#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 4.50 -0.16 0.54 0.74 -1.26 -5.04 119.66 118.98 1bve s GLN 2 Ca 0.00 1.11 -0.03 0.00 0.05 0.00 0.00 55.36 56.49 1bve s GLN 2 Cb 0.00 -3.17 0.05 0.00 1.10 0.00 0.00 33.01 30.99 1bve s GLN 2 CO 0.00 0.53 0.04 0.08 -0.55 0.00 0.00 175.29 175.38 1bve s VAL 3 N -1.24 0.39 0.00 1.34 1.01 -1.26 -5.01 120.40 115.63 1bve s VAL 3 Ca 0.38 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1bve s VAL 3 Cb -0.22 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.34 1bve s VAL 3 CO 0.25 -0.10 0.00 0.35 0.00 0.00 0.00 175.10 175.60 1bve n THR 4 N 5.11 0.00 -3.31 3.92 -2.24 -1.26 -4.97 114.28 111.54 1bve n THR 4 Ca -0.08 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.46 1bve n THR 4 Cb 0.48 -0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 68.33 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 -1.23 -0.46 -2.39 3.22 -0.00 -1.26 -2.66 117.00 112.23 1bve n LEU 5 Ca 0.00 -0.59 0.00 0.00 -0.00 0.00 0.00 56.01 55.42 1bve n LEU 5 Cb 0.00 -1.08 0.00 0.00 -0.00 0.00 0.00 43.42 42.34 1bve n LEU 5 CO 0.00 0.06 0.00 0.79 -0.00 0.00 0.00 177.39 178.24 1bve n TRP 6 N -2.82 0.00 -3.52 1.47 7.02 -1.26 -4.74 117.44 113.59 1bve n TRP 6 Ca 0.07 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.49 1bve n TRP 6 Cb 0.35 0.00 0.00 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 -0.78 0.49 -2.05 -0.99 1.13 -1.09 -5.10 117.38 108.99 1bve n GLN 7 Ca 0.00 -1.19 -0.43 0.00 -1.94 0.00 0.00 57.00 53.44 1bve n GLN 7 Cb 0.00 1.36 -0.03 0.00 0.11 0.00 0.00 30.24 31.68 1bve n GLN 7 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1bve s ARG 8 N -2.16 3.81 -1.26 -1.09 0.52 -1.26 -4.88 118.95 112.63 1bve s ARG 8 Ca 0.10 1.77 -0.17 0.00 -0.52 0.00 0.00 55.73 56.91 1bve s ARG 8 Cb -0.02 -4.06 -0.01 0.00 0.52 0.00 0.00 34.95 31.39 1bve s ARG 8 CO 0.07 -1.29 2.05 -0.35 0.02 0.00 0.00 175.30 175.80 1bve n PRO 9 N 7.67 2.53 -2.68 3.54 -0.04 -1.26 -4.96 135.00 139.80 1bve n PRO 9 Ca 0.19 -2.56 -0.32 0.00 -0.04 0.00 0.00 63.50 60.78 1bve n PRO 9 Cb 0.45 -3.28 -0.05 0.00 -0.04 0.00 0.00 33.50 30.58 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 3.03 3.80 -0.03 1.53 1.02 -1.26 -2.07 118.68 124.69 1bve s LEU 10 Ca 0.52 1.49 0.00 0.00 0.02 0.00 0.00 54.13 56.16 1bve s LEU 10 Cb 0.11 -4.38 0.03 0.00 0.02 0.00 0.00 46.19 41.97 1bve s LEU 10 CO 0.01 -0.45 0.02 0.68 0.02 0.00 0.00 176.35 176.63 1bve s VAL 11 N -2.38 0.04 -0.82 -1.59 -7.23 -0.59 -4.91 120.40 102.91 1bve s VAL 11 Ca 0.58 0.18 -0.25 0.00 -1.81 0.00 0.00 61.98 60.68 1bve s VAL 11 Cb -0.10 -0.17 -0.06 0.00 0.56 0.00 0.00 36.38 36.62 1bve s VAL 11 CO 0.25 0.12 2.03 -0.89 -0.31 0.00 0.00 175.10 176.30 1bve s THR 12 N 1.14 3.34 0.22 5.32 2.01 -1.26 -1.76 115.64 124.65 1bve s THR 12 Ca -0.08 -0.20 -0.14 0.00 0.31 0.00 0.00 61.69 61.57 1bve s THR 12 Cb -0.13 -3.79 -0.08 0.00 0.01 0.00 0.00 72.50 68.52 1bve s THR 12 CO -0.03 -0.74 0.62 0.27 -0.69 0.00 0.00 174.62 174.05 1bve s ILE 13 N 10.82 4.79 -0.44 1.82 -4.36 -0.84 -4.15 121.20 128.83 1bve s ILE 13 Ca 0.75 0.84 -0.07 0.00 -0.26 0.00 0.00 60.65 61.90 1bve s ILE 13 Cb -0.09 -3.70 0.11 0.00 1.25 0.00 0.00 42.46 40.03 1bve s ILE 13 CO 0.05 0.07 0.29 -0.75 0.24 0.00 0.00 174.94 174.84 1bve s LYS 14 N -2.39 2.31 -0.06 0.37 2.20 -1.06 -1.98 119.74 119.12 1bve s LYS 14 Ca 0.44 -1.76 0.04 0.00 -0.36 0.00 0.00 55.97 54.33 1bve s LYS 14 Cb -0.13 -3.79 -0.02 0.00 -1.51 0.00 0.00 37.83 32.38 1bve s LYS 14 CO 0.20 -1.13 -0.20 0.42 -0.36 0.00 0.00 175.35 174.27 1bve s ILE 15 N 1.29 2.54 -1.68 5.43 1.01 -0.83 -2.78 121.20 126.17 1bve s ILE 15 Ca 0.06 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.82 1bve s ILE 15 Cb -0.25 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.25 1bve s ILE 15 CO -0.02 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.10 1bve n GLY 16 N 2.82 0.67 2.15 6.18 0.00 -1.26 -1.31 105.19 114.43 1bve n GLY 16 Ca -0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.92 0.65 1.73 -0.02 0.00 -1.26 -4.94 105.19 100.42 1bve n GLY 17 Ca -0.19 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 1bve n GLY 17 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bve n GLN 18 N -2.71 1.18 -3.97 1.61 3.00 -0.43 -5.13 117.38 110.93 1bve n GLN 18 Ca -0.03 -1.76 -0.15 0.00 -0.01 0.00 0.00 57.00 55.04 1bve n GLN 18 Cb 0.14 0.64 -0.15 0.00 0.00 0.00 0.00 30.24 30.86 1bve n GLN 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1bve s LEU 19 N 0.00 1.63 -0.03 1.08 1.43 -1.26 -1.97 118.68 119.57 1bve s LEU 19 Ca 0.04 -0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 52.96 1bve s LEU 19 Cb 0.00 -0.17 0.02 0.00 0.03 0.00 0.00 46.19 46.08 1bve s LEU 19 CO 0.03 -0.03 0.29 -0.54 0.23 0.00 0.00 176.35 176.33 1bve s LYS 20 N 0.42 0.61 -0.49 1.70 3.01 -0.84 -4.98 119.74 119.18 1bve s LYS 20 Ca -0.04 -0.13 -0.29 0.00 -1.01 0.00 0.00 55.97 54.50 1bve s LYS 20 Cb -0.07 0.27 0.02 0.00 -1.01 0.00 0.00 37.83 37.05 1bve s LYS 20 CO -0.01 -0.16 1.23 -1.21 0.51 0.00 0.00 175.35 175.71 1bve s GLU 21 N -1.14 3.62 -0.32 1.68 0.41 -1.26 -1.98 118.70 119.71 1bve s GLU 21 Ca -0.12 0.59 -0.16 0.00 -0.41 0.00 0.00 54.97 54.86 1bve s GLU 21 Cb -0.05 -3.97 -0.02 0.00 -1.78 0.00 0.00 34.13 28.31 1bve s GLU 21 CO 0.03 -1.52 0.43 0.00 -0.49 0.00 0.00 175.26 173.72 1bve s ALA 22 N 4.88 3.52 -0.56 5.21 0.00 -0.72 -4.07 121.76 130.02 1bve s ALA 22 Ca 0.51 -0.97 -0.27 0.00 0.00 0.00 0.00 51.96 51.22 1bve s ALA 22 Cb -0.09 -2.87 -0.01 0.00 0.00 0.00 0.00 23.12 20.16 1bve s ALA 22 CO 0.31 -0.98 1.66 -1.17 0.00 0.00 0.00 175.76 175.58 1bve s LEU 23 N 2.19 3.35 0.09 0.00 2.96 -0.37 -1.55 118.68 125.36 1bve s LEU 23 Ca 0.16 0.40 -0.36 0.00 -0.22 0.00 0.00 54.13 54.11 1bve s LEU 23 Cb -0.16 -2.85 -0.17 0.00 0.50 0.00 0.00 46.19 43.52 1bve s LEU 23 CO 0.11 -2.02 1.24 0.18 -1.32 0.00 0.00 176.35 174.55 1bve n LEU 24 N 11.10 1.28 -3.45 -0.68 4.77 -0.88 -2.96 117.00 126.17 1bve n LEU 24 Ca 0.17 1.13 -0.28 0.00 -0.03 0.00 0.00 56.01 56.99 1bve n LEU 24 Cb 0.50 -1.14 -0.11 0.00 -2.33 0.00 0.00 43.42 40.33 1bve n LEU 24 CO 0.71 -1.28 -0.31 -0.62 -1.33 0.00 0.00 177.39 174.55 1bve s ASP 25 N 0.28 2.49 0.10 -1.43 -1.08 -0.12 -4.80 116.67 112.11 1bve s ASP 25 Ca 0.83 -2.51 0.13 0.00 -0.52 0.00 0.00 52.55 50.48 1bve s ASP 25 Cb -0.99 -0.44 0.60 0.00 -1.46 0.00 0.00 42.92 40.62 1bve s ASP 25 CO 0.50 -0.26 1.41 0.41 0.52 0.00 0.00 175.17 177.75 1bve n THR 26 N 3.60 1.26 -0.04 1.71 -1.04 -1.26 -1.96 114.28 116.56 1bve n THR 26 Ca 0.18 0.39 -0.15 0.00 -2.04 0.00 0.00 64.05 62.43 1bve n THR 26 Cb 0.41 -1.29 -0.08 0.00 -1.82 0.00 0.00 70.33 67.55 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 1.36 0.49 -1.50 3.41 0.00 -1.91 -3.43 103.07 101.49 1bve h GLY 27 Ca 0.00 -0.65 -0.51 0.00 0.00 0.00 0.00 47.33 46.18 1bve h GLY 27 CO 0.00 0.58 0.36 0.00 0.00 0.00 0.00 176.54 177.48 1bve s ALA 28 N -3.78 2.62 -1.10 3.60 0.00 -0.83 -4.94 121.76 117.33 1bve s ALA 28 Ca -0.13 0.26 0.21 0.00 0.00 0.00 0.00 51.96 52.30 1bve s ALA 28 Cb 0.05 -3.22 -0.15 0.00 0.00 0.00 0.00 23.12 19.80 1bve s ALA 28 CO 0.80 -1.17 0.96 -0.25 0.00 0.00 0.00 175.76 176.10 1bve n ASP 29 N -2.76 1.05 -3.57 0.00 8.00 -1.26 -1.73 116.55 116.28 1bve n ASP 29 Ca 0.08 -0.99 -0.19 0.00 0.71 0.00 0.00 54.79 54.40 1bve n ASP 29 Cb 0.53 0.89 -0.08 0.00 -0.02 0.00 0.00 41.12 42.44 1bve n ASP 29 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1bve s ASP 30 N -2.95 1.65 -0.49 -2.24 -1.08 -1.26 -2.02 116.67 108.27 1bve s ASP 30 Ca 0.09 -1.70 -0.14 0.00 -0.52 0.00 0.00 52.55 50.28 1bve s ASP 30 Cb 0.16 0.53 0.10 0.00 -1.46 0.00 0.00 42.92 42.25 1bve s ASP 30 CO 0.83 -1.02 0.42 -0.89 0.52 0.00 0.00 175.17 175.03 1bve s THR 31 N -3.50 4.96 -0.34 1.71 2.01 -1.16 0.02 115.64 119.33 1bve s THR 31 Ca 0.38 -1.39 -0.15 0.00 0.31 0.00 0.00 61.69 60.84 1bve s THR 31 Cb 0.03 -4.10 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 1bve s THR 31 CO 0.24 -0.72 0.36 0.54 -0.69 0.00 0.00 174.62 174.35 1bve s VAL 32 N 1.56 5.17 -0.22 3.82 0.11 -0.42 0.14 120.40 130.55 1bve s VAL 32 Ca 0.04 0.06 -0.07 0.00 -2.93 0.00 0.00 61.98 59.08 1bve s VAL 32 Cb -0.27 -3.82 -0.03 0.00 -1.53 0.00 0.00 36.38 30.73 1bve s VAL 32 CO 0.03 -0.09 0.05 -0.76 -3.33 0.00 0.00 175.10 171.00 1bve s LEU 33 N 2.02 3.44 1.01 2.54 1.02 0.76 -0.26 118.68 129.22 1bve s LEU 33 Ca 0.12 -0.16 -0.21 0.00 0.02 0.00 0.00 54.13 53.90 1bve s LEU 33 Cb -0.17 -1.90 -0.11 0.00 0.02 0.00 0.00 46.19 44.03 1bve s LEU 33 CO 0.12 0.03 -0.88 -1.84 0.02 0.00 0.00 176.35 173.80 1bve n GLU 34 N 4.48 -0.27 -1.47 1.70 0.28 -1.13 -2.87 120.64 121.36 1bve n GLU 34 Ca -0.16 -0.07 -0.49 0.00 -0.16 0.00 0.00 57.16 56.27 1bve n GLU 34 Cb 0.52 -1.19 -0.04 0.00 1.43 0.00 0.00 31.44 32.15 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 1.38 0.37 -0.30 3.44 2.13 0.23 -4.39 120.64 123.50 1bve n GLU 35 Ca -0.01 0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1bve n GLU 35 Cb 0.65 -1.34 0.00 0.00 0.27 0.00 0.00 31.44 31.02 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 1.15 0.00 -3.54 5.31 0.00 -1.26 -4.96 117.12 113.82 1bve n MET 36 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.45 1bve n MET 36 Cb 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.37 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 1.06 5.74 0.08 3.17 0.15 -1.26 -5.05 113.70 117.59 1bve s SER 37 Ca 0.00 -1.83 0.07 0.00 0.70 0.00 0.00 55.95 54.89 1bve s SER 37 Cb 0.00 -2.02 -0.03 0.00 -1.71 0.00 0.00 66.02 62.25 1bve s SER 37 CO 0.00 -0.68 -0.17 -0.22 1.20 0.00 0.00 173.24 173.37 1bve s LEU 38 N 1.39 2.28 0.00 3.45 2.96 -1.26 -4.75 118.68 122.75 1bve s LEU 38 Ca 0.05 -0.64 0.00 0.00 -0.22 0.00 0.00 54.13 53.32 1bve s LEU 38 Cb -0.26 -0.70 0.00 0.00 0.50 0.00 0.00 46.19 45.73 1bve s LEU 38 CO 0.00 -0.00 0.00 -0.81 -1.32 0.00 0.00 176.35 174.22 1bve n PRO 39 N 1.24 1.65 0.00 0.98 -0.04 -1.26 -5.09 135.00 132.48 1bve n PRO 39 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1bve n PRO 39 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 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 3.49 1.24 2.12 0.55 0.00 -1.26 -4.80 105.19 106.54 1bve n GLY 40 Ca 0.00 -1.84 -0.08 0.00 0.00 0.00 0.00 46.02 44.11 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 0.00 -2.74 -4.46 1.61 1.74 -1.26 -5.04 116.66 106.51 1bve n ARG 41 Ca 0.00 0.31 -0.24 0.00 -0.77 0.00 0.00 57.85 57.14 1bve n ARG 41 Cb 0.00 -3.74 -0.08 0.00 -1.02 0.00 0.00 32.46 27.62 1bve n ARG 41 CO 0.00 0.00 0.00 1.67 -1.52 0.00 0.00 177.63 177.78 1bve s TRP 42 N -3.12 1.77 0.03 -1.55 1.48 -1.26 -4.40 118.94 111.88 1bve s TRP 42 Ca 0.13 -1.37 0.00 0.00 -1.06 0.00 0.00 56.10 53.81 1bve s TRP 42 Cb -0.06 -1.06 -0.02 0.00 -1.16 0.00 0.00 33.47 31.17 1bve s TRP 42 CO 0.27 -0.42 -0.04 0.15 -4.06 0.00 0.00 176.95 172.84 1bve s LYS 43 N -3.66 0.39 0.24 3.25 -0.14 -1.14 -4.96 119.74 113.72 1bve s LYS 43 Ca 0.27 -0.70 -0.30 0.00 -1.36 0.00 0.00 55.97 53.88 1bve s LYS 43 Cb 0.02 0.03 -0.09 0.00 -1.68 0.00 0.00 37.83 36.12 1bve s LYS 43 CO 0.17 -0.03 1.06 -1.25 -0.76 0.00 0.00 175.35 174.53 1bve s PRO 44 N -1.72 4.68 0.19 -1.68 0.04 -1.26 -0.30 135.00 134.95 1bve s PRO 44 Ca -0.12 1.69 -0.09 0.00 0.04 0.00 0.00 61.00 62.52 1bve s PRO 44 Cb -0.08 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.20 1bve s PRO 44 CO -0.02 0.25 0.31 0.21 0.04 0.00 0.00 177.00 177.80 1bve s LYS 45 N -1.04 1.28 -0.07 4.56 2.20 -0.64 -4.83 119.74 121.21 1bve s LYS 45 Ca 0.45 -1.27 -0.03 0.00 -0.36 0.00 0.00 55.97 54.76 1bve s LYS 45 Cb -0.29 0.39 0.04 0.00 -1.51 0.00 0.00 37.83 36.45 1bve s LYS 45 CO 0.37 -0.48 0.15 -1.64 -0.36 0.00 0.00 175.35 173.39 1bve s MET 46 N -4.01 0.08 -0.07 4.03 -1.94 -1.26 -1.44 119.30 114.70 1bve s MET 46 Ca 0.22 0.41 -0.01 0.00 -1.71 0.00 0.00 55.69 54.60 1bve s MET 46 Cb 0.03 -0.19 -0.03 0.00 2.01 0.00 0.00 34.83 36.64 1bve s MET 46 CO 0.04 -0.19 0.01 0.96 -0.01 0.00 0.00 175.02 175.83 1bve s ILE 47 N 1.37 4.34 -0.42 2.53 -4.36 -1.09 -4.92 121.20 118.65 1bve s ILE 47 Ca -0.07 -0.31 0.03 0.00 -0.26 0.00 0.00 60.65 60.04 1bve s ILE 47 Cb -0.12 -2.85 0.11 0.00 1.25 0.00 0.00 42.46 40.85 1bve s ILE 47 CO -0.06 0.55 0.16 -0.83 0.24 0.00 0.00 174.94 174.99 1bve s GLY 48 N -1.06 2.14 0.00 6.27 0.00 -1.26 -1.28 107.32 112.12 1bve s GLY 48 Ca 0.15 -2.82 0.00 0.00 0.00 0.00 0.00 44.72 42.05 1bve s GLY 48 CO 0.04 0.98 0.00 0.61 0.00 0.00 0.00 173.10 174.74 1bve n GLY 49 N 3.88 1.95 3.64 0.20 0.00 -0.89 -4.96 105.19 109.02 1bve n GLY 49 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 3.84 4.64 0.00 -0.61 1.01 -1.26 -3.88 121.20 124.94 1bve s ILE 50 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 60.65 62.42 1bve s ILE 50 Cb 0.00 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 38.15 1bve s ILE 50 CO 0.00 -0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.25 1bve n GLY 51 N 3.68 3.09 0.00 6.18 0.00 -1.26 -4.97 105.19 111.92 1bve n GLY 51 Ca 0.10 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.54 3.47 -0.02 0.00 -1.25 -5.14 105.19 101.71 1bve n GLY 52 Ca 0.00 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.20 2.67 0.54 1.61 0.40 -1.26 -2.10 117.98 116.63 1bve s PHE 53 Ca 0.00 -0.18 0.02 0.00 -0.60 0.00 0.00 56.93 56.17 1bve s PHE 53 Cb 0.00 -1.60 0.01 0.00 0.51 0.00 0.00 43.02 41.94 1bve s PHE 53 CO 0.00 0.18 0.14 0.96 0.70 0.00 0.00 175.22 177.21 1bve s ILE 54 N -0.75 1.22 -0.03 0.64 -4.36 -0.41 -4.94 121.20 112.58 1bve s ILE 54 Ca 0.12 -1.83 0.05 0.00 -0.26 0.00 0.00 60.65 58.73 1bve s ILE 54 Cb -0.11 -2.05 -0.03 0.00 1.25 0.00 0.00 42.46 41.53 1bve s ILE 54 CO 0.01 0.00 -0.16 -0.54 0.24 0.00 0.00 174.94 174.49 1bve s LYS 55 N -4.04 2.37 0.25 0.37 1.02 -1.26 -2.66 119.74 115.79 1bve s LYS 55 Ca 0.12 -0.78 -0.04 0.00 0.02 0.00 0.00 55.97 55.30 1bve s LYS 55 Cb -0.01 -2.31 -0.02 0.00 -0.52 0.00 0.00 37.83 34.97 1bve s LYS 55 CO 0.08 0.60 0.29 0.14 -0.92 0.00 0.00 175.35 175.54 1bve s VAL 56 N -0.77 0.00 -0.38 3.17 -7.23 -0.52 -3.19 120.40 111.48 1bve s VAL 56 Ca 0.12 -1.77 0.03 0.00 -1.81 0.00 0.00 61.98 58.55 1bve s VAL 56 Cb -0.11 -2.43 0.11 0.00 0.56 0.00 0.00 36.38 34.51 1bve s VAL 56 CO 0.02 0.00 0.11 -0.13 -0.31 0.00 0.00 175.10 174.78 1bve s ARG 57 N -3.89 1.64 -0.74 4.82 0.52 0.19 -1.62 118.95 119.87 1bve s ARG 57 Ca 0.33 -1.99 -0.25 0.00 -0.52 0.00 0.00 55.73 53.29 1bve s ARG 57 Cb 0.03 -3.28 -0.13 0.00 0.52 0.00 0.00 34.95 32.08 1bve s ARG 57 CO 0.14 -0.99 2.41 0.94 0.02 0.00 0.00 175.30 177.83 1bve n GLN 58 N 4.11 0.62 -2.88 3.54 7.27 0.59 -2.94 117.38 127.70 1bve n GLN 58 Ca 0.03 -0.67 -0.43 0.00 0.07 0.00 0.00 57.00 56.00 1bve n GLN 58 Cb 0.40 -3.56 -0.03 0.00 2.41 0.00 0.00 30.24 29.47 1bve n GLN 58 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1bve s TYR 59 N 13.91 2.96 0.31 3.69 2.02 0.08 -2.88 117.35 137.44 1bve s TYR 59 Ca 0.96 -1.13 -0.27 0.00 -0.37 0.00 0.00 57.07 56.26 1bve s TYR 59 Cb -0.17 -4.31 -0.10 0.00 -0.40 0.00 0.00 41.96 36.98 1bve s TYR 59 CO 0.13 -1.56 0.97 -0.51 -1.57 0.00 0.00 175.55 173.01 1bve s ASP 60 N 3.75 7.31 -0.43 2.29 1.11 -1.26 -1.74 116.67 127.70 1bve s ASP 60 Ca 0.31 1.93 -0.01 0.00 0.18 0.00 0.00 52.55 54.96 1bve s ASP 60 Cb -0.08 -2.59 -0.01 0.00 1.07 0.00 0.00 42.92 41.31 1bve s ASP 60 CO -0.04 -0.09 0.39 0.00 1.18 0.00 0.00 175.17 176.61 1bve n GLN 61 N 0.70 -0.80 -3.92 8.23 1.13 -0.36 -4.94 117.38 117.43 1bve n GLN 61 Ca 0.01 0.91 -0.30 0.00 -1.94 0.00 0.00 57.00 55.69 1bve n GLN 61 Cb 0.49 -3.76 -0.16 0.00 0.11 0.00 0.00 30.24 26.92 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 -3.04 1.37 0.39 5.09 -1.09 -0.02 -4.80 121.20 119.10 1bve s ILE 62 Ca 0.05 -1.03 -0.25 0.00 -2.23 0.00 0.00 60.65 57.20 1bve s ILE 62 Cb -0.01 -1.62 -0.12 0.00 -1.58 0.00 0.00 42.46 39.14 1bve s ILE 62 CO 0.39 -0.04 0.93 -0.11 -1.23 0.00 0.00 174.94 174.88 1bve n LEU 63 N 4.75 1.97 -3.48 2.97 -0.00 -1.26 -2.61 117.00 119.33 1bve n LEU 63 Ca -0.12 1.04 -0.10 0.00 -0.00 0.00 0.00 56.01 56.84 1bve n LEU 63 Cb 0.45 -1.30 -0.09 0.00 -0.00 0.00 0.00 43.42 42.49 1bve n LEU 63 CO 0.17 -1.72 -0.05 -0.51 -0.00 0.00 0.00 177.39 175.29 1bve s ILE 64 N -1.26 -0.58 -0.59 1.96 2.07 0.15 -4.10 121.20 118.84 1bve s ILE 64 Ca 0.62 0.03 -0.22 0.00 -1.41 0.00 0.00 60.65 59.67 1bve s ILE 64 Cb -0.60 -0.73 0.06 0.00 0.13 0.00 0.00 42.46 41.33 1bve s ILE 64 CO 0.58 -0.05 0.88 -0.70 -1.91 0.00 0.00 174.94 173.74 1bve s GLU 65 N 2.54 3.18 -0.38 3.50 2.12 -1.12 -2.02 118.70 126.52 1bve s GLU 65 Ca 0.07 -0.69 -0.16 0.00 0.36 0.00 0.00 54.97 54.55 1bve s GLU 65 Cb -0.14 -4.15 0.00 0.00 0.26 0.00 0.00 34.13 30.10 1bve s GLU 65 CO -0.14 -1.59 0.40 0.42 -0.54 0.00 0.00 175.26 173.81 1bve s ILE 66 N 3.68 5.13 0.00 -3.70 1.09 -0.95 -2.57 121.20 123.88 1bve s ILE 66 Ca 0.23 -0.13 0.00 0.00 -1.10 0.00 0.00 60.65 59.65 1bve s ILE 66 Cb -0.16 -3.93 0.00 0.00 -1.06 0.00 0.00 42.46 37.31 1bve s ILE 66 CO 0.13 -0.25 0.00 0.00 -0.10 0.00 0.00 174.94 174.72 1bve n GLY 68 N 0.00 0.71 2.99 0.00 0.00 -1.26 -5.00 105.19 102.63 1bve n GLY 68 Ca 0.00 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 1.36 0.16 1.61 4.02 -1.02 -5.12 115.29 116.30 1bve s HIS 69 Ca 0.11 -0.52 -0.30 0.00 1.02 0.00 0.00 55.06 55.37 1bve s HIS 69 Cb 0.12 -1.03 -0.07 0.00 -1.02 0.00 0.00 32.58 30.58 1bve s HIS 69 CO -0.05 -0.30 0.99 0.15 1.02 0.00 0.00 174.74 176.55 1bve s LYS 70 N 0.85 4.71 -0.17 1.40 1.02 -1.26 -2.24 119.74 124.04 1bve s LYS 70 Ca -0.11 1.53 -0.11 0.00 0.02 0.00 0.00 55.97 57.31 1bve s LYS 70 Cb -0.15 -3.33 0.06 0.00 -0.52 0.00 0.00 37.83 33.89 1bve s LYS 70 CO 0.01 0.25 0.43 0.00 -0.92 0.00 0.00 175.35 175.12 1bve s ALA 71 N -0.36 -1.09 0.11 5.17 0.00 -0.86 -4.96 121.76 119.78 1bve s ALA 71 Ca 0.46 1.51 -0.06 0.00 0.00 0.00 0.00 51.96 53.87 1bve s ALA 71 Cb -0.26 -0.91 -0.06 0.00 0.00 0.00 0.00 23.12 21.90 1bve s ALA 71 CO 0.32 -0.26 0.37 0.42 0.00 0.00 0.00 175.76 176.61 1bve s ILE 72 N 1.20 5.16 0.04 0.00 -1.09 -1.26 0.33 121.20 125.57 1bve s ILE 72 Ca -0.08 0.16 -0.03 0.00 -2.23 0.00 0.00 60.65 58.47 1bve s ILE 72 Cb -0.07 -3.62 0.01 0.00 -1.58 0.00 0.00 42.46 37.20 1bve s ILE 72 CO -0.11 0.14 0.15 0.61 -1.23 0.00 0.00 174.94 174.50 1bve n GLY 73 N 0.42 1.36 3.34 6.18 0.00 -1.07 -4.81 105.19 110.60 1bve n GLY 73 Ca -0.05 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.59 4.81 0.54 2.61 2.01 -1.26 -0.84 115.64 120.93 1bve s THR 74 Ca 0.03 -1.19 -0.01 0.00 0.31 0.00 0.00 61.69 60.83 1bve s THR 74 Cb -0.01 -3.89 0.02 0.00 0.01 0.00 0.00 72.50 68.63 1bve s THR 74 CO 0.01 -0.54 0.79 -0.69 -0.69 0.00 0.00 174.62 173.50 1bve s VAL 75 N 1.55 3.18 -0.20 3.82 1.01 -0.71 -3.01 120.40 126.04 1bve s VAL 75 Ca 0.04 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 1bve s VAL 75 Cb -0.24 -3.22 0.07 0.00 0.00 0.00 0.00 36.38 33.00 1bve s VAL 75 CO 0.05 -0.17 0.10 -0.76 0.00 0.00 0.00 175.10 174.31 1bve s LEU 76 N -4.79 0.47 -0.37 3.92 1.02 0.12 -0.74 118.68 118.32 1bve s LEU 76 Ca 0.54 -0.80 -0.22 0.00 0.02 0.00 0.00 54.13 53.66 1bve s LEU 76 Cb -0.10 -0.30 0.01 0.00 0.02 0.00 0.00 46.19 45.82 1bve s LEU 76 CO 0.40 -0.37 0.75 -0.69 0.02 0.00 0.00 176.35 176.46 1bve s VAL 77 N 2.10 4.76 0.05 -1.59 1.01 -1.15 -0.17 120.40 125.42 1bve s VAL 77 Ca 0.04 0.76 -0.01 0.00 0.00 0.00 0.00 61.98 62.77 1bve s VAL 77 Cb -0.16 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1bve s VAL 77 CO -0.16 -0.43 0.07 0.61 0.00 0.00 0.00 175.10 175.19 1bve n GLY 78 N 4.61 2.82 1.53 4.51 0.00 -1.14 -0.63 105.19 116.89 1bve n GLY 78 Ca 0.02 -1.35 -0.01 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.08 1.06 -2.93 1.61 -0.04 -1.19 0.77 135.00 134.19 1bve n PRO 79 Ca -0.00 -0.10 -0.38 0.00 -0.04 0.00 0.00 63.50 62.98 1bve n PRO 79 Cb 0.08 -1.05 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.11 4.34 -1.37 0.52 -1.32 -1.26 -4.93 115.64 111.51 1bve s THR 80 Ca 0.03 1.68 0.00 0.00 -1.21 0.00 0.00 61.69 62.19 1bve s THR 80 Cb 0.02 -4.06 0.00 0.00 -1.51 0.00 0.00 72.50 66.95 1bve s THR 80 CO -0.00 0.34 0.66 -0.81 -2.21 0.00 0.00 174.62 172.60 1bve n PRO 81 N 1.09 0.97 -3.45 7.08 -0.04 -1.26 -4.23 135.00 135.14 1bve n PRO 81 Ca -0.02 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.33 1bve n PRO 81 Cb 0.49 -1.30 -0.02 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.37 0.00 0.05 0.52 1.01 -1.26 -5.04 120.40 114.31 1bve s VAL 82 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 1bve s VAL 82 Cb 0.00 -1.04 -0.06 0.00 0.00 0.00 0.00 36.38 35.28 1bve s VAL 82 CO 0.00 0.00 0.38 0.20 0.00 0.00 0.00 175.10 175.68 1bve s ASN 83 N -2.71 6.67 -0.10 3.32 0.01 -1.26 -2.84 114.94 118.03 1bve s ASN 83 Ca 0.02 0.81 -0.07 0.00 -0.71 0.00 0.00 52.86 52.91 1bve s ASN 83 Cb -0.01 -2.19 0.04 0.00 0.41 0.00 0.00 41.25 39.50 1bve s ASN 83 CO -0.11 0.23 0.25 -0.63 -1.51 0.00 0.00 177.10 175.33 1bve s ILE 84 N -1.30 -0.02 -0.46 0.60 1.01 0.64 -1.23 121.20 120.45 1bve s ILE 84 Ca 0.30 0.07 -0.17 0.00 0.00 0.00 0.00 60.65 60.85 1bve s ILE 84 Cb -0.15 -0.37 0.05 0.00 0.01 0.00 0.00 42.46 42.00 1bve s ILE 84 CO 0.16 0.03 0.44 -0.63 0.00 0.00 0.00 174.94 174.94 1bve s ILE 85 N 0.69 5.12 0.00 2.92 1.09 -1.15 -1.31 121.20 128.56 1bve s ILE 85 Ca -0.05 -0.69 0.00 0.00 -1.10 0.00 0.00 60.65 58.82 1bve s ILE 85 Cb -0.06 -4.11 0.00 0.00 -1.06 0.00 0.00 42.46 37.23 1bve s ILE 85 CO -0.04 -0.54 0.00 0.61 -0.10 0.00 0.00 174.94 174.87 1bve n GLY 86 N 5.16 -0.14 0.28 6.18 0.00 0.10 -0.94 105.19 115.84 1bve n GLY 86 Ca -0.10 -1.79 0.06 0.00 0.00 0.00 0.00 46.02 44.19 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 0.23 -0.46 1.61 2.47 -1.23 -1.16 114.38 115.84 1bve h ARG 87 Ca 0.00 -0.01 0.13 0.00 -1.26 0.00 0.00 59.98 58.84 1bve h ARG 87 Cb 0.00 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.25 1bve h ARG 87 CO 0.00 0.15 0.37 -2.95 0.56 0.00 0.00 179.97 178.10 1bve h ASN 88 N 0.23 0.00 0.00 7.04 -1.07 -1.71 -1.83 115.58 118.25 1bve h ASN 88 Ca 0.06 0.00 -0.26 0.00 0.07 0.00 0.00 56.30 56.17 1bve h ASN 88 Cb -0.02 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.18 1bve h ASN 88 CO -0.01 0.00 -2.05 0.18 0.07 0.00 0.00 177.43 175.62 1bve n LEU 89 N -4.15 0.00 0.00 6.14 7.99 -0.53 -4.14 117.00 122.30 1bve n LEU 89 Ca 0.08 0.00 0.08 0.00 -0.01 0.00 0.00 56.01 56.17 1bve n LEU 89 Cb 0.57 0.35 0.43 0.00 -0.11 0.00 0.00 43.42 44.67 1bve n LEU 89 CO 0.34 0.35 0.75 0.18 -1.51 0.00 0.00 177.39 177.50 1bve n LEU 90 N -2.54 0.00 -0.02 2.23 4.77 -0.64 -2.12 117.00 118.69 1bve n LEU 90 Ca -0.23 0.28 0.08 0.00 -0.03 0.00 0.00 56.01 56.11 1bve n LEU 90 Cb 0.96 -0.28 -0.16 0.00 -2.33 0.00 0.00 43.42 41.61 1bve n LEU 90 CO 0.33 -0.12 -0.78 0.35 -1.33 0.00 0.00 177.39 175.85 1bve n THR 91 N -1.28 0.12 0.12 -5.08 -2.24 -0.73 0.06 114.28 105.24 1bve n THR 91 Ca 0.08 -0.50 -0.24 0.00 -2.27 0.00 0.00 64.05 61.13 1bve n THR 91 Cb 0.14 -0.01 -0.16 0.00 -2.10 0.00 0.00 70.33 68.20 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 0.49 -0.00 -0.78 1.08 -1.58 -3.16 115.11 111.15 1bve h GLN 92 Ca -0.05 -0.84 0.00 0.00 -1.45 0.00 0.00 58.65 56.32 1bve h GLN 92 Cb 1.04 0.31 0.00 0.00 -0.05 0.00 0.00 27.48 28.78 1bve h GLN 92 CO 0.00 1.40 -0.00 0.44 -0.95 0.00 0.00 178.83 179.72 1bve n ILE 93 N -3.72 0.00 -2.06 2.54 -5.35 -1.11 -4.88 119.36 104.79 1bve n ILE 93 Ca -0.19 -0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.27 1bve n ILE 93 Cb 1.08 -0.49 -0.00 0.00 -1.74 0.00 0.00 39.64 38.49 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 1.15 0.31 3.75 3.28 0.00 -1.20 -4.86 105.19 107.63 1bve n GLY 94 Ca 0.19 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.14 3.59 -0.08 4.61 0.00 0.11 -4.99 121.76 122.86 1bve s ALA 95 Ca 0.00 1.31 0.01 0.00 0.00 0.00 0.00 51.96 53.27 1bve s ALA 95 Cb -0.00 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.61 1bve s ALA 95 CO 0.00 -0.72 -0.07 0.95 0.00 0.00 0.00 175.76 175.92 1bve s THR 96 N -0.32 0.87 -0.87 0.00 -4.23 -1.26 -4.71 115.64 105.11 1bve s THR 96 Ca 0.56 -0.26 -0.22 0.00 -1.18 0.00 0.00 61.69 60.59 1bve s THR 96 Cb -0.41 -0.87 0.07 0.00 1.34 0.00 0.00 72.50 72.64 1bve s THR 96 CO 0.46 0.32 1.22 -0.76 -0.54 0.00 0.00 174.62 175.32 1bve s LEU 97 N 1.23 4.08 -0.15 4.79 1.02 -1.26 -4.98 118.68 123.40 1bve s LEU 97 Ca -0.05 -1.35 -0.04 0.00 0.02 0.00 0.00 54.13 52.71 1bve s LEU 97 Cb -0.14 -2.49 -0.03 0.00 0.02 0.00 0.00 46.19 43.56 1bve s LEU 97 CO -0.02 -1.42 -0.02 0.20 0.02 0.00 0.00 176.35 175.10 1bve s ASN 98 N 4.10 4.91 0.00 2.29 0.02 -1.26 -5.30 114.94 119.69 1bve s ASN 98 Ca 0.35 -0.09 0.00 0.00 -1.02 0.00 0.00 52.86 52.10 1bve s ASN 98 Cb -0.06 -1.78 0.00 0.00 0.02 0.00 0.00 41.25 39.42 1bve s ASN 98 CO -0.01 0.18 0.00 2.22 0.02 0.00 0.00 177.10 179.51