#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 -0.11 -0.52 0.74 -1.26 -5.04 119.66 117.97 1bve s GLN 2 Ca 0.00 1.08 -0.01 0.00 0.05 0.00 0.00 55.36 56.49 1bve s GLN 2 Cb 0.00 -3.41 0.03 0.00 1.10 0.00 0.00 33.01 30.73 1bve s GLN 2 CO 0.00 0.13 -0.04 0.08 -0.55 0.00 0.00 175.29 174.91 1bve s VAL 3 N 0.48 0.82 0.00 1.34 1.01 -1.26 -5.04 120.40 117.75 1bve s VAL 3 Ca 0.41 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1bve s VAL 3 Cb -0.20 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.26 1bve s VAL 3 CO 0.22 0.27 0.00 0.35 0.00 0.00 0.00 175.10 175.95 1bve n THR 4 N 5.00 0.00 -2.37 3.92 -2.24 -1.26 -4.93 114.28 112.39 1bve n THR 4 Ca -0.11 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.66 1bve n THR 4 Cb 0.50 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 0.00 -0.16 -2.46 3.22 4.77 -1.26 -2.64 117.00 118.47 1bve n LEU 5 Ca 0.00 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1bve n LEU 5 Cb 0.00 -1.12 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 1bve n LEU 5 CO 0.00 -0.02 0.00 0.79 -1.33 0.00 0.00 177.39 176.83 1bve n TRP 6 N -2.50 0.00 -3.55 -1.77 7.02 -1.26 -4.74 117.44 110.64 1bve n TRP 6 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 1bve n TRP 6 Cb 0.48 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.37 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 -0.89 0.00 -2.35 -0.99 6.02 -1.08 -5.10 117.38 112.99 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 -1.00 3.98 -1.23 -1.09 0.52 -1.26 -4.91 118.95 113.96 1bve s ARG 8 Ca 0.00 1.46 -0.18 0.00 -0.52 0.00 0.00 55.73 56.49 1bve s ARG 8 Cb 0.00 -3.88 -0.01 0.00 0.52 0.00 0.00 34.95 31.57 1bve s ARG 8 CO 0.00 -1.04 2.00 -0.35 0.02 0.00 0.00 175.30 175.93 1bve n PRO 9 N 7.20 2.47 -2.16 3.54 -0.04 -1.26 -4.96 135.00 139.80 1bve n PRO 9 Ca 0.15 -2.59 -0.31 0.00 -0.04 0.00 0.00 63.50 60.72 1bve n PRO 9 Cb 0.46 -3.32 -0.00 0.00 -0.04 0.00 0.00 33.50 30.60 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 3.64 3.41 -0.15 1.53 1.02 -1.26 -1.91 118.68 124.96 1bve s LEU 10 Ca 0.54 1.36 -0.08 0.00 0.02 0.00 0.00 54.13 55.96 1bve s LEU 10 Cb 0.10 -4.36 0.05 0.00 0.02 0.00 0.00 46.19 42.00 1bve s LEU 10 CO 0.03 -0.74 0.35 0.68 0.02 0.00 0.00 176.35 176.70 1bve s VAL 11 N -2.95 -0.03 -0.43 -1.59 -7.23 -0.33 -4.88 120.40 102.96 1bve s VAL 11 Ca 0.54 0.11 -0.28 0.00 -1.81 0.00 0.00 61.98 60.54 1bve s VAL 11 Cb -0.11 -0.53 -0.02 0.00 0.56 0.00 0.00 36.38 36.28 1bve s VAL 11 CO 0.47 0.04 1.83 -0.89 -0.31 0.00 0.00 175.10 176.24 1bve s THR 12 N 1.29 3.43 0.30 5.32 2.01 -1.26 -1.48 115.64 125.24 1bve s THR 12 Ca -0.09 0.38 -0.05 0.00 0.31 0.00 0.00 61.69 62.25 1bve s THR 12 Cb -0.09 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 1bve s THR 12 CO -0.11 -0.57 0.56 0.27 -0.69 0.00 0.00 174.62 174.08 1bve s ILE 13 N 7.82 5.02 -0.30 1.82 -4.36 -0.71 -4.38 121.20 126.11 1bve s ILE 13 Ca 0.76 0.03 0.02 0.00 -0.26 0.00 0.00 60.65 61.21 1bve s ILE 13 Cb -0.19 -3.74 0.08 0.00 1.25 0.00 0.00 42.46 39.86 1bve s ILE 13 CO 0.29 -0.35 -0.02 -0.75 0.24 0.00 0.00 174.94 174.35 1bve s LYS 14 N -3.62 1.97 -0.10 0.37 2.20 -0.64 -2.48 119.74 117.44 1bve s LYS 14 Ca 0.44 -1.56 0.02 0.00 -0.36 0.00 0.00 55.97 54.51 1bve s LYS 14 Cb -0.11 -3.08 0.01 0.00 -1.51 0.00 0.00 37.83 33.15 1bve s LYS 14 CO 0.31 -0.74 -0.18 0.42 -0.36 0.00 0.00 175.35 174.80 1bve s ILE 15 N 1.05 1.63 -1.11 5.43 1.01 -0.98 -1.51 121.20 126.72 1bve s ILE 15 Ca -0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 1bve s ILE 15 Cb -0.20 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 40.81 1bve s ILE 15 CO -0.06 0.47 0.47 0.61 0.00 0.00 0.00 174.94 176.43 1bve n GLY 16 N 3.98 -0.18 2.68 6.18 0.00 -1.26 -1.26 105.19 115.33 1bve n GLY 16 Ca -0.20 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.33 0.17 3.74 -0.02 0.00 -1.26 -4.96 105.19 101.53 1bve n GLY 17 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.35 0.66 -3.74 1.61 6.02 -0.39 -5.12 117.38 116.08 1bve n GLN 18 Ca 0.00 -3.17 -0.13 0.00 -0.01 0.00 0.00 57.00 53.69 1bve n GLN 18 Cb 0.33 0.04 -0.13 0.00 1.02 0.00 0.00 30.24 31.50 1bve n GLN 18 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1bve s LEU 19 N 0.00 0.56 0.06 1.08 1.43 -1.26 -2.31 118.68 118.24 1bve s LEU 19 Ca 0.46 0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 53.95 1bve s LEU 19 Cb -0.04 0.66 -0.01 0.00 0.03 0.00 0.00 46.19 46.84 1bve s LEU 19 CO 0.29 -0.15 0.15 -0.54 0.23 0.00 0.00 176.35 176.33 1bve s LYS 20 N 1.10 0.71 0.10 1.70 -0.14 -1.04 -4.99 119.74 117.18 1bve s LYS 20 Ca -0.08 -0.82 -0.30 0.00 -1.36 0.00 0.00 55.97 53.41 1bve s LYS 20 Cb -0.09 0.29 -0.06 0.00 -1.68 0.00 0.00 37.83 36.29 1bve s LYS 20 CO -0.07 -0.20 1.00 -1.21 -0.76 0.00 0.00 175.35 174.11 1bve s GLU 21 N -3.13 4.64 0.01 1.68 8.01 -1.26 -1.74 118.70 126.91 1bve s GLU 21 Ca -0.01 1.51 0.05 0.00 0.01 0.00 0.00 54.97 56.53 1bve s GLU 21 Cb 0.02 -3.38 -0.03 0.00 -4.31 0.00 0.00 34.13 26.43 1bve s GLU 21 CO -0.07 0.11 -0.13 0.00 0.01 0.00 0.00 175.26 175.19 1bve s ALA 22 N 0.22 2.78 -0.76 5.21 0.00 -0.55 -4.30 121.76 124.36 1bve s ALA 22 Ca 0.49 -1.09 -0.15 0.00 0.00 0.00 0.00 51.96 51.21 1bve s ALA 22 Cb -0.24 -0.93 0.19 0.00 0.00 0.00 0.00 23.12 22.13 1bve s ALA 22 CO 0.30 0.59 0.74 -1.17 0.00 0.00 0.00 175.76 176.22 1bve s LEU 23 N -1.34 6.41 -0.92 0.00 2.96 -0.83 -1.19 118.68 123.77 1bve s LEU 23 Ca 0.15 -2.37 -0.24 0.00 -0.22 0.00 0.00 54.13 51.44 1bve s LEU 23 Cb -0.11 -2.23 -0.23 0.00 0.50 0.00 0.00 46.19 44.12 1bve s LEU 23 CO 0.06 -0.71 2.50 0.18 -1.32 0.00 0.00 176.35 177.06 1bve n LEU 24 N 4.61 0.20 -4.13 -0.68 4.77 -0.80 -3.07 117.00 117.90 1bve n LEU 24 Ca 0.08 -0.21 -0.38 0.00 -0.03 0.00 0.00 56.01 55.47 1bve n LEU 24 Cb 0.45 -0.96 -0.09 0.00 -2.33 0.00 0.00 43.42 40.50 1bve n LEU 24 CO 0.40 -1.14 0.04 -0.62 -1.33 0.00 0.00 177.39 174.74 1bve s ASP 25 N 7.26 5.44 0.04 -1.43 -1.08 -0.58 -4.71 116.67 121.61 1bve s ASP 25 Ca 1.27 -2.62 0.12 0.00 -0.52 0.00 0.00 52.55 50.80 1bve s ASP 25 Cb -0.94 -1.90 0.53 0.00 -1.46 0.00 0.00 42.92 39.15 1bve s ASP 25 CO 0.45 -0.45 1.39 0.41 0.52 0.00 0.00 175.17 177.50 1bve n THR 26 N 3.84 1.22 -0.01 1.71 -1.04 -1.25 -2.34 114.28 116.40 1bve n THR 26 Ca 0.05 0.32 -0.17 0.00 -2.04 0.00 0.00 64.05 62.22 1bve n THR 26 Cb 0.40 -1.16 -0.09 0.00 -1.82 0.00 0.00 70.33 67.65 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 1.80 0.59 -2.21 3.41 0.00 -1.90 -3.41 103.07 101.36 1bve h GLY 27 Ca 0.00 -0.88 -0.53 0.00 0.00 0.00 0.00 47.33 45.92 1bve h GLY 27 CO 0.00 0.79 0.48 0.00 0.00 0.00 0.00 176.54 177.81 1bve s ALA 28 N -3.54 2.61 -0.35 3.60 0.00 -0.99 -4.92 121.76 118.17 1bve s ALA 28 Ca -0.12 1.03 0.23 0.00 0.00 0.00 0.00 51.96 53.09 1bve s ALA 28 Cb 0.05 -3.45 0.19 0.00 0.00 0.00 0.00 23.12 19.91 1bve s ALA 28 CO 0.84 -1.12 1.36 -0.44 0.00 0.00 0.00 175.76 176.40 1bve h ASP 29 N 1.06 0.00 -0.62 0.00 5.19 -1.87 -2.40 116.42 117.77 1bve h ASP 29 Ca -0.50 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.90 1bve h ASP 29 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 1bve h ASP 29 CO 0.56 0.00 0.00 0.47 -3.12 0.00 0.00 179.24 177.15 1bve n ASP 30 N -2.91 0.34 -4.08 6.45 9.92 -1.26 -2.48 116.55 122.53 1bve n ASP 30 Ca 0.02 -0.23 -0.34 0.00 -0.53 0.00 0.00 54.79 53.72 1bve n ASP 30 Cb 0.54 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.89 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 -0.92 2.90 1.01 -3.53 2.01 -1.18 0.91 115.64 116.83 1bve s THR 31 Ca 0.00 -2.14 -0.17 0.00 0.31 0.00 0.00 61.69 59.69 1bve s THR 31 Cb 0.00 -3.02 0.22 0.00 0.01 0.00 0.00 72.50 69.71 1bve s THR 31 CO 0.00 -0.63 1.28 0.54 -0.69 0.00 0.00 174.62 175.12 1bve s VAL 32 N 1.06 1.92 -0.30 3.82 0.11 -0.15 -1.18 120.40 125.68 1bve s VAL 32 Ca 0.09 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.01 1bve s VAL 32 Cb -0.21 -2.90 0.17 0.00 -1.53 0.00 0.00 36.38 31.91 1bve s VAL 32 CO -0.06 0.00 0.94 -0.76 -3.33 0.00 0.00 175.10 171.90 1bve s LEU 33 N -6.11 -0.67 0.97 2.54 1.02 0.45 -1.60 118.68 115.28 1bve s LEU 33 Ca 0.74 0.72 -0.19 0.00 0.02 0.00 0.00 54.13 55.42 1bve s LEU 33 Cb -0.05 1.68 -0.15 0.00 0.02 0.00 0.00 46.19 47.69 1bve s LEU 33 CO 0.54 -0.13 -0.93 1.21 0.02 0.00 0.00 176.35 177.06 1bve n GLU 34 N 5.18 0.00 -1.07 1.70 2.13 -1.12 -2.48 120.64 124.97 1bve n GLU 34 Ca -0.08 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.38 1bve n GLU 34 Cb 0.52 -0.97 0.04 0.00 0.27 0.00 0.00 31.44 31.30 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 2.42 0.00 -3.40 5.31 2.13 0.45 -4.28 120.64 123.28 1bve n GLU 35 Ca -0.02 0.01 0.03 0.00 0.66 0.00 0.00 57.16 57.84 1bve n GLU 35 Cb 0.58 -1.10 0.01 0.00 0.27 0.00 0.00 31.44 31.20 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 1.80 0.04 -3.70 5.31 0.00 -1.26 -4.91 117.12 114.40 1bve n MET 36 Ca 0.02 -0.41 -0.37 0.00 0.00 0.00 0.00 57.70 56.94 1bve n MET 36 Cb 0.53 0.76 -0.12 0.00 0.00 0.00 0.00 33.22 34.39 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 -3.05 5.42 0.28 3.17 0.15 -1.26 -5.07 113.70 113.33 1bve s SER 37 Ca 0.22 -0.27 0.02 0.00 0.70 0.00 0.00 55.95 56.63 1bve s SER 37 Cb -0.00 -1.98 -0.05 0.00 -1.71 0.00 0.00 66.02 62.27 1bve s SER 37 CO -0.02 -0.08 0.09 -0.76 1.20 0.00 0.00 173.24 173.67 1bve s LEU 38 N 1.64 1.77 0.00 3.45 1.43 -1.26 -4.90 118.68 120.81 1bve s LEU 38 Ca 0.06 -1.41 0.00 0.00 -1.03 0.00 0.00 54.13 51.75 1bve s LEU 38 Cb -0.16 -0.06 0.00 0.00 0.03 0.00 0.00 46.19 46.00 1bve s LEU 38 CO 0.06 -0.72 0.00 -0.81 0.23 0.00 0.00 176.35 175.10 1bve n PRO 39 N -0.54 0.37 -1.29 1.29 -0.04 -1.26 -4.94 135.00 128.59 1bve n PRO 39 Ca -0.01 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.21 1bve n PRO 39 Cb 0.66 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.25 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 2.38 5.36 2.71 0.55 0.00 -1.26 -4.61 105.19 110.33 1bve n GLY 40 Ca 0.00 -1.79 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.00 3.13 -4.42 1.61 1.74 -1.26 -4.99 116.66 111.48 1bve n ARG 41 Ca 0.53 -4.03 -0.22 0.00 -0.77 0.00 0.00 57.85 53.36 1bve n ARG 41 Cb 1.07 -2.26 -0.09 0.00 -1.02 0.00 0.00 32.46 30.16 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 -3.83 1.73 0.01 -1.55 1.48 -1.26 -3.18 118.94 112.34 1bve s TRP 42 Ca 0.50 -1.36 -0.14 0.00 -1.06 0.00 0.00 56.10 54.04 1bve s TRP 42 Cb 0.41 -0.99 0.02 0.00 -1.16 0.00 0.00 33.47 31.75 1bve s TRP 42 CO -0.30 -0.45 0.29 0.21 -4.06 0.00 0.00 176.95 172.64 1bve s LYS 43 N -3.71 0.70 0.04 3.25 2.20 -1.00 -4.92 119.74 116.30 1bve s LYS 43 Ca 0.31 -0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 55.29 1bve s LYS 43 Cb 0.03 0.31 -0.05 0.00 -1.51 0.00 0.00 37.83 36.62 1bve s LYS 43 CO 0.18 -0.20 1.09 -1.25 -0.36 0.00 0.00 175.35 174.80 1bve s PRO 44 N -1.77 4.50 -0.28 4.03 0.04 -1.26 -0.71 135.00 139.55 1bve s PRO 44 Ca -0.11 1.60 -0.16 0.00 0.04 0.00 0.00 61.00 62.38 1bve s PRO 44 Cb -0.04 -3.40 0.09 0.00 0.04 0.00 0.00 34.50 31.20 1bve s PRO 44 CO 0.01 -0.14 0.73 -1.59 0.04 0.00 0.00 177.00 176.06 1bve s LYS 45 N 0.95 0.65 -0.01 4.56 -2.85 -0.99 -4.91 119.74 117.13 1bve s LYS 45 Ca 0.55 1.16 -0.20 0.00 -1.00 0.00 0.00 55.97 56.48 1bve s LYS 45 Cb -0.25 0.19 -0.05 0.00 -2.06 0.00 0.00 37.83 35.65 1bve s LYS 45 CO 0.29 -0.14 0.56 -1.64 0.10 0.00 0.00 175.35 174.52 1bve s MET 46 N 1.70 4.28 0.18 1.78 -1.94 -1.26 -1.94 119.30 122.10 1bve s MET 46 Ca -0.09 0.67 -0.14 0.00 -1.71 0.00 0.00 55.69 54.41 1bve s MET 46 Cb -0.05 -3.34 -0.07 0.00 2.01 0.00 0.00 34.83 33.38 1bve s MET 46 CO -0.19 0.38 0.59 0.96 -0.01 0.00 0.00 175.02 176.75 1bve s ILE 47 N -0.21 4.81 -0.39 2.53 -4.36 -0.63 -4.84 121.20 118.12 1bve s ILE 47 Ca 0.30 0.85 0.02 0.00 -0.26 0.00 0.00 60.65 61.56 1bve s ILE 47 Cb -0.18 -3.73 0.11 0.00 1.25 0.00 0.00 42.46 39.91 1bve s ILE 47 CO 0.16 0.17 0.13 -0.83 0.24 0.00 0.00 174.94 174.81 1bve s GLY 48 N -1.83 2.04 0.00 6.27 0.00 -1.26 -2.05 107.32 110.48 1bve s GLY 48 Ca 0.41 -2.66 0.00 0.00 0.00 0.00 0.00 44.72 42.47 1bve s GLY 48 CO 0.20 0.98 0.00 0.61 0.00 0.00 0.00 173.10 174.88 1bve n GLY 49 N 4.16 2.17 3.62 0.20 0.00 -1.12 -5.01 105.19 109.21 1bve n GLY 49 Ca 0.03 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 3.41 4.93 0.00 -0.61 1.01 -1.26 -4.30 121.20 124.39 1bve s ILE 50 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 60.65 61.78 1bve s ILE 50 Cb 0.00 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1bve s ILE 50 CO 0.00 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.50 1bve n GLY 51 N 4.17 3.05 0.00 6.18 0.00 -1.26 -4.97 105.19 112.36 1bve n GLY 51 Ca 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.67 3.25 -0.02 0.00 -1.26 -5.14 105.19 101.35 1bve n GLY 52 Ca 0.00 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.45 2.65 0.41 1.61 0.40 -1.26 -2.78 117.98 115.57 1bve s PHE 53 Ca 0.00 -1.02 0.08 0.00 -0.60 0.00 0.00 56.93 55.39 1bve s PHE 53 Cb 0.00 -1.77 0.00 0.00 0.51 0.00 0.00 43.02 41.76 1bve s PHE 53 CO 0.00 -0.42 0.51 0.96 0.70 0.00 0.00 175.22 176.98 1bve s ILE 54 N 0.47 2.98 -0.16 0.64 -4.36 -0.87 -4.85 121.20 115.05 1bve s ILE 54 Ca -0.14 -1.09 -0.09 0.00 -0.26 0.00 0.00 60.65 59.07 1bve s ILE 54 Cb -0.17 -3.02 -0.05 0.00 1.25 0.00 0.00 42.46 40.47 1bve s ILE 54 CO 0.06 -0.01 0.15 -0.54 0.24 0.00 0.00 174.94 174.84 1bve s LYS 55 N -4.28 3.86 0.26 0.37 1.02 -1.26 -1.60 119.74 118.11 1bve s LYS 55 Ca 0.53 -0.15 0.06 0.00 0.02 0.00 0.00 55.97 56.42 1bve s LYS 55 Cb -0.08 -3.32 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 1bve s LYS 55 CO 0.32 0.51 0.23 1.33 -0.92 0.00 0.00 175.35 176.82 1bve n VAL 56 N 2.82 0.00 -3.74 3.17 0.24 -0.82 -3.44 118.33 116.56 1bve n VAL 56 Ca -0.17 -1.87 -0.30 0.00 -2.04 0.00 0.00 64.34 59.95 1bve n VAL 56 Cb 0.53 0.95 -0.13 0.00 -1.47 0.00 0.00 33.84 33.72 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 -3.03 1.26 -0.45 7.34 0.52 0.20 -2.34 118.95 122.45 1bve s ARG 57 Ca 0.31 -1.92 -0.30 0.00 -0.52 0.00 0.00 55.73 53.31 1bve s ARG 57 Cb 0.01 -2.39 -0.10 0.00 0.52 0.00 0.00 34.95 33.00 1bve s ARG 57 CO 0.22 -1.13 2.35 0.94 0.02 0.00 0.00 175.30 177.70 1bve n GLN 58 N 3.72 1.14 -3.54 3.54 -0.06 0.11 -2.72 117.38 119.57 1bve n GLN 58 Ca 0.07 0.20 -0.36 0.00 -2.00 0.00 0.00 57.00 54.90 1bve n GLN 58 Cb 0.36 -2.90 -0.07 0.00 -4.06 0.00 0.00 30.24 23.57 1bve n GLN 58 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 1bve s TYR 59 N 9.61 3.43 -0.12 3.69 2.02 -0.42 -2.38 117.35 133.19 1bve s TYR 59 Ca 1.07 0.55 -0.01 0.00 -0.37 0.00 0.00 57.07 58.31 1bve s TYR 59 Cb -0.53 -2.35 -0.02 0.00 -0.40 0.00 0.00 41.96 38.65 1bve s TYR 59 CO 0.37 0.19 -0.08 -0.51 -1.57 0.00 0.00 175.55 173.96 1bve s ASP 60 N 0.59 4.49 -0.08 2.29 1.01 -1.19 -1.10 116.67 122.67 1bve s ASP 60 Ca 0.16 -0.16 -0.00 0.00 0.71 0.00 0.00 52.55 53.25 1bve s ASP 60 Cb -0.13 -1.50 -0.00 0.00 1.01 0.00 0.00 42.92 42.29 1bve s ASP 60 CO 0.04 0.23 0.08 0.00 0.21 0.00 0.00 175.17 175.73 1bve n GLN 61 N 3.08 -0.18 -4.81 8.23 1.13 -0.96 -4.98 117.38 118.90 1bve n GLN 61 Ca -0.18 0.17 -0.32 0.00 -1.94 0.00 0.00 57.00 54.73 1bve n GLN 61 Cb 0.53 -1.87 -0.16 0.00 0.11 0.00 0.00 30.24 28.84 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 -3.03 2.15 -0.87 5.09 1.09 -0.28 -4.84 121.20 120.51 1bve s ILE 62 Ca 0.03 -0.96 -0.25 0.00 -1.10 0.00 0.00 60.65 58.37 1bve s ILE 62 Cb -0.00 -1.85 0.03 0.00 -1.06 0.00 0.00 42.46 39.57 1bve s ILE 62 CO 0.06 0.55 1.49 -0.22 -0.10 0.00 0.00 174.94 176.72 1bve s LEU 63 N 0.67 3.32 -0.28 2.97 1.98 -1.26 -1.49 118.68 124.59 1bve s LEU 63 Ca -0.10 -0.84 -0.13 0.00 -2.89 0.00 0.00 54.13 50.17 1bve s LEU 63 Cb -0.16 -2.56 -0.04 0.00 0.66 0.00 0.00 46.19 44.08 1bve s LEU 63 CO 0.01 -1.85 0.28 -0.51 -1.89 0.00 0.00 176.35 172.39 1bve s ILE 64 N 6.22 5.25 -0.18 6.68 2.07 0.70 -4.32 121.20 137.61 1bve s ILE 64 Ca 0.47 0.34 -0.19 0.00 -1.41 0.00 0.00 60.65 59.86 1bve s ILE 64 Cb -0.05 -3.62 -0.03 0.00 0.13 0.00 0.00 42.46 38.89 1bve s ILE 64 CO 0.03 0.19 0.54 -1.61 -1.91 0.00 0.00 174.94 172.18 1bve s GLU 65 N 1.90 4.23 -0.05 3.50 0.41 -0.57 -2.60 118.70 125.52 1bve s GLU 65 Ca 0.11 0.47 0.06 0.00 -0.41 0.00 0.00 54.97 55.19 1bve s GLU 65 Cb -0.16 -3.54 -0.01 0.00 -1.78 0.00 0.00 34.13 28.64 1bve s GLU 65 CO 0.11 -0.10 -0.23 0.42 -0.49 0.00 0.00 175.26 174.96 1bve s ILE 66 N 1.47 1.89 -1.32 -1.63 1.09 -0.52 -1.62 121.20 120.57 1bve s ILE 66 Ca 0.26 -0.97 -0.17 0.00 -1.10 0.00 0.00 60.65 58.67 1bve s ILE 66 Cb -0.15 -1.60 0.17 0.00 -1.06 0.00 0.00 42.46 39.81 1bve s ILE 66 CO 0.10 0.53 0.42 0.00 -0.10 0.00 0.00 174.94 175.89 1bve n GLY 68 N -0.88 0.43 2.76 0.00 0.00 -1.26 -4.93 105.19 101.32 1bve n GLY 68 Ca 0.08 -0.44 -0.17 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 -3.05 -0.03 -0.15 1.61 4.02 0.25 -5.11 115.29 112.82 1bve s HIS 69 Ca 0.02 0.34 -0.29 0.00 1.02 0.00 0.00 55.06 56.14 1bve s HIS 69 Cb -0.01 -0.33 -0.01 0.00 -1.02 0.00 0.00 32.58 31.21 1bve s HIS 69 CO 0.10 -0.18 1.13 0.21 1.02 0.00 0.00 174.74 177.01 1bve s LYS 70 N 1.85 4.30 -0.09 1.40 2.20 -1.26 -1.43 119.74 126.71 1bve s LYS 70 Ca -0.00 1.51 -0.04 0.00 -0.36 0.00 0.00 55.97 57.09 1bve s LYS 70 Cb -0.12 -3.64 0.05 0.00 -1.51 0.00 0.00 37.83 32.61 1bve s LYS 70 CO -0.04 -0.55 0.18 0.00 -0.36 0.00 0.00 175.35 174.58 1bve s ALA 71 N 2.86 -0.31 -0.27 3.13 0.00 -1.07 -4.91 121.76 121.20 1bve s ALA 71 Ca 0.50 0.72 -0.09 0.00 0.00 0.00 0.00 51.96 53.08 1bve s ALA 71 Cb -0.19 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 1bve s ALA 71 CO 0.14 -0.41 0.14 0.42 0.00 0.00 0.00 175.76 176.05 1bve s ILE 72 N 1.85 4.88 0.00 0.00 1.01 -1.26 -0.22 121.20 127.47 1bve s ILE 72 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1bve s ILE 72 Cb -0.12 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.05 1bve s ILE 72 CO -0.07 0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.77 1bve n GLY 73 N 4.98 4.12 3.54 6.18 0.00 -0.56 -4.71 105.19 118.73 1bve n GLY 73 Ca -0.15 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.85 5.17 -0.26 2.61 2.01 -1.26 -1.13 115.64 120.94 1bve s THR 74 Ca 0.00 -0.03 -0.07 0.00 0.31 0.00 0.00 61.69 61.90 1bve s THR 74 Cb 0.00 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 1bve s THR 74 CO 0.00 -0.12 0.08 -0.69 -0.69 0.00 0.00 174.62 173.20 1bve s VAL 75 N 1.99 4.27 -0.15 3.82 1.01 -0.25 -3.12 120.40 127.97 1bve s VAL 75 Ca 0.11 -0.27 -0.21 0.00 0.00 0.00 0.00 61.98 61.61 1bve s VAL 75 Cb -0.17 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1bve s VAL 75 CO 0.12 0.28 0.60 -0.76 0.00 0.00 0.00 175.10 175.34 1bve s LEU 76 N 1.60 4.21 -0.23 3.92 1.02 -0.32 -1.30 118.68 127.56 1bve s LEU 76 Ca 0.06 0.89 -0.06 0.00 0.02 0.00 0.00 54.13 55.04 1bve s LEU 76 Cb -0.16 -2.87 -0.02 0.00 0.02 0.00 0.00 46.19 43.16 1bve s LEU 76 CO 0.03 -0.17 0.02 -0.69 0.02 0.00 0.00 176.35 175.56 1bve s VAL 77 N 1.39 3.93 0.00 -1.59 1.01 -1.10 0.17 120.40 124.21 1bve s VAL 77 Ca 0.29 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1bve s VAL 77 Cb -0.16 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1bve s VAL 77 CO 0.12 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1bve n GLY 78 N 4.79 2.36 1.53 4.51 0.00 -1.04 0.62 105.19 117.96 1bve n GLY 78 Ca -0.17 -1.09 -0.01 0.00 0.00 0.00 0.00 46.02 44.75 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 1.07 -2.89 1.61 -0.04 -1.22 0.17 135.00 133.70 1bve n PRO 79 Ca 0.00 -0.13 -0.40 0.00 -0.04 0.00 0.00 63.50 62.93 1bve n PRO 79 Cb 0.00 -1.05 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.19 4.25 -1.54 0.52 -1.32 -1.26 -4.92 115.64 111.17 1bve s THR 80 Ca 0.03 1.86 0.00 0.00 -1.21 0.00 0.00 61.69 62.37 1bve s THR 80 Cb 0.02 -4.22 0.00 0.00 -1.51 0.00 0.00 72.50 66.79 1bve s THR 80 CO -0.00 0.51 0.70 -0.81 -2.21 0.00 0.00 174.62 172.81 1bve n PRO 81 N 1.56 0.91 -3.64 7.08 -0.04 -1.26 -4.17 135.00 135.44 1bve n PRO 81 Ca -0.04 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.33 1bve n PRO 81 Cb 0.48 -1.21 -0.02 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.54 0.00 -0.01 0.52 1.01 -1.26 -5.03 120.40 114.09 1bve s VAL 82 Ca 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 1bve s VAL 82 Cb 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1bve s VAL 82 CO 0.00 0.00 0.14 0.20 0.00 0.00 0.00 175.10 175.44 1bve s ASN 83 N -2.81 6.10 -0.06 3.32 -0.87 -1.26 -2.78 114.94 116.57 1bve s ASN 83 Ca 0.06 0.27 0.02 0.00 -1.57 0.00 0.00 52.86 51.64 1bve s ASN 83 Cb -0.03 -1.85 0.01 0.00 -0.02 0.00 0.00 41.25 39.36 1bve s ASN 83 CO -0.03 0.27 -0.11 -0.63 -2.57 0.00 0.00 177.10 174.03 1bve s ILE 84 N -1.28 1.01 -0.59 0.60 -1.09 -0.63 -1.97 121.20 117.26 1bve s ILE 84 Ca 0.26 -0.41 -0.11 0.00 -2.23 0.00 0.00 60.65 58.17 1bve s ILE 84 Cb -0.12 -0.94 0.15 0.00 -1.58 0.00 0.00 42.46 39.97 1bve s ILE 84 CO 0.17 0.33 0.48 -0.63 -1.23 0.00 0.00 174.94 174.06 1bve s ILE 85 N 0.71 4.62 0.00 2.92 1.09 -1.17 -0.98 121.20 128.39 1bve s ILE 85 Ca -0.14 -2.06 0.00 0.00 -1.10 0.00 0.00 60.65 57.35 1bve s ILE 85 Cb -0.16 -3.98 0.00 0.00 -1.06 0.00 0.00 42.46 37.27 1bve s ILE 85 CO 0.03 -0.86 0.00 0.61 -0.10 0.00 0.00 174.94 174.62 1bve n GLY 86 N 4.55 -0.76 0.24 6.18 0.00 0.26 -1.52 105.19 114.14 1bve n GLY 86 Ca -0.02 -1.72 0.06 0.00 0.00 0.00 0.00 46.02 44.34 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 0.05 -0.82 1.61 2.47 -1.49 -1.55 114.38 114.65 1bve h ARG 87 Ca 0.00 -0.01 0.24 0.00 -1.26 0.00 0.00 59.98 58.95 1bve h ARG 87 Cb 0.00 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.28 1bve h ARG 87 CO 0.00 0.16 0.65 -2.95 0.56 0.00 0.00 179.97 178.39 1bve h ASN 88 N 0.05 0.00 0.00 7.04 -1.07 -1.75 -2.13 115.58 117.72 1bve h ASN 88 Ca 0.01 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.24 1bve h ASN 88 Cb 0.21 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.43 1bve h ASN 88 CO 0.01 0.00 -1.65 0.18 0.07 0.00 0.00 177.43 176.05 1bve n LEU 89 N -4.05 0.00 0.11 6.14 7.99 -0.75 -4.30 117.00 122.14 1bve n LEU 89 Ca 0.17 0.00 0.10 0.00 -0.01 0.00 0.00 56.01 56.26 1bve n LEU 89 Cb 0.95 0.19 0.44 0.00 -0.11 0.00 0.00 43.42 44.90 1bve n LEU 89 CO 0.35 0.19 0.79 0.18 -1.51 0.00 0.00 177.39 177.40 1bve n LEU 90 N -2.27 0.47 0.01 2.23 4.77 -0.66 -1.56 117.00 120.00 1bve n LEU 90 Ca -0.13 0.66 0.08 0.00 -0.03 0.00 0.00 56.01 56.59 1bve n LEU 90 Cb 0.71 -0.64 -0.12 0.00 -2.33 0.00 0.00 43.42 41.04 1bve n LEU 90 CO 0.22 -0.65 -0.56 0.35 -1.33 0.00 0.00 177.39 175.42 1bve n THR 91 N -2.07 0.37 0.01 -5.08 -2.24 -0.92 -0.79 114.28 103.57 1bve n THR 91 Ca 0.01 -0.56 -0.19 0.00 -2.27 0.00 0.00 64.05 61.04 1bve n THR 91 Cb 0.13 -0.18 -0.09 0.00 -2.10 0.00 0.00 70.33 68.08 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 0.73 0.00 -0.78 4.20 -1.47 -2.72 115.11 115.07 1bve h GLN 92 Ca -0.06 -0.70 0.00 0.00 0.06 0.00 0.00 58.65 57.95 1bve h GLN 92 Cb 1.15 0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.11 1bve h GLN 92 CO 0.01 1.29 0.00 0.44 -0.67 0.00 0.00 178.83 179.90 1bve n ILE 93 N -3.91 0.00 -2.86 2.54 -5.35 -1.06 -4.90 119.36 103.83 1bve n ILE 93 Ca -0.10 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.27 1bve n ILE 93 Cb 0.82 -0.45 0.05 0.00 -1.74 0.00 0.00 39.64 38.32 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 0.91 -0.66 3.89 3.28 0.00 -1.02 -5.00 105.19 106.59 1bve n GLY 94 Ca 0.21 0.37 -0.29 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.30 3.42 -0.03 4.61 0.00 0.03 -5.02 121.76 121.48 1bve s ALA 95 Ca 0.33 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1bve s ALA 95 Cb -0.04 -2.58 0.03 0.00 0.00 0.00 0.00 23.12 20.53 1bve s ALA 95 CO 0.57 -0.06 0.02 0.95 0.00 0.00 0.00 175.76 177.23 1bve s THR 96 N -2.43 0.06 -0.86 0.00 -4.23 -1.26 -4.89 115.64 102.03 1bve s THR 96 Ca 0.48 0.16 -0.16 0.00 -1.18 0.00 0.00 61.69 61.00 1bve s THR 96 Cb -0.10 -0.18 0.18 0.00 1.34 0.00 0.00 72.50 73.73 1bve s THR 96 CO 0.35 0.12 0.91 -0.76 -0.54 0.00 0.00 174.62 174.71 1bve s LEU 97 N 1.12 6.02 -0.16 4.79 1.02 -1.26 -5.01 118.68 125.19 1bve s LEU 97 Ca -0.08 -2.38 -0.20 0.00 0.02 0.00 0.00 54.13 51.48 1bve s LEU 97 Cb -0.13 -2.29 -0.03 0.00 0.02 0.00 0.00 46.19 43.76 1bve s LEU 97 CO -0.02 -0.79 0.60 0.20 0.02 0.00 0.00 176.35 176.35 1bve s ASN 98 N 2.82 6.72 0.00 2.29 0.02 -1.26 -5.31 114.94 120.22 1bve s ASN 98 Ca 0.24 0.87 0.00 0.00 -1.02 0.00 0.00 52.86 52.95 1bve s ASN 98 Cb -0.08 -2.34 0.00 0.00 0.02 0.00 0.00 41.25 38.84 1bve s ASN 98 CO -0.09 -0.19 0.00 2.22 0.02 0.00 0.00 177.10 179.07