#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 4.29 -0.24 0.54 0.74 -1.26 -5.04 119.66 118.68 1bve s GLN 2 Ca 0.00 0.97 -0.02 0.00 0.05 0.00 0.00 55.36 56.36 1bve s GLN 2 Cb 0.00 -2.72 0.12 0.00 1.10 0.00 0.00 33.01 31.50 1bve s GLN 2 CO 0.00 0.29 0.27 0.08 -0.55 0.00 0.00 175.29 175.38 1bve s VAL 3 N -1.68 -0.39 -0.11 1.34 1.01 -1.26 -4.99 120.40 114.32 1bve s VAL 3 Ca 0.48 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 62.09 1bve s VAL 3 Cb -0.15 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 1bve s VAL 3 CO 0.20 -0.31 -0.23 0.35 0.00 0.00 0.00 175.10 175.12 1bve n THR 4 N 5.32 1.29 -1.84 3.92 -2.24 -1.26 -4.93 114.28 114.54 1bve n THR 4 Ca -0.04 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1bve n THR 4 Cb 0.48 -1.99 0.00 0.00 -2.10 0.00 0.00 70.33 66.73 1bve n THR 4 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1bve n LEU 5 N -4.03 0.00 -2.04 3.22 7.94 -1.26 -2.87 117.00 117.97 1bve n LEU 5 Ca -0.16 0.33 0.00 0.00 -1.11 0.00 0.00 56.01 55.07 1bve n LEU 5 Cb 0.45 -0.68 0.00 0.00 0.53 0.00 0.00 43.42 43.72 1bve n LEU 5 CO 0.10 0.00 0.00 0.79 -1.11 0.00 0.00 177.39 177.17 1bve n TRP 6 N -1.70 0.00 -3.66 1.96 7.02 -1.26 -4.66 117.44 115.15 1bve n TRP 6 Ca 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.46 1bve n TRP 6 Cb 0.33 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.24 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 -0.79 0.40 -1.68 -0.99 1.13 -1.14 -5.11 117.38 109.20 1bve n GLN 7 Ca 0.00 -0.88 -0.46 0.00 -1.94 0.00 0.00 57.00 53.72 1bve n GLN 7 Cb 0.00 1.18 -0.04 0.00 0.11 0.00 0.00 30.24 31.48 1bve n GLN 7 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1bve n ARG 8 N -0.39 2.30 -1.75 -1.09 1.74 -1.26 -4.83 116.66 111.37 1bve n ARG 8 Ca -0.02 0.84 -0.42 0.00 -0.77 0.00 0.00 57.85 57.48 1bve n ARG 8 Cb 0.33 -2.66 -0.01 0.00 -1.02 0.00 0.00 32.46 29.10 1bve n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1bve n PRO 9 N 4.95 2.75 -2.49 5.56 -0.04 -1.26 -4.96 135.00 139.50 1bve n PRO 9 Ca 0.19 -2.59 -0.31 0.00 -0.04 0.00 0.00 63.50 60.76 1bve n PRO 9 Cb 0.31 -3.28 -0.02 0.00 -0.04 0.00 0.00 33.50 30.47 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 2.34 3.63 -0.14 1.53 1.02 -1.26 -2.84 118.68 122.97 1bve s LEU 10 Ca 0.49 1.32 -0.08 0.00 0.02 0.00 0.00 54.13 55.88 1bve s LEU 10 Cb 0.13 -4.26 0.05 0.00 0.02 0.00 0.00 46.19 42.14 1bve s LEU 10 CO -0.06 -0.57 0.34 0.68 0.02 0.00 0.00 176.35 176.76 1bve s VAL 11 N -2.64 -0.03 -0.67 -1.59 -7.23 -0.80 -4.92 120.40 102.51 1bve s VAL 11 Ca 0.54 0.11 -0.26 0.00 -1.81 0.00 0.00 61.98 60.57 1bve s VAL 11 Cb -0.10 -0.51 -0.06 0.00 0.56 0.00 0.00 36.38 36.27 1bve s VAL 11 CO 0.37 0.05 2.11 -0.89 -0.31 0.00 0.00 175.10 176.43 1bve s THR 12 N 1.31 3.23 0.25 5.32 2.01 -1.26 -1.89 115.64 124.60 1bve s THR 12 Ca -0.09 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.60 1bve s THR 12 Cb -0.09 -3.56 -0.09 0.00 0.01 0.00 0.00 72.50 68.77 1bve s THR 12 CO -0.11 -0.54 0.96 0.27 -0.69 0.00 0.00 174.62 174.52 1bve s ILE 13 N 11.04 4.00 -0.60 1.82 -4.36 -0.93 -4.47 121.20 127.70 1bve s ILE 13 Ca 0.80 2.01 -0.10 0.00 -0.26 0.00 0.00 60.65 63.10 1bve s ILE 13 Cb -0.13 -4.28 0.15 0.00 1.25 0.00 0.00 42.46 39.46 1bve s ILE 13 CO 0.16 0.48 0.49 -0.75 0.24 0.00 0.00 174.94 175.55 1bve s LYS 14 N -1.23 2.83 0.09 0.37 2.20 -0.67 -2.84 119.74 120.48 1bve s LYS 14 Ca 0.42 -2.10 0.10 0.00 -0.36 0.00 0.00 55.97 54.02 1bve s LYS 14 Cb -0.27 -4.05 -0.04 0.00 -1.51 0.00 0.00 37.83 31.97 1bve s LYS 14 CO 0.33 -1.23 -0.24 0.42 -0.36 0.00 0.00 175.35 174.27 1bve s ILE 15 N 0.78 2.40 -1.45 5.43 1.01 -0.90 -1.76 121.20 126.73 1bve s ILE 15 Ca 0.11 -1.52 -0.02 0.00 0.00 0.00 0.00 60.65 59.22 1bve s ILE 15 Cb -0.21 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.23 1bve s ILE 15 CO -0.03 0.21 0.27 0.61 0.00 0.00 0.00 174.94 176.00 1bve n GLY 16 N 1.25 -0.22 4.03 6.18 0.00 -1.26 0.30 105.19 115.47 1bve n GLY 16 Ca -0.17 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.23 -0.37 3.33 -0.02 0.00 -1.26 -4.93 105.19 99.71 1bve n GLY 17 Ca -0.31 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 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 -6.67 1.67 -0.16 1.61 -1.52 0.15 -5.16 119.66 109.57 1bve s GLN 18 Ca 0.44 -1.83 -0.07 0.00 -1.95 0.00 0.00 55.36 51.95 1bve s GLN 18 Cb -0.23 0.35 0.07 0.00 -0.22 0.00 0.00 33.01 32.98 1bve s GLN 18 CO 0.88 -0.63 0.35 -0.51 -0.25 0.00 0.00 175.29 175.13 1bve s LEU 19 N -3.28 -0.24 0.20 2.90 1.43 -1.26 -2.11 118.68 116.33 1bve s LEU 19 Ca 0.37 0.78 -0.00 0.00 -1.03 0.00 0.00 54.13 54.25 1bve s LEU 19 Cb 0.02 1.07 -0.04 0.00 0.03 0.00 0.00 46.19 47.27 1bve s LEU 19 CO 0.22 -0.21 0.10 -0.54 0.23 0.00 0.00 176.35 176.14 1bve s LYS 20 N 2.03 1.20 -0.33 1.70 3.01 -1.13 -4.96 119.74 121.26 1bve s LYS 20 Ca -0.04 -1.62 -0.28 0.00 -1.01 0.00 0.00 55.97 53.01 1bve s LYS 20 Cb -0.11 0.09 0.02 0.00 -1.01 0.00 0.00 37.83 36.82 1bve s LYS 20 CO -0.11 -0.32 1.05 -1.21 0.51 0.00 0.00 175.35 175.27 1bve s GLU 21 N -4.09 4.03 -0.02 1.68 0.41 -1.26 -2.18 118.70 117.27 1bve s GLU 21 Ca 0.35 0.99 -0.09 0.00 -0.41 0.00 0.00 54.97 55.81 1bve s GLU 21 Cb 0.07 -3.75 -0.05 0.00 -1.78 0.00 0.00 34.13 28.62 1bve s GLU 21 CO 0.10 -0.92 0.29 0.00 -0.49 0.00 0.00 175.26 174.24 1bve s ALA 22 N 3.64 3.81 -0.72 5.21 0.00 -0.80 -4.09 121.76 128.81 1bve s ALA 22 Ca 0.44 -0.49 -0.10 0.00 0.00 0.00 0.00 51.96 51.81 1bve s ALA 22 Cb -0.12 -2.14 0.19 0.00 0.00 0.00 0.00 23.12 21.05 1bve s ALA 22 CO 0.16 0.59 0.62 -1.17 0.00 0.00 0.00 175.76 175.96 1bve s LEU 23 N -1.45 6.17 -0.81 0.00 2.96 -0.40 -1.90 118.68 123.25 1bve s LEU 23 Ca 0.24 -2.63 -0.32 0.00 -0.22 0.00 0.00 54.13 51.20 1bve s LEU 23 Cb -0.14 -2.08 -0.18 0.00 0.50 0.00 0.00 46.19 44.28 1bve s LEU 23 CO 0.13 -0.53 2.55 0.18 -1.32 0.00 0.00 176.35 177.35 1bve n LEU 24 N 3.96 0.82 -4.11 -0.68 4.77 -1.13 -2.96 117.00 117.67 1bve n LEU 24 Ca 0.09 0.14 -0.37 0.00 -0.03 0.00 0.00 56.01 55.84 1bve n LEU 24 Cb 0.43 -1.05 -0.09 0.00 -2.33 0.00 0.00 43.42 40.38 1bve n LEU 24 CO 0.35 -0.87 0.05 -0.62 -1.33 0.00 0.00 177.39 174.97 1bve s ASP 25 N 9.05 5.35 0.04 -1.43 2.15 -0.65 -4.80 116.67 126.37 1bve s ASP 25 Ca 1.26 -2.76 0.11 0.00 0.43 0.00 0.00 52.55 51.59 1bve s ASP 25 Cb -1.08 -1.88 0.49 0.00 -0.30 0.00 0.00 42.92 40.15 1bve s ASP 25 CO 0.47 -0.40 1.36 0.41 -0.17 0.00 0.00 175.17 176.84 1bve n THR 26 N 3.63 1.28 -0.05 1.71 -1.04 -1.26 -2.34 114.28 116.21 1bve n THR 26 Ca 0.07 0.34 -0.14 0.00 -2.04 0.00 0.00 64.05 62.28 1bve n THR 26 Cb 0.39 -1.19 -0.07 0.00 -1.82 0.00 0.00 70.33 67.63 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 1.63 0.56 -1.04 3.41 0.00 -1.91 -3.44 103.07 102.27 1bve h GLY 27 Ca 0.00 -0.67 -0.49 0.00 0.00 0.00 0.00 47.33 46.18 1bve h GLY 27 CO 0.00 0.60 0.35 0.00 0.00 0.00 0.00 176.54 177.49 1bve s ALA 28 N -4.03 2.36 -0.48 3.60 0.00 -0.99 -4.99 121.76 117.24 1bve s ALA 28 Ca -0.13 -0.23 0.21 0.00 0.00 0.00 0.00 51.96 51.81 1bve s ALA 28 Cb 0.06 -3.09 -0.28 0.00 0.00 0.00 0.00 23.12 19.81 1bve s ALA 28 CO 0.80 -1.63 0.66 -0.25 0.00 0.00 0.00 175.76 175.34 1bve n ASP 29 N -3.36 0.54 -1.45 0.00 8.00 -1.26 -2.85 116.55 116.17 1bve n ASP 29 Ca 0.07 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.10 1bve n ASP 29 Cb 0.56 1.51 0.00 0.00 -0.02 0.00 0.00 41.12 43.17 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 -1.88 0.91 -4.15 -2.24 9.92 -1.26 -1.10 116.55 116.75 1bve n ASP 30 Ca -0.00 -1.00 -0.39 0.00 -0.53 0.00 0.00 54.79 52.87 1bve n ASP 30 Cb 0.44 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.84 1bve n ASP 30 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1bve s THR 31 N -1.54 4.13 1.01 -3.53 2.01 -1.14 -0.12 115.64 116.46 1bve s THR 31 Ca 0.00 -2.75 -0.14 0.00 0.31 0.00 0.00 61.69 59.11 1bve s THR 31 Cb 0.00 -3.66 0.19 0.00 0.01 0.00 0.00 72.50 69.04 1bve s THR 31 CO 0.00 -0.90 1.12 0.54 -0.69 0.00 0.00 174.62 174.70 1bve s VAL 32 N 0.12 1.93 -0.30 3.82 0.11 -0.25 -0.98 120.40 124.85 1bve s VAL 32 Ca 0.16 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.06 1bve s VAL 32 Cb -0.19 -2.61 0.16 0.00 -1.53 0.00 0.00 36.38 32.22 1bve s VAL 32 CO -0.04 0.00 0.96 -0.76 -3.33 0.00 0.00 175.10 171.93 1bve s LEU 33 N -6.38 -0.61 1.01 2.54 1.02 0.35 -1.54 118.68 115.08 1bve s LEU 33 Ca 0.66 0.86 -0.23 0.00 0.02 0.00 0.00 54.13 55.44 1bve s LEU 33 Cb -0.15 1.72 -0.13 0.00 0.02 0.00 0.00 46.19 47.65 1bve s LEU 33 CO 0.56 -0.12 -1.02 -1.84 0.02 0.00 0.00 176.35 173.95 1bve n GLU 34 N 4.76 -0.24 -1.52 1.70 0.28 -1.14 -2.39 120.64 122.10 1bve n GLU 34 Ca -0.11 -0.07 -0.38 0.00 -0.16 0.00 0.00 57.16 56.44 1bve n GLU 34 Cb 0.53 -1.15 0.04 0.00 1.43 0.00 0.00 31.44 32.29 1bve n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1bve n GLU 35 N 1.60 0.65 -0.21 3.44 0.00 0.52 -4.24 120.64 122.40 1bve n GLU 35 Ca -0.01 0.25 0.00 0.00 0.00 0.00 0.00 57.16 57.40 1bve n GLU 35 Cb 0.67 -1.86 0.00 0.00 0.00 0.00 0.00 31.44 30.25 1bve n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1bve n MET 36 N -0.37 0.00 -4.01 5.31 0.00 -1.26 -4.95 117.12 111.84 1bve n MET 36 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.51 1bve n MET 36 Cb 0.47 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.54 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 1.50 4.16 0.37 3.17 0.15 -1.26 -5.11 113.70 116.68 1bve s SER 37 Ca 0.00 -1.30 0.08 0.00 0.70 0.00 0.00 55.95 55.43 1bve s SER 37 Cb 0.00 -1.37 -0.04 0.00 -1.71 0.00 0.00 66.02 62.90 1bve s SER 37 CO 0.00 -0.21 0.19 -0.76 1.20 0.00 0.00 173.24 173.66 1bve s LEU 38 N 1.24 3.26 -1.30 3.45 2.01 -1.26 -4.80 118.68 121.29 1bve s LEU 38 Ca -0.07 -0.83 -0.14 0.00 0.01 0.00 0.00 54.13 53.10 1bve s LEU 38 Cb -0.19 -1.73 -0.04 0.00 0.01 0.00 0.00 46.19 44.23 1bve s LEU 38 CO -0.06 -0.41 2.32 -0.81 1.01 0.00 0.00 176.35 178.40 1bve n PRO 39 N -1.24 2.68 -0.82 1.29 -0.04 -1.26 -4.84 135.00 130.77 1bve n PRO 39 Ca -0.02 -2.23 0.00 0.00 -0.04 0.00 0.00 63.50 61.22 1bve n PRO 39 Cb 0.62 -3.01 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 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 4.03 0.00 0.00 0.55 0.00 -1.26 -4.92 105.19 103.59 1bve n GLY 40 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 1.60 0.00 -4.37 1.61 1.74 -1.26 -5.17 116.66 110.80 1bve n ARG 41 Ca 0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 1bve n ARG 41 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 1bve n ARG 41 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 1bve n TRP 42 N 0.00 0.05 -4.20 -1.55 4.27 -1.26 -4.22 117.44 110.53 1bve n TRP 42 Ca 0.00 -2.62 -0.12 0.00 -3.89 0.00 0.00 57.50 50.87 1bve n TRP 42 Cb 0.00 0.02 -0.10 0.00 -1.36 0.00 0.00 31.31 29.87 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 -3.53 1.08 0.28 -2.67 1.02 -1.07 -4.92 119.74 109.93 1bve s LYS 43 Ca 0.22 -1.54 -0.29 0.00 0.02 0.00 0.00 55.97 54.38 1bve s LYS 43 Cb 0.01 0.10 -0.09 0.00 -0.52 0.00 0.00 37.83 37.32 1bve s LYS 43 CO 0.16 -0.27 1.04 -1.25 -0.92 0.00 0.00 175.35 174.11 1bve s PRO 44 N -4.05 4.67 -0.24 -1.68 0.04 -1.26 -0.19 135.00 132.28 1bve s PRO 44 Ca 0.29 1.67 -0.26 0.00 0.04 0.00 0.00 61.00 62.75 1bve s PRO 44 Cb 0.07 -3.15 0.07 0.00 0.04 0.00 0.00 34.50 31.53 1bve s PRO 44 CO 0.06 0.28 0.72 0.21 0.04 0.00 0.00 177.00 178.31 1bve s LYS 45 N -1.47 0.86 0.00 4.56 2.20 -1.04 -4.69 119.74 120.16 1bve s LYS 45 Ca 0.45 0.89 0.06 0.00 -0.36 0.00 0.00 55.97 57.01 1bve s LYS 45 Cb -0.29 0.42 -0.02 0.00 -1.51 0.00 0.00 37.83 36.43 1bve s LYS 45 CO 0.37 -0.13 -0.18 -1.64 -0.36 0.00 0.00 175.35 173.40 1bve s MET 46 N 0.16 1.42 -0.01 4.03 -1.94 -1.26 -0.25 119.30 121.45 1bve s MET 46 Ca -0.01 -0.73 0.08 0.00 -1.71 0.00 0.00 55.69 53.31 1bve s MET 46 Cb -0.04 -1.41 -0.02 0.00 2.01 0.00 0.00 34.83 35.36 1bve s MET 46 CO 0.02 0.38 -0.24 0.96 -0.01 0.00 0.00 175.02 176.13 1bve s ILE 47 N -0.55 2.25 -0.33 2.53 -4.36 -1.12 -4.95 121.20 114.68 1bve s ILE 47 Ca 0.07 -1.11 0.02 0.00 -0.26 0.00 0.00 60.65 59.37 1bve s ILE 47 Cb -0.07 -1.82 0.09 0.00 1.25 0.00 0.00 42.46 41.90 1bve s ILE 47 CO 0.00 0.53 0.03 -0.83 0.24 0.00 0.00 174.94 174.91 1bve s GLY 48 N -0.79 1.86 0.00 6.27 0.00 -1.26 -1.32 107.32 112.08 1bve s GLY 48 Ca 0.11 -2.27 0.00 0.00 0.00 0.00 0.00 44.72 42.55 1bve s GLY 48 CO 0.00 0.85 0.00 0.61 0.00 0.00 0.00 173.10 174.56 1bve n GLY 49 N 4.39 2.53 3.64 0.20 0.00 -1.09 -4.97 105.19 109.89 1bve n GLY 49 Ca -0.03 -0.13 -0.43 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 3.75 4.48 0.00 -0.61 1.01 -1.26 -3.92 121.20 124.65 1bve s ILE 50 Ca 0.00 1.70 0.00 0.00 0.00 0.00 0.00 60.65 62.35 1bve s ILE 50 Cb 0.00 -4.40 0.00 0.00 0.01 0.00 0.00 42.46 38.07 1bve s ILE 50 CO 0.00 -0.48 0.00 0.61 0.00 0.00 0.00 174.94 175.07 1bve n GLY 51 N 3.90 3.19 0.00 6.18 0.00 -1.26 -5.00 105.19 112.20 1bve n GLY 51 Ca 0.12 -0.88 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 -0.64 3.75 -0.02 0.00 -1.25 -5.12 105.19 101.90 1bve n GLY 52 Ca 0.00 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.00 3.43 0.45 1.61 0.40 -1.26 -2.69 117.98 116.93 1bve s PHE 53 Ca 0.00 0.36 0.07 0.00 -0.60 0.00 0.00 56.93 56.76 1bve s PHE 53 Cb 0.00 -2.13 -0.02 0.00 0.51 0.00 0.00 43.02 41.38 1bve s PHE 53 CO 0.00 0.35 0.31 0.96 0.70 0.00 0.00 175.22 177.53 1bve s ILE 54 N 0.19 2.23 0.05 0.64 -4.36 -0.43 -4.96 121.20 114.56 1bve s ILE 54 Ca 0.09 -1.52 0.04 0.00 -0.26 0.00 0.00 60.65 59.00 1bve s ILE 54 Cb -0.11 -2.75 -0.04 0.00 1.25 0.00 0.00 42.46 40.81 1bve s ILE 54 CO -0.01 0.00 -0.04 -0.54 0.24 0.00 0.00 174.94 174.59 1bve s LYS 55 N -4.09 2.51 0.06 0.37 1.02 -1.26 -2.78 119.74 115.57 1bve s LYS 55 Ca 0.41 -0.80 -0.01 0.00 0.02 0.00 0.00 55.97 55.59 1bve s LYS 55 Cb -0.00 -2.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1bve s LYS 55 CO 0.24 0.57 0.09 1.33 -0.92 0.00 0.00 175.35 176.65 1bve n VAL 56 N 1.03 0.00 -3.60 3.17 0.24 0.65 -3.38 118.33 116.44 1bve n VAL 56 Ca -0.13 -0.26 -0.26 0.00 -2.04 0.00 0.00 64.34 61.65 1bve n VAL 56 Cb 0.52 0.17 -0.17 0.00 -1.47 0.00 0.00 33.84 32.90 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 0.08 -0.47 7.34 0.52 0.80 -2.51 118.95 122.60 1bve s ARG 57 Ca 0.04 -0.13 -0.27 0.00 -0.52 0.00 0.00 55.73 54.86 1bve s ARG 57 Cb -0.00 -1.74 -0.04 0.00 0.52 0.00 0.00 34.95 33.69 1bve s ARG 57 CO 0.03 -0.71 2.03 -1.14 0.02 0.00 0.00 175.30 175.53 1bve s GLN 58 N 2.14 2.70 -0.19 3.54 0.74 0.73 -1.94 119.66 127.38 1bve s GLN 58 Ca 0.03 1.16 -0.19 0.00 0.05 0.00 0.00 55.36 56.41 1bve s GLN 58 Cb -0.16 -4.39 -0.03 0.00 1.10 0.00 0.00 33.01 29.52 1bve s GLN 58 CO -0.12 -2.61 0.52 0.71 -0.55 0.00 0.00 175.29 173.24 1bve s TYR 59 N 9.32 3.38 -0.20 1.67 2.02 -0.88 -2.61 117.35 130.05 1bve s TYR 59 Ca 0.82 0.79 -0.05 0.00 -0.37 0.00 0.00 57.07 58.26 1bve s TYR 59 Cb -0.18 -2.67 -0.02 0.00 -0.40 0.00 0.00 41.96 38.69 1bve s TYR 59 CO 0.27 -0.08 -0.01 -0.51 -1.57 0.00 0.00 175.55 173.64 1bve s ASP 60 N 1.11 4.70 0.00 2.29 1.11 -1.26 -0.99 116.67 123.63 1bve s ASP 60 Ca 0.24 -0.24 0.00 0.00 0.18 0.00 0.00 52.55 52.74 1bve s ASP 60 Cb -0.15 -1.80 0.00 0.00 1.07 0.00 0.00 42.92 42.04 1bve s ASP 60 CO 0.10 0.06 0.00 0.00 1.18 0.00 0.00 175.17 176.50 1bve n GLN 61 N 4.29 0.00 -3.90 8.23 1.13 -1.17 -4.98 117.38 120.98 1bve n GLN 61 Ca -0.17 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.54 1bve n GLN 61 Cb 0.52 -1.13 -0.14 0.00 0.11 0.00 0.00 30.24 29.60 1bve n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1bve s ILE 62 N -2.64 3.38 -1.04 5.09 -1.09 -0.63 -4.80 121.20 119.48 1bve s ILE 62 Ca 0.00 -0.50 -0.24 0.00 -2.23 0.00 0.00 60.65 57.68 1bve s ILE 62 Cb 0.00 -2.54 -0.10 0.00 -1.58 0.00 0.00 42.46 38.24 1bve s ILE 62 CO 0.00 0.42 2.01 -0.22 -1.23 0.00 0.00 174.94 175.92 1bve s LEU 63 N 1.48 2.97 -0.27 2.97 1.98 -1.26 -1.87 118.68 124.68 1bve s LEU 63 Ca 0.06 -1.06 -0.22 0.00 -2.89 0.00 0.00 54.13 50.01 1bve s LEU 63 Cb -0.14 -2.58 -0.01 0.00 0.66 0.00 0.00 46.19 44.12 1bve s LEU 63 CO -0.03 -3.30 0.72 -0.51 -1.89 0.00 0.00 176.35 171.34 1bve s ILE 64 N 11.97 4.90 -0.38 6.68 2.07 0.58 -4.23 121.20 142.79 1bve s ILE 64 Ca 0.73 1.22 -0.20 0.00 -1.41 0.00 0.00 60.65 60.99 1bve s ILE 64 Cb -0.05 -4.04 0.01 0.00 0.13 0.00 0.00 42.46 38.51 1bve s ILE 64 CO 0.09 -0.08 0.62 -0.70 -1.91 0.00 0.00 174.94 172.96 1bve s GLU 65 N 2.71 3.56 -0.27 3.50 2.12 -0.72 -2.19 118.70 127.41 1bve s GLU 65 Ca 0.30 -0.09 -0.08 0.00 0.36 0.00 0.00 54.97 55.46 1bve s GLU 65 Cb -0.15 -3.85 -0.02 0.00 0.26 0.00 0.00 34.13 30.37 1bve s GLU 65 CO 0.10 -0.80 0.09 0.42 -0.54 0.00 0.00 175.26 174.52 1bve s ILE 66 N 2.71 4.29 -1.59 -3.70 1.09 -0.88 -1.67 121.20 121.45 1bve s ILE 66 Ca 0.23 -0.31 0.00 0.00 -1.10 0.00 0.00 60.65 59.47 1bve s ILE 66 Cb -0.14 -3.08 0.00 0.00 -1.06 0.00 0.00 42.46 38.18 1bve s ILE 66 CO 0.16 0.24 0.00 0.00 -0.10 0.00 0.00 174.94 175.24 1bve n GLY 68 N -1.08 0.74 3.61 0.00 0.00 -1.26 -5.03 105.19 102.18 1bve n GLY 68 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.82 3.26 0.15 1.61 4.02 -0.61 -5.03 115.29 115.87 1bve s HIS 69 Ca 0.00 0.32 -0.31 0.00 1.02 0.00 0.00 55.06 56.09 1bve s HIS 69 Cb 0.00 -2.47 -0.10 0.00 -1.02 0.00 0.00 32.58 28.98 1bve s HIS 69 CO 0.00 -0.15 1.72 0.21 1.02 0.00 0.00 174.74 177.54 1bve s LYS 70 N 1.77 4.16 -0.11 1.40 2.47 -1.26 -2.07 119.74 126.09 1bve s LYS 70 Ca 0.12 2.51 -0.09 0.00 -1.56 0.00 0.00 55.97 56.95 1bve s LYS 70 Cb -0.15 -3.36 0.03 0.00 -1.46 0.00 0.00 37.83 32.89 1bve s LYS 70 CO 0.09 -0.75 0.30 0.00 0.16 0.00 0.00 175.35 175.15 1bve s ALA 71 N 1.96 -0.73 0.27 3.13 0.00 -0.93 -4.93 121.76 120.52 1bve s ALA 71 Ca 0.76 0.92 0.09 0.00 0.00 0.00 0.00 51.96 53.72 1bve s ALA 71 Cb -0.46 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 1bve s ALA 71 CO 0.33 -0.16 0.08 0.42 0.00 0.00 0.00 175.76 176.44 1bve s ILE 72 N 0.44 3.77 0.00 0.00 -1.09 -1.26 0.22 121.20 123.28 1bve s ILE 72 Ca -0.02 -1.71 0.00 0.00 -2.23 0.00 0.00 60.65 56.69 1bve s ILE 72 Cb -0.04 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 37.79 1bve s ILE 72 CO -0.02 -0.35 0.00 0.61 -1.23 0.00 0.00 174.94 173.95 1bve n GLY 73 N -1.02 -0.62 3.62 6.18 0.00 -0.78 -4.83 105.19 107.74 1bve n GLY 73 Ca -0.07 -1.03 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.00 4.52 -0.35 2.61 2.01 -1.26 -1.61 115.64 119.57 1bve s THR 74 Ca 0.00 1.39 -0.07 0.00 0.31 0.00 0.00 61.69 63.32 1bve s THR 74 Cb 0.00 -4.39 0.04 0.00 0.01 0.00 0.00 72.50 68.16 1bve s THR 74 CO 0.00 -0.56 0.13 -0.69 -0.69 0.00 0.00 174.62 172.81 1bve s VAL 75 N 3.62 3.94 -0.08 3.82 1.01 -0.16 -2.88 120.40 129.67 1bve s VAL 75 Ca 0.42 -1.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 1bve s VAL 75 Cb -0.12 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 1bve s VAL 75 CO 0.19 -0.19 1.04 -0.76 0.00 0.00 0.00 175.10 175.37 1bve s LEU 76 N 1.43 4.27 -0.26 3.92 1.02 -0.15 -2.08 118.68 126.83 1bve s LEU 76 Ca -0.01 1.60 -0.04 0.00 0.02 0.00 0.00 54.13 55.70 1bve s LEU 76 Cb -0.19 -3.56 0.01 0.00 0.02 0.00 0.00 46.19 42.47 1bve s LEU 76 CO 0.04 -0.45 0.00 -0.69 0.02 0.00 0.00 176.35 175.27 1bve s VAL 77 N 1.90 3.47 0.00 -1.59 1.01 -0.82 0.13 120.40 124.50 1bve s VAL 77 Ca 0.50 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1bve s VAL 77 Cb -0.20 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1bve s VAL 77 CO 0.20 0.22 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1bve n GLY 78 N 4.79 3.41 1.63 4.51 0.00 -1.00 -0.14 105.19 118.38 1bve n GLY 78 Ca -0.16 -1.24 -0.05 0.00 0.00 0.00 0.00 46.02 44.56 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 1.26 -2.82 1.61 -0.04 -1.22 0.20 135.00 134.00 1bve n PRO 79 Ca 0.00 -0.50 -0.40 0.00 -0.04 0.00 0.00 63.50 62.56 1bve n PRO 79 Cb 0.00 -1.20 -0.05 0.00 -0.04 0.00 0.00 33.50 32.20 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 -0.70 4.36 -1.42 0.52 -1.32 -1.26 -4.92 115.64 110.90 1bve s THR 80 Ca 0.10 1.95 0.00 0.00 -1.21 0.00 0.00 61.69 62.54 1bve s THR 80 Cb 0.08 -4.26 0.00 0.00 -1.51 0.00 0.00 72.50 66.80 1bve s THR 80 CO -0.00 0.42 0.63 -0.81 -2.21 0.00 0.00 174.62 172.65 1bve n PRO 81 N 2.14 0.89 -3.68 7.08 -0.04 -1.26 -3.92 135.00 136.22 1bve n PRO 81 Ca -0.01 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.37 1bve n PRO 81 Cb 0.48 -1.26 -0.02 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.42 0.00 -0.06 0.52 0.11 -1.26 -5.03 120.40 113.26 1bve s VAL 82 Ca 0.00 -0.55 -0.06 0.00 -2.93 0.00 0.00 61.98 58.44 1bve s VAL 82 Cb 0.00 -1.60 -0.04 0.00 -1.53 0.00 0.00 36.38 33.21 1bve s VAL 82 CO 0.00 0.00 0.18 0.20 -3.33 0.00 0.00 175.10 172.15 1bve s ASN 83 N -2.83 6.42 -0.16 3.54 0.01 -1.26 -2.88 114.94 117.78 1bve s ASN 83 Ca 0.07 0.46 -0.02 0.00 -0.71 0.00 0.00 52.86 52.67 1bve s ASN 83 Cb -0.03 -2.06 0.05 0.00 0.41 0.00 0.00 41.25 39.62 1bve s ASN 83 CO -0.01 0.34 0.00 -0.63 -1.51 0.00 0.00 177.10 175.29 1bve s ILE 84 N -1.16 0.66 -0.82 0.60 -1.09 -0.59 -1.28 121.20 117.52 1bve s ILE 84 Ca 0.21 -0.44 -0.18 0.00 -2.23 0.00 0.00 60.65 58.01 1bve s ILE 84 Cb -0.13 -1.00 0.14 0.00 -1.58 0.00 0.00 42.46 39.89 1bve s ILE 84 CO 0.11 -0.02 0.95 -0.63 -1.23 0.00 0.00 174.94 174.12 1bve s ILE 85 N 1.82 4.90 0.00 2.92 -1.09 -1.15 -1.09 121.20 127.50 1bve s ILE 85 Ca 0.01 -1.54 0.00 0.00 -2.23 0.00 0.00 60.65 56.89 1bve s ILE 85 Cb -0.16 -4.65 0.00 0.00 -1.58 0.00 0.00 42.46 36.08 1bve s ILE 85 CO -0.07 -1.32 0.00 0.61 -1.23 0.00 0.00 174.94 172.92 1bve n GLY 86 N 5.11 0.19 0.33 6.18 0.00 0.83 -1.64 105.19 116.19 1bve n GLY 86 Ca 0.12 -1.67 -0.05 0.00 0.00 0.00 0.00 46.02 44.43 1bve n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bve h ARG 87 N 0.00 1.09 -0.78 1.61 3.08 -1.37 -1.60 114.38 116.41 1bve h ARG 87 Ca 0.00 -0.21 0.23 0.00 0.07 0.00 0.00 59.98 60.07 1bve h ARG 87 Cb 0.00 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 1bve h ARG 87 CO 0.00 0.91 0.77 -2.95 -1.07 0.00 0.00 179.97 177.63 1bve h ASN 88 N 1.06 0.00 0.00 7.04 -1.07 -1.37 0.15 115.58 121.40 1bve h ASN 88 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.61 1bve h ASN 88 Cb 0.24 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.49 1bve h ASN 88 CO -0.02 0.00 -0.67 0.18 0.07 0.00 0.00 177.43 177.00 1bve n LEU 89 N -3.68 0.26 -0.01 6.14 7.99 -0.97 -4.37 117.00 122.36 1bve n LEU 89 Ca 0.16 -0.35 0.15 0.00 -0.01 0.00 0.00 56.01 55.96 1bve n LEU 89 Cb 1.04 0.00 0.73 0.00 -0.11 0.00 0.00 43.42 45.08 1bve n LEU 89 CO 0.29 0.07 1.00 0.18 -1.51 0.00 0.00 177.39 177.42 1bve n LEU 90 N -1.36 0.06 -0.01 2.23 4.77 0.46 -2.77 117.00 120.39 1bve n LEU 90 Ca 0.01 0.25 0.10 0.00 -0.03 0.00 0.00 56.01 56.34 1bve n LEU 90 Cb 0.15 -0.28 -0.15 0.00 -2.33 0.00 0.00 43.42 40.81 1bve n LEU 90 CO 0.16 0.01 -0.53 0.35 -1.33 0.00 0.00 177.39 176.05 1bve n THR 91 N -1.25 0.00 0.09 -5.08 -2.24 -0.76 -1.22 114.28 103.81 1bve n THR 91 Ca 0.14 -0.34 -0.23 0.00 -2.27 0.00 0.00 64.05 61.35 1bve n THR 91 Cb 0.25 0.32 -0.15 0.00 -2.10 0.00 0.00 70.33 68.65 1bve n THR 91 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1bve h GLN 92 N 0.00 0.43 -0.01 -0.78 1.08 -1.72 -3.29 115.11 110.82 1bve h GLN 92 Ca 0.00 -0.74 0.00 0.00 -1.45 0.00 0.00 58.65 56.46 1bve h GLN 92 Cb 0.82 0.27 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 1bve h GLN 92 CO 0.00 1.35 -0.14 0.44 -0.95 0.00 0.00 178.83 179.53 1bve n ILE 93 N -3.70 0.00 -2.56 2.54 -5.35 -1.17 -4.95 119.36 104.18 1bve n ILE 93 Ca -0.22 -0.11 -0.09 0.00 -0.27 0.00 0.00 62.75 62.07 1bve n ILE 93 Cb 1.06 0.16 0.04 0.00 -1.74 0.00 0.00 39.64 39.16 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 1.27 -0.15 3.82 3.28 0.00 -1.23 -4.90 105.19 107.28 1bve n GLY 94 Ca 0.15 0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.21 3.16 -0.07 4.61 0.00 -0.36 -5.02 121.76 120.88 1bve s ALA 95 Ca 0.17 0.30 -0.03 0.00 0.00 0.00 0.00 51.96 52.40 1bve s ALA 95 Cb -0.02 -3.03 0.04 0.00 0.00 0.00 0.00 23.12 20.11 1bve s ALA 95 CO 0.40 0.20 0.14 0.95 0.00 0.00 0.00 175.76 177.45 1bve s THR 96 N -2.01 -0.16 -0.50 0.00 -4.23 -1.26 -4.92 115.64 102.55 1bve s THR 96 Ca 0.57 0.29 -0.25 0.00 -1.18 0.00 0.00 61.69 61.12 1bve s THR 96 Cb -0.11 -0.25 0.03 0.00 1.34 0.00 0.00 72.50 73.51 1bve s THR 96 CO 0.16 0.12 0.96 -0.76 -0.54 0.00 0.00 174.62 174.56 1bve s LEU 97 N 1.82 3.99 -0.23 4.79 1.02 -1.26 -5.00 118.68 123.81 1bve s LEU 97 Ca -0.02 -0.05 -0.06 0.00 0.02 0.00 0.00 54.13 54.02 1bve s LEU 97 Cb -0.12 -3.06 -0.03 0.00 0.02 0.00 0.00 46.19 43.00 1bve s LEU 97 CO -0.05 -1.16 0.04 0.20 0.02 0.00 0.00 176.35 175.40 1bve s ASN 98 N 2.54 5.00 0.00 2.29 0.02 -1.26 -5.31 114.94 118.23 1bve s ASN 98 Ca 0.35 -0.20 0.00 0.00 -1.02 0.00 0.00 52.86 51.99 1bve s ASN 98 Cb -0.11 -1.88 0.00 0.00 0.02 0.00 0.00 41.25 39.28 1bve s ASN 98 CO 0.24 0.01 0.07 2.22 0.02 0.00 0.00 177.10 179.66