#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 4.33 -0.10 -0.52 -0.44 -1.26 -5.06 119.66 116.61 1bve s GLN 2 Ca 0.00 0.97 -0.04 0.00 -2.50 0.00 0.00 55.36 53.78 1bve s GLN 2 Cb 0.00 -2.90 0.05 0.00 -1.64 0.00 0.00 33.01 28.52 1bve s GLN 2 CO 0.00 0.39 0.21 0.08 0.50 0.00 0.00 175.29 176.47 1bve s VAL 3 N -1.50 -0.24 -0.22 1.34 1.01 -1.26 -4.99 120.40 114.53 1bve s VAL 3 Ca 0.43 0.26 0.22 0.00 0.00 0.00 0.00 61.98 62.89 1bve s VAL 3 Cb -0.18 -0.36 0.22 0.00 0.00 0.00 0.00 36.38 36.06 1bve s VAL 3 CO 0.22 0.11 1.66 0.35 0.00 0.00 0.00 175.10 177.44 1bve n THR 4 N 4.97 1.04 -1.14 3.92 -2.24 -1.26 -4.80 114.28 114.76 1bve n THR 4 Ca -0.12 0.71 -0.05 0.00 -2.27 0.00 0.00 64.05 62.32 1bve n THR 4 Cb 0.51 -1.71 -0.02 0.00 -2.10 0.00 0.00 70.33 67.01 1bve n THR 4 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1bve n LEU 5 N -2.25 -0.25 0.08 3.22 4.77 -1.26 -4.86 117.00 116.45 1bve n LEU 5 Ca -0.01 0.12 0.08 0.00 -0.03 0.00 0.00 56.01 56.16 1bve n LEU 5 Cb 0.04 -1.22 0.37 0.00 -2.33 0.00 0.00 43.42 40.28 1bve n LEU 5 CO 0.10 -0.34 0.75 0.79 -1.33 0.00 0.00 177.39 177.36 1bve n TRP 6 N -2.77 0.43 -4.13 -1.77 5.03 -1.26 -4.74 117.44 108.23 1bve n TRP 6 Ca -0.05 0.19 -0.16 0.00 3.03 0.00 0.00 57.50 60.52 1bve n TRP 6 Cb 0.20 -0.81 -0.05 0.00 -1.03 0.00 0.00 31.31 29.62 1bve n TRP 6 CO 0.00 0.00 0.00 -0.65 -0.03 0.00 0.00 177.69 177.01 1bve s GLN 7 N -3.23 1.90 -0.23 -0.99 -1.52 -1.26 -5.11 119.66 109.21 1bve s GLN 7 Ca 0.02 -1.82 -0.29 0.00 -1.95 0.00 0.00 55.36 51.32 1bve s GLN 7 Cb 0.07 0.42 -0.01 0.00 -0.22 0.00 0.00 33.01 33.26 1bve s GLN 7 CO 0.23 -0.77 1.43 1.03 -0.25 0.00 0.00 175.29 176.96 1bve s ARG 8 N -3.10 3.94 -1.24 2.91 0.52 -1.26 -4.91 118.95 115.81 1bve s ARG 8 Ca 0.33 1.52 -0.19 0.00 -0.52 0.00 0.00 55.73 56.86 1bve s ARG 8 Cb 0.00 -3.92 -0.00 0.00 0.52 0.00 0.00 34.95 31.54 1bve s ARG 8 CO 0.22 -1.10 1.88 -0.35 0.02 0.00 0.00 175.30 175.97 1bve n PRO 9 N 7.32 2.50 -1.95 3.54 -0.04 -1.26 -4.96 135.00 140.14 1bve n PRO 9 Ca 0.16 -2.81 -0.29 0.00 -0.04 0.00 0.00 63.50 60.52 1bve n PRO 9 Cb 0.46 -3.49 0.07 0.00 -0.04 0.00 0.00 33.50 30.49 1bve n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bve s LEU 10 N 5.81 2.71 -0.15 1.53 1.02 -1.26 -2.88 118.68 125.46 1bve s LEU 10 Ca 0.58 0.86 -0.08 0.00 0.02 0.00 0.00 54.13 55.51 1bve s LEU 10 Cb 0.05 -3.49 0.06 0.00 0.02 0.00 0.00 46.19 42.82 1bve s LEU 10 CO 0.08 -1.64 0.37 0.68 0.02 0.00 0.00 176.35 175.86 1bve s VAL 11 N -3.44 -0.03 -0.81 -1.59 -7.23 -0.54 -4.90 120.40 101.86 1bve s VAL 11 Ca 0.60 0.11 -0.25 0.00 -1.81 0.00 0.00 61.98 60.63 1bve s VAL 11 Cb -0.11 -0.55 -0.07 0.00 0.56 0.00 0.00 36.38 36.21 1bve s VAL 11 CO 0.49 0.04 2.07 -0.89 -0.31 0.00 0.00 175.10 176.51 1bve s THR 12 N 1.37 3.30 0.18 5.32 2.01 -1.26 -1.78 115.64 124.78 1bve s THR 12 Ca -0.10 -0.18 -0.20 0.00 0.31 0.00 0.00 61.69 61.53 1bve s THR 12 Cb -0.09 -3.71 -0.08 0.00 0.01 0.00 0.00 72.50 68.64 1bve s THR 12 CO -0.12 -0.67 0.68 0.27 -0.69 0.00 0.00 174.62 174.10 1bve s ILE 13 N 11.16 4.61 -0.51 1.82 -4.36 -0.87 -4.36 121.20 128.68 1bve s ILE 13 Ca 0.77 1.28 -0.07 0.00 -0.26 0.00 0.00 60.65 62.36 1bve s ILE 13 Cb -0.10 -3.89 0.13 0.00 1.25 0.00 0.00 42.46 39.85 1bve s ILE 13 CO 0.06 0.33 0.36 -0.75 0.24 0.00 0.00 174.94 175.18 1bve s LYS 14 N -1.69 2.48 -0.04 0.37 2.47 -0.84 -2.47 119.74 120.03 1bve s LYS 14 Ca 0.39 -1.95 0.05 0.00 -1.56 0.00 0.00 55.97 52.89 1bve s LYS 14 Cb -0.18 -3.87 -0.02 0.00 -1.46 0.00 0.00 37.83 32.30 1bve s LYS 14 CO 0.21 -1.18 -0.17 0.42 0.16 0.00 0.00 175.35 174.79 1bve s ILE 15 N 1.00 2.80 -0.89 5.43 -1.09 -0.95 -2.51 121.20 125.00 1bve s ILE 15 Ca 0.09 -0.85 0.00 0.00 -2.23 0.00 0.00 60.65 57.66 1bve s ILE 15 Cb -0.23 -2.08 0.00 0.00 -1.58 0.00 0.00 42.46 38.57 1bve s ILE 15 CO -0.02 0.57 0.00 0.61 -1.23 0.00 0.00 174.94 174.87 1bve n GLY 16 N 2.28 -0.39 2.26 6.18 0.00 -1.26 0.11 105.19 114.36 1bve n GLY 16 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.71 0.34 3.38 -0.02 0.00 -1.26 -4.79 105.19 102.12 1bve n GLY 17 Ca -0.12 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 1bve n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bve s GLN 18 N -5.30 1.85 -0.11 1.61 1.11 0.12 -5.11 119.66 113.83 1bve s GLN 18 Ca 0.18 -2.10 -0.04 0.00 0.01 0.00 0.00 55.36 53.41 1bve s GLN 18 Cb -0.08 -0.02 0.06 0.00 -1.01 0.00 0.00 33.01 31.95 1bve s GLN 18 CO 0.22 -0.61 0.20 -0.51 0.01 0.00 0.00 175.29 174.60 1bve s LEU 19 N -3.48 -0.14 0.05 2.90 1.43 -1.26 -2.24 118.68 115.94 1bve s LEU 19 Ca 0.33 0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.81 1bve s LEU 19 Cb 0.02 0.41 -0.02 0.00 0.03 0.00 0.00 46.19 46.62 1bve s LEU 19 CO 0.23 -0.25 -0.08 -0.54 0.23 0.00 0.00 176.35 175.93 1bve s LYS 20 N 2.33 0.56 -0.40 1.70 3.01 -1.03 -4.95 119.74 120.96 1bve s LYS 20 Ca 0.03 -0.79 -0.29 0.00 -1.01 0.00 0.00 55.97 53.91 1bve s LYS 20 Cb -0.12 -0.35 0.02 0.00 -1.01 0.00 0.00 37.83 36.37 1bve s LYS 20 CO -0.07 0.06 1.18 -1.21 0.51 0.00 0.00 175.35 175.82 1bve s GLU 21 N -1.64 3.83 0.04 1.68 0.41 -1.26 -2.06 118.70 119.69 1bve s GLU 21 Ca -0.09 0.85 -0.16 0.00 -0.41 0.00 0.00 54.97 55.16 1bve s GLU 21 Cb -0.10 -3.87 -0.06 0.00 -1.78 0.00 0.00 34.13 28.32 1bve s GLU 21 CO 0.01 -1.24 0.47 0.00 -0.49 0.00 0.00 175.26 174.01 1bve s ALA 22 N 4.35 3.66 -0.69 5.21 0.00 -0.73 -4.44 121.76 129.12 1bve s ALA 22 Ca 0.50 -0.14 -0.19 0.00 0.00 0.00 0.00 51.96 52.14 1bve s ALA 22 Cb -0.11 -2.47 0.12 0.00 0.00 0.00 0.00 23.12 20.66 1bve s ALA 22 CO 0.26 0.46 0.81 -1.17 0.00 0.00 0.00 175.76 176.12 1bve s LEU 23 N -1.17 5.39 -0.57 0.00 2.96 -0.81 -1.47 118.68 123.00 1bve s LEU 23 Ca 0.27 -1.64 -0.39 0.00 -0.22 0.00 0.00 54.13 52.14 1bve s LEU 23 Cb -0.17 -2.32 -0.18 0.00 0.50 0.00 0.00 46.19 44.02 1bve s LEU 23 CO 0.16 -1.08 2.27 0.18 -1.32 0.00 0.00 176.35 176.56 1bve n LEU 24 N 6.24 0.94 -4.06 -0.68 4.77 -1.14 -3.04 117.00 120.03 1bve n LEU 24 Ca -0.00 0.50 -0.35 0.00 -0.03 0.00 0.00 56.01 56.13 1bve n LEU 24 Cb 0.44 -0.99 -0.10 0.00 -2.33 0.00 0.00 43.42 40.45 1bve n LEU 24 CO 0.55 -0.78 0.06 -0.62 -1.33 0.00 0.00 177.39 175.27 1bve s ASP 25 N 7.01 5.19 0.00 -1.43 -1.08 -0.22 -4.82 116.67 121.33 1bve s ASP 25 Ca 1.21 -3.11 0.17 0.00 -0.52 0.00 0.00 52.55 50.29 1bve s ASP 25 Cb -1.30 -1.82 0.84 0.00 -1.46 0.00 0.00 42.92 39.18 1bve s ASP 25 CO 0.59 -0.29 1.49 0.41 0.52 0.00 0.00 175.17 177.88 1bve n THR 26 N 3.10 0.51 0.04 1.71 -1.04 -1.25 -2.32 114.28 115.04 1bve n THR 26 Ca 0.11 0.13 -0.06 0.00 -2.04 0.00 0.00 64.05 62.18 1bve n THR 26 Cb 0.37 -0.85 -0.11 0.00 -1.82 0.00 0.00 70.33 67.91 1bve n THR 26 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1bve h GLY 27 N 2.75 0.00 -0.77 3.41 0.00 -1.89 -3.43 103.07 103.13 1bve h GLY 27 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 1bve h GLY 27 CO 0.00 0.00 0.37 0.00 0.00 0.00 0.00 176.54 176.91 1bve s ALA 28 N -2.71 2.35 -0.05 3.60 0.00 -0.98 -4.98 121.76 118.99 1bve s ALA 28 Ca -0.01 -0.51 0.22 0.00 0.00 0.00 0.00 51.96 51.66 1bve s ALA 28 Cb 0.09 -3.01 -0.33 0.00 0.00 0.00 0.00 23.12 19.87 1bve s ALA 28 CO 0.82 -1.81 0.48 -0.25 0.00 0.00 0.00 175.76 175.00 1bve n ASP 29 N -3.44 0.06 -0.94 0.00 8.00 -1.26 -2.79 116.55 116.19 1bve n ASP 29 Ca 0.07 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1bve n ASP 29 Cb 0.59 1.97 0.00 0.00 -0.02 0.00 0.00 41.12 43.67 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 -2.24 0.63 -4.12 -2.24 8.00 -1.26 -2.02 116.55 113.30 1bve n ASP 30 Ca -0.04 -0.72 -0.38 0.00 0.71 0.00 0.00 54.79 54.37 1bve n ASP 30 Cb 0.56 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.57 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 -1.31 3.95 1.10 -3.53 2.01 -1.16 0.78 115.64 117.47 1bve s THR 31 Ca 0.00 -2.98 -0.14 0.00 0.31 0.00 0.00 61.69 58.88 1bve s THR 31 Cb 0.00 -3.55 0.24 0.00 0.01 0.00 0.00 72.50 69.20 1bve s THR 31 CO 0.00 -0.91 1.08 0.54 -0.69 0.00 0.00 174.62 174.64 1bve s VAL 32 N -0.13 1.88 -0.30 3.82 0.11 0.57 -0.58 120.40 125.76 1bve s VAL 32 Ca 0.18 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.12 1bve s VAL 32 Cb -0.19 -2.41 0.17 0.00 -1.53 0.00 0.00 36.38 32.43 1bve s VAL 32 CO -0.04 0.00 0.89 -0.76 -3.33 0.00 0.00 175.10 171.86 1bve s LEU 33 N -6.77 -0.78 0.60 2.54 1.02 0.33 -1.33 118.68 114.30 1bve s LEU 33 Ca 0.67 0.70 -0.14 0.00 0.02 0.00 0.00 54.13 55.38 1bve s LEU 33 Cb -0.17 1.74 -0.12 0.00 0.02 0.00 0.00 46.19 47.65 1bve s LEU 33 CO 0.58 -0.15 -0.37 -1.84 0.02 0.00 0.00 176.35 174.60 1bve n GLU 34 N 5.30 0.00 -1.51 1.70 0.28 -1.13 -2.80 120.64 122.48 1bve n GLU 34 Ca -0.07 0.00 -0.51 0.00 -0.16 0.00 0.00 57.16 56.42 1bve n GLU 34 Cb 0.52 -0.81 -0.05 0.00 1.43 0.00 0.00 31.44 32.53 1bve n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1bve n GLU 35 N 1.61 0.57 -0.48 3.44 1.02 0.48 -4.44 120.64 122.85 1bve n GLU 35 Ca 0.03 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 1bve n GLU 35 Cb 0.42 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1bve n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bve n MET 36 N 1.47 0.00 -3.78 3.49 0.00 -1.26 -4.96 117.12 112.07 1bve n MET 36 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 57.70 57.50 1bve n MET 36 Cb 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 33.22 33.30 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 0.70 4.99 0.15 3.17 0.15 -1.26 -5.07 113.70 116.53 1bve s SER 37 Ca 0.00 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.26 1bve s SER 37 Cb 0.00 -1.88 -0.01 0.00 -1.71 0.00 0.00 66.02 62.42 1bve s SER 37 CO 0.00 -0.09 0.06 -0.11 1.20 0.00 0.00 173.24 174.30 1bve n LEU 38 N 4.89 0.00 0.00 3.45 7.94 -1.26 -4.44 117.00 127.57 1bve n LEU 38 Ca -0.16 -1.17 0.00 0.00 -1.11 0.00 0.00 56.01 53.57 1bve n LEU 38 Cb 0.50 0.41 0.00 0.00 0.53 0.00 0.00 43.42 44.86 1bve n LEU 38 CO 0.31 -0.18 0.00 -0.81 -1.11 0.00 0.00 177.39 175.60 1bve n PRO 39 N -0.34 0.59 -0.95 1.96 -0.04 -1.26 -4.99 135.00 129.99 1bve n PRO 39 Ca -0.02 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.38 1bve n PRO 39 Cb 0.23 0.00 0.18 0.00 -0.04 0.00 0.00 33.50 33.87 1bve n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bve n GLY 40 N 4.74 5.16 2.74 0.55 0.00 -1.26 -4.73 105.19 112.39 1bve n GLY 40 Ca 0.00 -1.45 -0.28 0.00 0.00 0.00 0.00 46.02 44.29 1bve n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bve n ARG 41 N -1.07 3.09 -3.36 1.61 5.12 -1.26 -5.04 116.66 115.74 1bve n ARG 41 Ca 0.34 -4.79 -0.14 0.00 -1.93 0.00 0.00 57.85 51.33 1bve n ARG 41 Cb 0.96 -2.26 -0.04 0.00 -1.16 0.00 0.00 32.46 29.96 1bve n ARG 41 CO 0.00 0.00 0.00 -2.67 -1.93 0.00 0.00 177.63 173.03 1bve n TRP 42 N 0.18 0.09 -4.05 -1.55 4.27 -1.26 -4.37 117.44 110.75 1bve n TRP 42 Ca 0.31 -1.48 -0.08 0.00 -3.89 0.00 0.00 57.50 52.36 1bve n TRP 42 Cb 0.39 -0.01 -0.10 0.00 -1.36 0.00 0.00 31.31 30.23 1bve n TRP 42 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 1bve s LYS 43 N -2.88 0.51 0.30 -2.67 1.02 -1.11 -4.96 119.74 109.95 1bve s LYS 43 Ca 0.11 -1.01 -0.28 0.00 0.02 0.00 0.00 55.97 54.81 1bve s LYS 43 Cb 0.01 0.16 -0.09 0.00 -0.52 0.00 0.00 37.83 37.38 1bve s LYS 43 CO 0.08 -0.09 1.06 -1.25 -0.92 0.00 0.00 175.35 174.23 1bve s PRO 44 N -3.06 4.56 0.24 -1.68 0.04 -1.26 -0.36 135.00 133.49 1bve s PRO 44 Ca -0.01 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 62.59 1bve s PRO 44 Cb 0.02 -3.04 -0.01 0.00 0.04 0.00 0.00 34.50 31.51 1bve s PRO 44 CO -0.07 0.18 0.42 0.21 0.04 0.00 0.00 177.00 177.79 1bve s LYS 45 N -1.67 1.50 -0.16 4.56 2.20 -0.89 -4.73 119.74 120.54 1bve s LYS 45 Ca 0.47 -1.32 -0.04 0.00 -0.36 0.00 0.00 55.97 54.72 1bve s LYS 45 Cb -0.28 0.44 0.07 0.00 -1.51 0.00 0.00 37.83 36.55 1bve s LYS 45 CO 0.36 -0.61 0.19 -1.64 -0.36 0.00 0.00 175.35 173.29 1bve s MET 46 N -4.02 0.13 0.10 4.03 -1.94 -1.26 -1.70 119.30 114.63 1bve s MET 46 Ca 0.25 0.33 -0.18 0.00 -1.71 0.00 0.00 55.69 54.38 1bve s MET 46 Cb 0.01 -0.90 -0.07 0.00 2.01 0.00 0.00 34.83 35.88 1bve s MET 46 CO 0.10 -0.52 0.57 0.96 -0.01 0.00 0.00 175.02 176.11 1bve s ILE 47 N 2.31 4.77 -0.22 2.53 -4.36 -0.94 -4.85 121.20 120.43 1bve s ILE 47 Ca 0.05 1.10 0.01 0.00 -0.26 0.00 0.00 60.65 61.55 1bve s ILE 47 Cb -0.14 -3.85 0.04 0.00 1.25 0.00 0.00 42.46 39.76 1bve s ILE 47 CO -0.10 0.45 -0.15 -0.83 0.24 0.00 0.00 174.94 174.56 1bve s GLY 48 N -1.31 1.53 0.00 6.27 0.00 -1.26 -0.52 107.32 112.03 1bve s GLY 48 Ca 0.32 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.57 1bve s GLY 48 CO 0.19 0.44 0.00 0.61 0.00 0.00 0.00 173.10 174.34 1bve n GLY 49 N 4.55 3.42 3.59 0.20 0.00 -1.08 -4.94 105.19 110.94 1bve n GLY 49 Ca -0.18 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 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 2.50 5.09 0.00 -0.61 1.01 -1.26 -4.11 121.20 123.82 1bve s ILE 50 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.22 1bve s ILE 50 Cb 0.00 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.64 1bve s ILE 50 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.56 1bve n GLY 51 N 4.64 0.98 0.00 6.18 0.00 -1.26 -4.94 105.19 110.79 1bve n GLY 51 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.00 0.98 3.82 -0.02 0.00 -1.26 -5.09 105.19 101.62 1bve n GLY 52 Ca 0.00 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.18 3.40 0.47 1.61 0.08 -1.26 -2.64 117.98 118.46 1bve s PHE 53 Ca 0.00 0.31 0.04 0.00 0.12 0.00 0.00 56.93 57.40 1bve s PHE 53 Cb 0.00 -1.81 0.04 0.00 -0.57 0.00 0.00 43.02 40.69 1bve s PHE 53 CO 0.00 0.61 0.37 0.44 -0.10 0.00 0.00 175.22 176.53 1bve n ILE 54 N 1.39 0.00 -4.46 0.64 -5.35 0.33 -4.89 119.36 107.01 1bve n ILE 54 Ca -0.14 -1.83 -0.34 0.00 -0.27 0.00 0.00 62.75 60.17 1bve n ILE 54 Cb 0.53 -0.13 -0.10 0.00 -1.74 0.00 0.00 39.64 38.20 1bve n ILE 54 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1bve s LYS 55 N -3.93 2.78 0.04 6.28 1.02 -1.26 -2.23 119.74 122.45 1bve s LYS 55 Ca 0.28 -0.55 -0.00 0.00 0.02 0.00 0.00 55.97 55.71 1bve s LYS 55 Cb -0.02 -2.64 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 1bve s LYS 55 CO 0.18 0.66 0.05 1.33 -0.92 0.00 0.00 175.35 176.65 1bve n VAL 56 N 1.91 0.00 -3.75 3.17 0.24 -0.69 -3.59 118.33 115.63 1bve n VAL 56 Ca -0.17 -0.21 -0.28 0.00 -2.04 0.00 0.00 64.34 61.64 1bve n VAL 56 Cb 0.53 0.13 -0.16 0.00 -1.47 0.00 0.00 33.84 32.86 1bve n VAL 56 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1bve s ARG 57 N -2.10 0.74 -0.64 7.34 0.52 0.28 -2.11 118.95 122.99 1bve s ARG 57 Ca 0.03 -0.58 -0.26 0.00 -0.52 0.00 0.00 55.73 54.40 1bve s ARG 57 Cb -0.00 -2.11 -0.06 0.00 0.52 0.00 0.00 34.95 33.30 1bve s ARG 57 CO 0.02 -0.70 2.13 -1.14 0.02 0.00 0.00 175.30 175.63 1bve s GLN 58 N 1.78 2.30 -0.20 3.54 0.74 0.52 -2.27 119.66 126.06 1bve s GLN 58 Ca 0.01 0.72 -0.20 0.00 0.05 0.00 0.00 55.36 55.94 1bve s GLN 58 Cb -0.17 -4.61 -0.03 0.00 1.10 0.00 0.00 33.01 29.30 1bve s GLN 58 CO -0.11 -3.25 0.60 0.71 -0.55 0.00 0.00 175.29 172.69 1bve s TYR 59 N 11.06 3.36 -0.13 1.67 2.02 -0.94 -2.75 117.35 131.65 1bve s TYR 59 Ca 0.81 0.87 -0.04 0.00 -0.37 0.00 0.00 57.07 58.34 1bve s TYR 59 Cb -0.13 -2.77 -0.04 0.00 -0.40 0.00 0.00 41.96 38.62 1bve s TYR 59 CO 0.17 -0.17 0.03 -0.51 -1.57 0.00 0.00 175.55 173.50 1bve s ASP 60 N 1.22 5.40 -0.32 2.29 1.11 -1.26 -0.81 116.67 124.29 1bve s ASP 60 Ca 0.27 0.11 -0.01 0.00 0.18 0.00 0.00 52.55 53.09 1bve s ASP 60 Cb -0.16 -1.75 -0.02 0.00 1.07 0.00 0.00 42.92 42.07 1bve s ASP 60 CO 0.10 0.28 0.29 0.00 1.18 0.00 0.00 175.17 177.01 1bve n GLN 61 N 2.83 -0.66 -4.75 8.23 3.00 -1.01 -4.97 117.38 120.05 1bve n GLN 61 Ca -0.18 0.47 -0.33 0.00 -0.01 0.00 0.00 57.00 56.95 1bve n GLN 61 Cb 0.53 -2.96 -0.16 0.00 0.00 0.00 0.00 30.24 27.65 1bve n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1bve s ILE 62 N -3.09 2.51 -1.00 5.09 -1.09 -0.31 -4.81 121.20 118.50 1bve s ILE 62 Ca 0.11 -0.84 -0.23 0.00 -2.23 0.00 0.00 60.65 57.46 1bve s ILE 62 Cb -0.01 -2.03 0.02 0.00 -1.58 0.00 0.00 42.46 38.85 1bve s ILE 62 CO 0.25 0.53 1.64 -0.22 -1.23 0.00 0.00 174.94 175.92 1bve s LEU 63 N 0.62 3.40 -0.39 2.97 0.20 -1.26 -1.05 118.68 123.17 1bve s LEU 63 Ca -0.10 -1.27 -0.21 0.00 0.69 0.00 0.00 54.13 53.24 1bve s LEU 63 Cb -0.16 -2.57 0.01 0.00 -0.43 0.00 0.00 46.19 43.04 1bve s LEU 63 CO 0.03 -1.94 0.67 -0.51 -0.29 0.00 0.00 176.35 174.31 1bve s ILE 64 N 6.77 4.83 -0.39 6.68 2.07 0.28 -4.30 121.20 137.15 1bve s ILE 64 Ca 0.55 0.48 -0.22 0.00 -1.41 0.00 0.00 60.65 60.05 1bve s ILE 64 Cb -0.02 -4.15 0.01 0.00 0.13 0.00 0.00 42.46 38.43 1bve s ILE 64 CO -0.05 -0.44 0.71 -0.70 -1.91 0.00 0.00 174.94 172.54 1bve s GLU 65 N 2.84 3.59 -0.15 3.50 2.12 -1.04 -1.86 118.70 127.70 1bve s GLU 65 Ca 0.25 0.04 -0.00 0.00 0.36 0.00 0.00 54.97 55.62 1bve s GLU 65 Cb -0.14 -3.85 -0.01 0.00 0.26 0.00 0.00 34.13 30.39 1bve s GLU 65 CO 0.17 -0.88 -0.14 0.42 -0.54 0.00 0.00 175.26 174.29 1bve s ILE 66 N 2.95 2.86 -1.34 -3.70 1.01 -0.92 -1.99 121.20 120.09 1bve s ILE 66 Ca 0.27 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1bve s ILE 66 Cb -0.14 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.12 1bve s ILE 66 CO 0.18 0.51 0.00 0.00 0.00 0.00 0.00 174.94 175.63 1bve n GLY 68 N -1.14 0.63 3.29 0.00 0.00 -1.26 -5.00 105.19 101.71 1bve n GLY 68 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.50 3.25 0.25 1.61 3.76 -0.60 -5.06 115.29 116.00 1bve s HIS 69 Ca 0.00 -1.36 -0.31 0.00 -0.15 0.00 0.00 55.06 53.25 1bve s HIS 69 Cb 0.00 -2.30 -0.14 0.00 1.11 0.00 0.00 32.58 31.25 1bve s HIS 69 CO 0.00 -0.72 1.27 1.17 -0.85 0.00 0.00 174.74 175.61 1bve n LYS 70 N 4.84 1.73 -3.59 1.40 4.81 -1.26 -2.15 118.16 123.92 1bve n LYS 70 Ca -0.12 0.61 -0.05 0.00 -0.87 0.00 0.00 58.31 57.87 1bve n LYS 70 Cb 0.45 -2.17 -0.07 0.00 0.02 0.00 0.00 35.03 33.26 1bve n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1bve s ALA 71 N -0.40 -1.49 0.30 3.14 0.00 -0.78 -4.88 121.76 117.65 1bve s ALA 71 Ca 0.66 1.72 -0.00 0.00 0.00 0.00 0.00 51.96 54.34 1bve s ALA 71 Cb -0.69 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 1bve s ALA 71 CO 0.54 -0.89 0.50 0.42 0.00 0.00 0.00 175.76 176.32 1bve s ILE 72 N 2.71 5.13 -0.64 0.00 -1.09 -1.26 0.10 121.20 126.14 1bve s ILE 72 Ca -0.00 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.01 1bve s ILE 72 Cb -0.13 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 1bve s ILE 72 CO -0.15 -0.42 0.00 0.61 -1.23 0.00 0.00 174.94 173.74 1bve n GLY 73 N -1.39 -1.26 3.55 6.18 0.00 -0.21 -4.84 105.19 107.22 1bve n GLY 73 Ca -0.05 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.99 4.87 -0.36 2.61 2.01 -1.26 -1.16 115.64 119.37 1bve s THR 74 Ca 0.00 0.44 -0.08 0.00 0.31 0.00 0.00 61.69 62.36 1bve s THR 74 Cb 0.00 -4.11 0.04 0.00 0.01 0.00 0.00 72.50 68.44 1bve s THR 74 CO 0.00 -0.40 0.15 -0.69 -0.69 0.00 0.00 174.62 172.99 1bve s VAL 75 N 2.74 4.04 -0.11 3.82 1.01 0.01 -2.99 120.40 128.91 1bve s VAL 75 Ca 0.24 -1.09 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 1bve s VAL 75 Cb -0.14 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 1bve s VAL 75 CO 0.16 -0.23 1.00 -0.76 0.00 0.00 0.00 175.10 175.27 1bve s LEU 76 N 1.44 4.24 -0.12 3.92 1.02 0.25 -2.21 118.68 127.22 1bve s LEU 76 Ca -0.00 1.51 -0.00 0.00 0.02 0.00 0.00 54.13 55.66 1bve s LEU 76 Cb -0.20 -3.54 -0.02 0.00 0.02 0.00 0.00 46.19 42.45 1bve s LEU 76 CO 0.04 -0.46 -0.12 -0.69 0.02 0.00 0.00 176.35 175.14 1bve s VAL 77 N 2.08 3.20 0.00 -1.59 1.01 -0.96 0.12 120.40 124.25 1bve s VAL 77 Ca 0.48 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1bve s VAL 77 Cb -0.18 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.86 1bve s VAL 77 CO 0.17 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.41 1bve n GLY 78 N 3.28 1.84 1.61 4.51 0.00 -1.12 0.99 105.19 116.31 1bve n GLY 78 Ca -0.18 -0.90 -0.04 0.00 0.00 0.00 0.00 46.02 44.90 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 1.22 -2.85 1.61 -0.04 -1.24 0.18 135.00 133.88 1bve n PRO 79 Ca 0.00 -0.37 -0.39 0.00 -0.04 0.00 0.00 63.50 62.70 1bve n PRO 79 Cb 0.00 -1.18 -0.06 0.00 -0.04 0.00 0.00 33.50 32.22 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 -0.37 4.22 -1.69 0.52 -1.32 -1.26 -4.92 115.64 110.81 1bve s THR 80 Ca 0.10 1.88 0.00 0.00 -1.21 0.00 0.00 61.69 62.47 1bve s THR 80 Cb 0.07 -4.20 0.00 0.00 -1.51 0.00 0.00 72.50 66.85 1bve s THR 80 CO -0.00 0.45 0.75 -0.81 -2.21 0.00 0.00 174.62 172.80 1bve n PRO 81 N 1.38 0.89 -3.58 7.08 -0.04 -1.26 -4.16 135.00 135.31 1bve n PRO 81 Ca -0.03 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.34 1bve n PRO 81 Cb 0.48 -1.14 -0.02 0.00 -0.04 0.00 0.00 33.50 32.79 1bve n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1bve s VAL 82 N -1.69 0.00 0.01 0.52 0.11 -1.26 -5.02 120.40 113.06 1bve s VAL 82 Ca 0.00 -0.32 -0.10 0.00 -2.93 0.00 0.00 61.98 58.63 1bve s VAL 82 Cb 0.00 -1.35 -0.05 0.00 -1.53 0.00 0.00 36.38 33.45 1bve s VAL 82 CO 0.00 0.00 0.32 0.20 -3.33 0.00 0.00 175.10 172.29 1bve s ASN 83 N -2.78 6.60 -0.08 3.54 0.01 -1.26 -2.83 114.94 118.15 1bve s ASN 83 Ca 0.05 0.72 0.00 0.00 -0.71 0.00 0.00 52.86 52.92 1bve s ASN 83 Cb -0.02 -2.15 0.02 0.00 0.41 0.00 0.00 41.25 39.50 1bve s ASN 83 CO -0.06 0.27 -0.06 -0.63 -1.51 0.00 0.00 177.10 175.11 1bve s ILE 84 N -1.23 0.78 -0.66 0.60 -1.09 -0.44 -1.93 121.20 117.23 1bve s ILE 84 Ca 0.26 -0.19 -0.12 0.00 -2.23 0.00 0.00 60.65 58.37 1bve s ILE 84 Cb -0.14 -0.80 0.17 0.00 -1.58 0.00 0.00 42.46 40.10 1bve s ILE 84 CO 0.14 0.30 0.57 -0.63 -1.23 0.00 0.00 174.94 174.10 1bve s ILE 85 N 1.34 4.99 0.44 2.92 1.09 -1.17 -0.31 121.20 130.49 1bve s ILE 85 Ca -0.03 -2.14 0.08 0.00 -1.10 0.00 0.00 60.65 57.45 1bve s ILE 85 Cb -0.14 -4.16 0.02 0.00 -1.06 0.00 0.00 42.46 37.12 1bve s ILE 85 CO -0.03 -0.92 0.58 -0.83 -0.10 0.00 0.00 174.94 173.64 1bve s GLY 86 N 2.45 1.94 0.03 6.18 0.00 0.23 -1.05 107.32 117.11 1bve s GLY 86 Ca 0.11 -1.75 0.01 0.00 0.00 0.00 0.00 44.72 43.10 1bve s GLY 86 CO -0.03 -1.54 0.13 0.54 0.00 0.00 0.00 173.10 172.20 1bve n ARG 87 N -1.87 -0.01 -0.29 2.90 1.74 -1.12 -0.04 116.66 117.98 1bve n ARG 87 Ca 0.08 0.12 0.08 0.00 -0.77 0.00 0.00 57.85 57.37 1bve n ARG 87 Cb 0.60 -0.21 0.24 0.00 -1.02 0.00 0.00 32.46 32.06 1bve n ARG 87 CO 0.00 0.00 0.00 -2.95 -1.52 0.00 0.00 177.63 173.16 1bve h ASN 88 N 0.00 0.44 0.14 0.55 -1.07 -1.65 -1.18 115.58 112.81 1bve h ASN 88 Ca 0.07 0.11 0.00 0.00 0.07 0.00 0.00 56.30 56.55 1bve h ASN 88 Cb 0.17 0.05 0.00 0.00 -2.07 0.00 0.00 38.32 36.47 1bve h ASN 88 CO -0.07 0.15 -0.97 0.18 0.07 0.00 0.00 177.43 176.79 1bve n LEU 89 N -4.93 0.81 0.02 6.14 7.99 0.95 -4.18 117.00 123.79 1bve n LEU 89 Ca 0.18 -0.33 -0.06 0.00 -0.01 0.00 0.00 56.01 55.78 1bve n LEU 89 Cb 0.48 -0.06 0.12 0.00 -0.11 0.00 0.00 43.42 43.86 1bve n LEU 89 CO 0.19 0.19 0.58 -0.07 -1.51 0.00 0.00 177.39 176.77 1bve h LEU 90 N 0.00 0.52 -0.77 2.23 4.07 -1.07 -2.02 115.31 118.28 1bve h LEU 90 Ca 0.00 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.72 1bve h LEU 90 Cb 0.55 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1bve h LEU 90 CO 0.00 0.89 0.00 0.71 -1.08 0.00 0.00 178.44 178.96 1bve h THR 91 N 0.40 0.00 0.12 0.22 1.35 -1.64 -0.58 112.91 112.78 1bve h THR 91 Ca 0.03 -0.28 -0.34 0.00 -0.55 0.00 0.00 66.41 65.26 1bve h THR 91 Cb 0.92 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.40 1bve h THR 91 CO 0.08 0.00 -1.83 1.56 -0.25 0.00 0.00 175.52 175.08 1bve h GLN 92 N 0.00 0.26 -0.00 4.72 1.08 -1.59 -3.31 115.11 116.27 1bve h GLN 92 Ca 0.00 -0.44 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 1bve h GLN 92 Cb 0.40 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1bve h GLN 92 CO 0.00 1.21 -0.02 0.44 -0.95 0.00 0.00 178.83 179.51 1bve n ILE 93 N -3.64 0.00 -3.46 2.54 -5.35 -0.86 -4.91 119.36 103.67 1bve n ILE 93 Ca -0.30 -0.04 -0.19 0.00 -0.27 0.00 0.00 62.75 61.94 1bve n ILE 93 Cb 1.00 -0.31 0.06 0.00 -1.74 0.00 0.00 39.64 38.65 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 1.12 -0.72 3.70 3.28 0.00 -0.29 -4.86 105.19 107.43 1bve n GLY 94 Ca 0.20 0.33 -0.40 0.00 0.00 0.00 0.00 46.02 46.14 1bve n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bve s ALA 95 N -3.46 3.39 -0.13 4.61 0.00 -0.83 -5.02 121.76 120.32 1bve s ALA 95 Ca 0.23 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.33 1bve s ALA 95 Cb -0.04 -3.08 0.01 0.00 0.00 0.00 0.00 23.12 20.01 1bve s ALA 95 CO 0.77 -0.31 -0.19 0.95 0.00 0.00 0.00 175.76 176.98 1bve s THR 96 N 1.31 1.81 -0.63 0.00 -4.23 -1.26 -4.93 115.64 107.71 1bve s THR 96 Ca 0.39 -0.83 -0.22 0.00 -1.18 0.00 0.00 61.69 59.85 1bve s THR 96 Cb -0.18 -1.62 0.08 0.00 1.34 0.00 0.00 72.50 72.12 1bve s THR 96 CO 0.17 0.50 0.88 -0.76 -0.54 0.00 0.00 174.62 174.87 1bve s LEU 97 N 0.92 4.66 -0.18 4.79 1.02 -1.26 -5.02 118.68 123.61 1bve s LEU 97 Ca -0.06 -1.08 -0.06 0.00 0.02 0.00 0.00 54.13 52.95 1bve s LEU 97 Cb -0.15 -2.41 -0.03 0.00 0.02 0.00 0.00 46.19 43.62 1bve s LEU 97 CO -0.02 -1.33 0.02 0.20 0.02 0.00 0.00 176.35 175.24 1bve s ASN 98 N 3.59 5.27 0.00 2.29 0.02 -1.26 -5.30 114.94 119.56 1bve s ASN 98 Ca 0.19 -0.02 0.00 0.00 -1.02 0.00 0.00 52.86 52.02 1bve s ASN 98 Cb -0.19 -1.89 0.00 0.00 0.02 0.00 0.00 41.25 39.19 1bve s ASN 98 CO 0.10 0.16 0.12 2.22 0.02 0.00 0.00 177.10 179.71