s ALA 28 Ca -0.03 -0.49 0.22 0.00 0.00 0.00 0.00 51.96 51.66 1bve s ALA 28 Cb 0.09 -2.72 -0.15 0.00 0.00 0.00 0.00 23.12 20.34 1bve s ALA 28 CO 0.81 -0.64 0.87 -0.25 0.00 0.00 0.00 175.76 176.55 1bve n ASP 29 N -2.53 0.68 -2.12 0.00 8.00 -1.26 -1.70 116.55 117.61 1bve n ASP 29 Ca 0.03 -0.58 -0.09 0.00 0.71 0.00 0.00 54.79 54.87 1bve n ASP 29 Cb 0.56 1.12 -0.03 0.00 -0.02 0.00 0.00 41.12 42.74 1bve n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1bve n ASP 30 N -1.76 -0.48 -4.24 -2.24 8.00 -1.26 -2.31 116.55 112.26 1bve n ASP 30 Ca 0.02 -2.09 -0.43 0.00 0.71 0.00 0.00 54.79 53.00 1bve n ASP 30 Cb 0.40 1.02 -0.05 0.00 -0.02 0.00 0.00 41.12 42.47 1bve n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1bve s THR 31 N -2.68 4.85 1.06 -3.53 2.01 -1.14 0.61 115.64 116.82 1bve s THR 31 Ca 0.19 -2.50 -0.15 0.00 0.31 0.00 0.00 61.69 59.54 1bve s THR 31 Cb 0.01 -4.06 0.22 0.00 0.01 0.00 0.00 72.50 68.68 1bve s THR 31 CO 0.13 -0.95 1.12 0.54 -0.69 0.00 0.00 174.62 174.78 1bve s VAL 32 N 0.30 1.85 -0.30 3.82 0.11 0.51 -1.05 120.40 125.66 1bve s VAL 32 Ca 0.15 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.06 1bve s VAL 32 Cb -0.16 -2.56 0.15 0.00 -1.53 0.00 0.00 36.38 32.27 1bve s VAL 32 CO -0.06 0.00 0.90 -0.76 -3.33 0.00 0.00 175.10 171.86 1bve s LEU 33 N -6.54 -0.69 0.48 2.54 1.02 0.30 -1.07 118.68 114.71 1bve s LEU 33 Ca 0.68 0.99 -0.19 0.00 0.02 0.00 0.00 54.13 55.63 1bve s LEU 33 Cb -0.14 1.84 -0.15 0.00 0.02 0.00 0.00 46.19 47.77 1bve s LEU 33 CO 0.56 -0.14 -0.07 1.21 0.02 0.00 0.00 176.35 177.93 1bve n GLU 34 N 4.75 0.00 -1.54 1.70 2.13 -1.04 -2.67 120.64 123.96 1bve n GLU 34 Ca -0.12 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.26 1bve n GLU 34 Cb 0.53 -1.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.24 1bve n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1bve n GLU 35 N 1.46 1.05 -1.79 5.31 2.13 0.28 -4.55 120.64 124.52 1bve n GLU 35 Ca 0.09 0.37 -0.01 0.00 0.66 0.00 0.00 57.16 58.26 1bve n GLU 35 Cb 0.45 -1.72 0.01 0.00 0.27 0.00 0.00 31.44 30.45 1bve n GLU 35 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bve n MET 36 N 0.61 0.21 -3.06 5.31 0.00 -1.26 -4.98 117.12 113.96 1bve n MET 36 Ca 0.11 -0.44 -0.44 0.00 0.00 0.00 0.00 57.70 56.92 1bve n MET 36 Cb 0.34 0.57 -0.01 0.00 0.00 0.00 0.00 33.22 34.12 1bve n MET 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1bve s SER 37 N -1.51 6.97 -0.41 3.17 0.15 -1.26 -4.94 113.70 115.86 1bve s SER 37 Ca 0.04 -2.82 0.00 0.00 0.70 0.00 0.00 55.95 53.88 1bve s SER 37 Cb -0.01 -2.34 0.11 0.00 -1.71 0.00 0.00 66.02 62.07 1bve s SER 37 CO 0.02 -0.73 0.17 -0.22 1.20 0.00 0.00 173.24 173.69 1bve s LEU 38 N 1.19 5.00 0.79 3.45 2.96 -1.26 -4.73 118.68 126.07 1bve s LEU 38 Ca 0.35 -2.23 -0.12 0.00 -0.22 0.00 0.00 54.13 51.91 1bve s LEU 38 Cb -0.05 -1.74 0.07 0.00 0.50 0.00 0.00 46.19 44.96 1bve s LEU 38 CO -0.05 -0.44 1.13 -2.16 -1.32 0.00 0.00 176.35 173.51 1bve s PRO 39 N 0.83 2.15 0.00 0.98 0.04 -1.26 -5.00 135.00 132.73 1bve s PRO 39 Ca 0.11 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1bve s PRO 39 Cb -0.21 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1bve s PRO 39 CO -0.05 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 175.89 1bve n GLY 40 N -2.84 2.31 3.73 0.56 0.00 -1.26 -5.02 105.19 102.67 1bve n GLY 40 Ca 0.07 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 1bve n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bve s ARG 41 N -1.81 4.53 0.28 1.61 3.00 -1.26 -5.02 118.95 120.28 1bve s ARG 41 Ca 0.00 1.73 0.05 0.00 0.00 0.00 0.00 55.73 57.51 1bve s ARG 41 Cb 0.00 -3.31 -0.02 0.00 0.00 0.00 0.00 34.95 31.62 1bve s ARG 41 CO 0.00 -0.06 0.18 -2.67 0.00 0.00 0.00 175.30 172.75 1bve n TRP 42 N 3.01 -0.36 -3.94 -0.53 4.27 -1.26 -4.46 117.44 114.16 1bve n TRP 42 Ca 0.05 -2.10 -0.09 0.00 -3.89 0.00 0.00 57.50 51.47 1bve n TRP 42 Cb 0.46 0.14 -0.07 0.00 -1.36 0.00 0.00 31.31 30.48 1bve n TRP 42 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 1bve s LYS 43 N -3.10 0.99 0.26 -2.67 2.47 -1.05 -4.95 119.74 111.69 1bve s LYS 43 Ca 0.25 -1.12 -0.29 0.00 -1.56 0.00 0.00 55.97 53.25 1bve s LYS 43 Cb 0.01 0.34 -0.09 0.00 -1.46 0.00 0.00 37.83 36.63 1bve s LYS 43 CO 0.18 -0.33 1.00 -1.25 0.16 0.00 0.00 175.35 175.10 1bve s PRO 44 N -3.93 4.76 -0.25 4.03 0.04 -1.26 -0.23 135.00 138.15 1bve s PRO 44 Ca 0.13 1.59 -0.05 0.00 0.04 0.00 0.00 61.00 62.70 1bve s PRO 44 Cb 0.05 -3.21 0.13 0.00 0.04 0.00 0.00 34.50 31.51 1bve s PRO 44 CO -0.05 0.39 0.50 0.21 0.04 0.00 0.00 177.00 178.09 1bve s LYS 45 N -1.34 0.44 -0.26 4.56 2.47 -0.49 -4.69 119.74 120.43 1bve s LYS 45 Ca 0.43 1.00 -0.10 0.00 -1.56 0.00 0.00 55.97 55.74 1bve s LYS 45 Cb -0.28 0.30 -0.05 0.00 -1.46 0.00 0.00 37.83 36.35 1bve s LYS 45 CO 0.34 -0.42 0.16 -1.64 0.16 0.00 0.00 175.35 173.95 1bve s MET 46 N 2.71 3.96 -0.01 4.03 -1.94 -1.26 -0.80 119.30 126.00 1bve s MET 46 Ca 0.06 -0.32 -0.15 0.00 -1.71 0.00 0.00 55.69 53.57 1bve s MET 46 Cb -0.14 -3.55 -0.06 0.00 2.01 0.00 0.00 34.83 33.10 1bve s MET 46 CO -0.17 -0.06 0.41 0.96 -0.01 0.00 0.00 175.02 176.15 1bve s ILE 47 N 1.39 5.04 -0.34 2.53 -4.36 -0.51 -4.88 121.20 120.08 1bve s ILE 47 Ca 0.07 0.84 0.02 0.00 -0.26 0.00 0.00 60.65 61.33 1bve s ILE 47 Cb -0.15 -3.72 0.09 0.00 1.25 0.00 0.00 42.46 39.94 1bve s ILE 47 CO 0.07 0.56 0.05 -0.83 0.24 0.00 0.00 174.94 175.03 1bve s GLY 48 N -0.96 1.89 0.00 6.27 0.00 -1.26 -1.03 107.32 112.24 1bve s GLY 48 Ca 0.24 -2.37 0.00 0.00 0.00 0.00 0.00 44.72 42.58 1bve s GLY 48 CO 0.13 0.89 0.00 0.61 0.00 0.00 0.00 173.10 174.73 1bve n GLY 49 N 4.35 2.60 3.65 0.20 0.00 -1.05 -4.98 105.19 109.97 1bve n GLY 49 Ca -0.01 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1bve n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bve s ILE 50 N 3.19 4.92 0.00 -0.61 1.01 -1.26 -4.19 121.20 124.26 1bve s ILE 50 Ca 0.00 1.43 0.00 0.00 0.00 0.00 0.00 60.65 62.08 1bve s ILE 50 Cb 0.00 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.42 1bve s ILE 50 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.57 1bve n GLY 51 N 3.71 2.98 0.00 6.18 0.00 -1.26 -4.95 105.19 111.84 1bve n GLY 51 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1bve n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bve n GLY 52 N 0.00 -0.61 3.43 -0.02 0.00 -1.26 -5.13 105.19 101.59 1bve n GLY 52 Ca 0.00 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 1bve n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bve s PHE 53 N -3.31 2.90 0.33 1.61 0.40 -1.26 -2.53 117.98 116.13 1bve s PHE 53 Ca 0.00 -0.50 0.08 0.00 -0.60 0.00 0.00 56.93 55.91 1bve s PHE 53 Cb 0.00 -1.89 -0.03 0.00 0.51 0.00 0.00 43.02 41.61 1bve s PHE 53 CO 0.00 -0.14 0.26 0.96 0.70 0.00 0.00 175.22 177.01 1bve s ILE 54 N 0.36 3.51 -0.08 0.64 -4.36 -0.19 -4.91 121.20 116.17 1bve s ILE 54 Ca -0.08 -1.42 -0.02 0.00 -0.26 0.00 0.00 60.65 58.87 1bve s ILE 54 Cb -0.15 -3.17 -0.03 0.00 1.25 0.00 0.00 42.46 40.36 1bve s ILE 54 CO 0.04 -0.19 0.00 -0.54 0.24 0.00 0.00 174.94 174.50 1bve s LYS 55 N -3.96 2.98 0.34 0.37 1.02 -1.26 -1.42 119.74 117.80 1bve s LYS 55 Ca 0.40 -0.41 -0.01 0.00 0.02 0.00 0.00 55.97 55.97 1bve s LYS 55 Cb -0.05 -2.79 -0.00 0.00 -0.52 0.00 0.00 37.83 34.46 1bve s LYS 55 CO 0.26 0.70 0.43 0.14 -0.92 0.00 0.00 175.35 175.96 1bve s VAL 56 N -0.90 0.00 -0.25 3.17 -7.23 0.02 -3.57 120.40 111.63 1bve s VAL 56 Ca 0.14 -1.67 0.03 0.00 -1.81 0.00 0.00 61.98 58.66 1bve s VAL 56 Cb -0.11 -2.61 0.06 0.00 0.56 0.00 0.00 36.38 34.28 1bve s VAL 56 CO 0.03 0.00 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.58 1bve s ARG 57 N -3.16 2.19 -0.36 4.82 3.00 -0.65 -1.40 118.95 123.40 1bve s ARG 57 Ca 0.32 -1.26 -0.28 0.00 0.00 0.00 0.00 55.73 54.51 1bve s ARG 57 Cb 0.00 -2.82 -0.04 0.00 0.00 0.00 0.00 34.95 32.09 1bve s ARG 57 CO 0.21 -0.55 2.02 -1.14 0.00 0.00 0.00 175.30 175.84 1bve s GLN 58 N 1.15 2.98 -0.53 3.54 0.74 0.68 -2.59 119.66 125.64 1bve s GLN 58 Ca -0.08 1.49 -0.15 0.00 0.05 0.00 0.00 55.36 56.67 1bve s GLN 58 Cb -0.19 -4.34 0.12 0.00 1.10 0.00 0.00 33.01 29.70 1bve s GLN 58 CO -0.06 -2.27 0.47 0.71 -0.55 0.00 0.00 175.29 173.59 1bve s TYR 59 N 8.43 3.27 0.02 1.67 2.02 -1.03 -2.54 117.35 129.19 1bve s TYR 59 Ca 0.87 -1.34 -0.26 0.00 -0.37 0.00 0.00 57.07 55.97 1bve s TYR 59 Cb -0.23 -3.71 -0.05 0.00 -0.40 0.00 0.00 41.96 37.57 1bve s TYR 59 CO 0.31 -1.00 0.81 -0.51 -1.57 0.00 0.00 175.55 173.59 1bve s ASP 60 N 3.40 7.22 0.00 2.29 1.01 -1.26 -1.41 116.67 127.92 1bve s ASP 60 Ca 0.03 1.46 0.00 0.00 0.71 0.00 0.00 52.55 54.75 1bve s ASP 60 Cb -0.29 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.15 1bve s ASP 60 CO 0.03 -0.08 0.00 0.00 0.21 0.00 0.00 175.17 175.33 1bve n GLN 61 N 3.24 0.00 -4.06 8.23 6.02 -0.78 -4.96 117.38 125.08 1bve n GLN 61 Ca -0.00 0.01 -0.33 0.00 -0.01 0.00 0.00 57.00 56.67 1bve n GLN 61 Cb 0.50 -1.41 -0.15 0.00 1.02 0.00 0.00 30.24 30.20 1bve n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1bve s ILE 62 N -2.94 2.41 -1.01 5.09 -1.09 -0.28 -4.80 121.20 118.58 1bve s ILE 62 Ca 0.00 -0.93 -0.24 0.00 -2.23 0.00 0.00 60.65 57.25 1bve s ILE 62 Cb 0.00 -2.10 -0.05 0.00 -1.58 0.00 0.00 42.46 38.73 1bve s ILE 62 CO 0.00 0.42 1.92 -0.22 -1.23 0.00 0.00 174.94 175.83 1bve s LEU 63 N 1.31 3.15 -0.25 2.97 2.96 -1.25 -1.77 118.68 125.80 1bve s LEU 63 Ca 0.03 -1.07 -0.23 0.00 -0.22 0.00 0.00 54.13 52.64 1bve s LEU 63 Cb -0.14 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.97 1bve s LEU 63 CO -0.09 -2.78 0.76 -0.51 -1.32 0.00 0.00 176.35 172.41 1bve s ILE 64 N 10.10 4.88 -0.58 6.68 2.07 0.63 -4.54 121.20 140.43 1bve s ILE 64 Ca 0.68 1.40 -0.23 0.00 -1.41 0.00 0.00 60.65 61.09 1bve s ILE 64 Cb -0.04 -4.06 0.05 0.00 0.13 0.00 0.00 42.46 38.54 1bve s ILE 64 CO 0.04 -0.06 0.91 -0.70 -1.91 0.00 0.00 174.94 173.22 1bve s GLU 65 N 2.75 3.24 -0.22 3.50 2.12 -0.58 -1.95 118.70 127.55 1bve s GLU 65 Ca 0.32 -0.51 -0.05 0.00 0.36 0.00 0.00 54.97 55.09 1bve s GLU 65 Cb -0.15 -4.11 -0.02 0.00 0.26 0.00 0.00 34.13 30.11 1bve s GLU 65 CO 0.08 -1.56 -0.00 0.42 -0.54 0.00 0.00 175.26 173.66 1bve s ILE 66 N 3.83 3.75 -1.06 -3.70 1.01 -1.13 -1.86 121.20 122.05 1bve s ILE 66 Ca 0.26 -0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.48 1bve s ILE 66 Cb -0.15 -2.72 0.01 0.00 0.01 0.00 0.00 42.46 39.61 1bve s ILE 66 CO 0.16 0.40 0.92 0.00 0.00 0.00 0.00 174.94 176.42 1bve n GLY 68 N -1.67 -0.40 2.96 0.00 0.00 -1.26 -4.96 105.19 99.86 1bve n GLY 68 Ca 0.00 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1bve n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bve s HIS 69 N -2.95 3.24 -0.36 1.61 3.76 -0.87 -5.05 115.29 114.68 1bve s HIS 69 Ca 0.03 -2.63 -0.33 0.00 -0.15 0.00 0.00 55.06 51.98 1bve s HIS 69 Cb -0.01 -2.53 -0.10 0.00 1.11 0.00 0.00 32.58 31.04 1bve s HIS 69 CO 0.03 -0.92 2.23 1.63 -0.85 0.00 0.00 174.74 176.87 1bve n LYS 70 N 4.41 1.21 -4.35 1.40 4.01 -1.26 -2.83 118.16 120.74 1bve n LYS 70 Ca 0.00 0.31 -0.23 0.00 -0.51 0.00 0.00 58.31 57.88 1bve n LYS 70 Cb 0.42 -2.66 -0.13 0.00 -0.51 0.00 0.00 35.03 32.16 1bve n LYS 70 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bve s ALA 71 N 7.96 1.61 0.09 7.82 0.00 -0.82 -4.98 121.76 133.43 1bve s ALA 71 Ca 1.08 -1.11 0.09 0.00 0.00 0.00 0.00 51.96 52.02 1bve s ALA 71 Cb -0.72 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1bve s ALA 71 CO 0.44 0.32 -0.24 0.42 0.00 0.00 0.00 175.76 176.71 1bve s ILE 72 N -1.06 2.42 0.00 0.00 -1.09 -1.26 0.23 121.20 120.44 1bve s ILE 72 Ca 0.05 -1.50 0.00 0.00 -2.23 0.00 0.00 60.65 56.96 1bve s ILE 72 Cb -0.09 -2.03 0.00 0.00 -1.58 0.00 0.00 42.46 38.75 1bve s ILE 72 CO 0.03 0.22 0.00 0.61 -1.23 0.00 0.00 174.94 174.57 1bve n GLY 73 N 1.27 1.09 3.45 6.18 0.00 -0.73 -4.81 105.19 111.65 1bve n GLY 73 Ca -0.17 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 1bve n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bve s THR 74 N -2.38 5.08 -0.40 2.61 2.01 -1.26 -1.12 115.64 120.18 1bve s THR 74 Ca 0.00 -0.54 -0.15 0.00 0.31 0.00 0.00 61.69 61.31 1bve s THR 74 Cb 0.00 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.41 1bve s THR 74 CO 0.00 -0.54 0.32 -0.69 -0.69 0.00 0.00 174.62 173.02 1bve s VAL 75 N 2.13 5.23 -0.27 3.82 1.01 -0.50 -2.89 120.40 128.92 1bve s VAL 75 Ca 0.11 -0.50 -0.28 0.00 0.00 0.00 0.00 61.98 61.31 1bve s VAL 75 Cb -0.19 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.28 1bve s VAL 75 CO 0.12 -0.28 1.01 -0.76 0.00 0.00 0.00 175.10 175.19 1bve s LEU 76 N 1.79 4.03 -0.37 3.92 1.02 -0.21 -2.46 118.68 126.40 1bve s LEU 76 Ca 0.07 1.15 -0.11 0.00 0.02 0.00 0.00 54.13 55.27 1bve s LEU 76 Cb -0.18 -3.46 0.03 0.00 0.02 0.00 0.00 46.19 42.59 1bve s LEU 76 CO 0.11 -0.73 0.20 -0.69 0.02 0.00 0.00 176.35 175.26 1bve s VAL 77 N 3.31 4.50 0.00 -1.59 1.01 -1.07 0.11 120.40 126.68 1bve s VAL 77 Ca 0.43 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1bve s VAL 77 Cb -0.14 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1bve s VAL 77 CO 0.10 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.57 1bve n GLY 78 N 4.98 4.06 1.76 4.51 0.00 -1.09 -1.63 105.19 117.78 1bve n GLY 78 Ca -0.12 -1.20 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 1bve n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bve n PRO 79 N 0.00 1.49 -2.99 1.61 -0.04 -1.23 0.98 135.00 134.81 1bve n PRO 79 Ca 0.00 -0.63 -0.40 0.00 -0.04 0.00 0.00 63.50 62.44 1bve n PRO 79 Cb 0.00 -1.45 -0.05 0.00 -0.04 0.00 0.00 33.50 31.95 1bve n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1bve s THR 80 N -0.06 4.63 -1.55 0.52 -1.32 -1.26 -4.92 115.64 111.67 1bve s THR 80 Ca 0.28 1.63 0.00 0.00 -1.21 0.00 0.00 61.69 62.40 1bve s THR 80 Cb 0.15 -4.11 0.00 0.00 -1.51 0.00 0.00 72.50 67.03 1bve s THR 80 CO -0.01 0.42 0.74 -0.81 -2.21 0.00 0.00 174.62 172.74 1bve n PRO 81 N 2.42 0.95 -3.63 7.08 -0.04 -1.26 -3.92 135.00 136.60 1bve n PRO 81 Ca -0.04 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.33 1bve n PRO 81 Cb 0.50 -1.22 -0.02 0.00 -0.04 0.00 0.00 33.50 32.72 1bve n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1bve s VAL 82 N -1.55 0.00 -0.22 0.52 1.01 -1.26 -5.01 120.40 113.89 1bve s VAL 82 Ca 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 1bve s VAL 82 Cb 0.00 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 1bve s VAL 82 CO 0.00 -0.00 0.13 0.20 0.00 0.00 0.00 175.10 175.42 1bve s ASN 83 N -2.83 5.93 -0.14 3.32 0.01 -1.26 -2.49 114.94 117.48 1bve s ASN 83 Ca 0.06 0.09 -0.01 0.00 -0.71 0.00 0.00 52.86 52.29 1bve s ASN 83 Cb -0.03 -2.06 -0.02 0.00 0.41 0.00 0.00 41.25 39.56 1bve s ASN 83 CO -0.04 0.09 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.90 1bve s ILE 84 N 0.88 3.18 -0.75 0.60 -1.09 -0.23 -1.48 121.20 122.30 1bve s ILE 84 Ca 0.06 -0.61 -0.11 0.00 -2.23 0.00 0.00 60.65 57.76 1bve s ILE 84 Cb -0.13 -2.35 0.20 0.00 -1.58 0.00 0.00 42.46 38.59 1bve s ILE 84 CO 0.03 0.51 0.66 -0.63 -1.23 0.00 0.00 174.94 174.28 1bve s ILE 85 N 0.46 5.05 0.80 2.92 1.09 -1.18 -0.36 121.20 129.98 1bve s ILE 85 Ca -0.08 -2.54 -0.09 0.00 -1.10 0.00 0.00 60.65 56.83 1bve s ILE 85 Cb -0.15 -4.16 0.12 0.00 -1.06 0.00 0.00 42.46 37.20 1bve s ILE 85 CO 0.04 -0.97 1.13 -0.83 -0.10 0.00 0.00 174.94 174.21 1bve s GLY 86 N 1.85 1.71 0.37 6.18 0.00 0.20 -1.09 107.32 116.53 1bve s GLY 86 Ca 0.17 -1.09 0.21 0.00 0.00 0.00 0.00 44.72 44.00 1bve s GLY 86 CO -0.07 -0.54 1.57 0.54 0.00 0.00 0.00 173.10 174.61 1bve n ARG 87 N -3.22 -0.06 -0.33 2.90 5.12 -0.69 -0.13 116.66 120.25 1bve n ARG 87 Ca 0.11 1.37 0.22 0.00 -1.93 0.00 0.00 57.85 57.62 1bve n ARG 87 Cb 0.60 -2.47 0.43 0.00 -1.16 0.00 0.00 32.46 29.87 1bve n ARG 87 CO 0.00 0.00 0.00 -2.95 -1.93 0.00 0.00 177.63 172.75 1bve h ASN 88 N 0.00 0.37 0.22 0.55 -1.07 -1.74 -0.96 115.58 112.95 1bve h ASN 88 Ca 0.85 0.20 -0.23 0.00 0.07 0.00 0.00 56.30 57.19 1bve h ASN 88 Cb 2.24 0.18 -0.04 0.00 -2.07 0.00 0.00 38.32 38.63 1bve h ASN 88 CO -0.76 -0.16 -1.99 0.18 0.07 0.00 0.00 177.43 174.76 1bve n LEU 89 N -5.11 0.29 -0.14 6.14 7.99 0.81 -4.09 117.00 122.89 1bve n LEU 89 Ca 0.30 0.13 0.01 0.00 -0.01 0.00 0.00 56.01 56.44 1bve n LEU 89 Cb 0.93 0.25 0.30 0.00 -0.11 0.00 0.00 43.42 44.79 1bve n LEU 89 CO 0.08 0.28 1.20 -0.07 -1.51 0.00 0.00 177.39 177.37 1bve h LEU 90 N 0.00 0.72 -1.41 2.23 -0.00 -0.71 0.19 115.31 116.33 1bve h LEU 90 Ca -0.30 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 57.53 1bve h LEU 90 Cb 1.77 -0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 42.25 1bve h LEU 90 CO 0.03 0.54 -0.08 0.71 -0.00 0.00 0.00 178.44 179.64 1bve h THR 91 N 0.85 0.22 -0.07 0.22 1.35 -1.54 0.21 112.91 114.15 1bve h THR 91 Ca 0.23 -0.70 -0.23 0.00 -0.55 0.00 0.00 66.41 65.16 1bve h THR 91 Cb -0.07 1.57 0.02 0.00 -1.73 0.00 0.00 68.15 67.94 1bve h THR 91 CO -0.05 0.08 -0.86 1.56 -0.25 0.00 0.00 175.52 176.00 1bve h GLN 92 N 0.00 0.70 0.00 4.72 1.08 -0.80 -3.12 115.11 117.69 1bve h GLN 92 Ca -0.00 -0.67 0.00 0.00 -1.45 0.00 0.00 58.65 56.53 1bve h GLN 92 Cb 0.56 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1bve h GLN 92 CO 0.01 1.26 -0.41 0.44 -0.95 0.00 0.00 178.83 179.18 1bve n ILE 93 N -3.95 0.26 -1.35 2.54 -5.35 -0.74 -4.93 119.36 105.84 1bve n ILE 93 Ca -0.09 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 1bve n ILE 93 Cb 0.79 -0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 1bve n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bve n GLY 94 N 1.39 0.63 3.75 3.28 0.00 0.56 -4.85 105.19 109.96 1bve n GLY 94 Ca 0.05 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 1bve n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bve n ALA 95 N -0.55 1.91 -3.65 4.61 0.00 -0.12 -4.99 120.51 117.73 1bve n ALA 95 Ca 0.00 0.23 -0.19 0.00 0.00 0.00 0.00 53.44 53.48 1bve n ALA 95 Cb 0.27 -2.38 -0.16 0.00 0.00 0.00 0.00 19.45 17.18 1bve n ALA 95 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1bve s THR 96 N -1.21 0.43 -0.63 0.00 -4.23 -1.26 -4.81 115.64 103.93 1bve s THR 96 Ca 0.62 -0.06 -0.20 0.00 -1.18 0.00 0.00 61.69 60.87 1bve s THR 96 Cb -0.45 -0.48 0.10 0.00 1.34 0.00 0.00 72.50 73.01 1bve s THR 96 CO 0.56 0.20 0.80 -0.76 -0.54 0.00 0.00 174.62 174.89 1bve s LEU 97 N 0.95 5.11 -0.20 4.79 1.02 -1.26 -5.01 118.68 124.08 1bve s LEU 97 Ca -0.11 -1.37 -0.05 0.00 0.02 0.00 0.00 54.13 52.62 1bve s LEU 97 Cb -0.14 -2.34 -0.03 0.00 0.02 0.00 0.00 46.19 43.70 1bve s LEU 97 CO -0.00 -1.20 0.01 0.20 0.02 0.00 0.00 176.35 175.38 1bve s ASN 98 N 3.62 4.91 0.00 2.29 0.02 -1.26 -5.32 114.94 119.20 1bve s ASN 98 Ca 0.16 -0.19 0.00 0.00 -1.02 0.00 0.00 52.86 51.81 1bve s ASN 98 Cb -0.21 -1.84 0.00 0.00 0.02 0.00 0.00 41.25 39.22 1bve s ASN 98 CO 0.06 0.06 0.00 2.22 0.02 0.00 0.00 177.10 179.46