#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 0.05 0.54 0.74 -1.26 -5.06 119.66 118.95 1bve s GLN 2 Ca 0.00 0.82 -0.08 0.00 0.05 0.00 0.00 55.36 56.16 1bve s GLN 2 Cb 0.00 -3.26 -0.00 0.00 1.10 0.00 0.00 33.01 30.85 1bve s GLN 2 CO 0.00 0.59 0.15 0.08 -0.55 0.00 0.00 175.29 175.57 1bve s VAL 3 N -1.00 0.13 0.00 1.34 1.01 -1.26 -5.17 120.40 115.44 1bve s VAL 3 Ca 0.31 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1bve s VAL 3 Cb -0.20 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.18 1bve s VAL 3 CO 0.20 -0.57 0.00 0.35 0.00 0.00 0.00 175.10 175.08 1bve n THR 4 N 0.57 0.00 0.04 3.92 -2.24 -1.26 -5.05 114.28 110.26 1bve n THR 4 Ca -0.18 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.58 1bve n THR 4 Cb 0.59 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.75 1bve n THR 4 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1bve h LEU 5 N 0.00 0.00 -1.14 3.22 7.12 -2.02 -3.31 115.31 119.18 1bve h LEU 5 Ca 0.00 0.00 0.11 0.00 0.13 0.00 0.00 57.88 58.12 1bve h LEU 5 Cb 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.11 1bve h LEU 5 CO 0.00 0.69 0.81 -0.50 -0.13 0.00 0.00 178.44 179.31 1bve h TRP 6 N 0.00 0.00 -2.43 1.25 -0.00 -2.06 -3.27 115.95 109.45 1bve h TRP 6 Ca -0.14 0.00 -0.29 0.00 -0.00 0.00 0.00 58.89 58.46 1bve h TRP 6 Cb 1.65 0.00 -0.35 0.00 -0.00 0.00 0.00 29.16 30.46 1bve h TRP 6 CO 0.00 0.00 -0.60 -0.65 -0.00 0.00 0.00 178.44 177.19 1bve s GLN 7 N -4.27 0.22 0.45 0.49 -0.21 -1.24 -5.12 119.66 109.97 1bve s GLN 7 Ca -0.02 0.28 -0.20 0.00 0.02 0.00 0.00 55.36 55.43 1bve s GLN 7 Cb 0.09 -1.05 -0.15 0.00 1.00 0.00 0.00 33.01 32.90 1bve s GLN 7 CO 0.31 -0.64 0.06 0.54 -2.12 0.00 0.00 175.29 173.44 1bve n ARG 8 N 5.33 0.07 -0.88 2.91 1.74 -1.23 -4.55 116.66 120.04 1bve n ARG 8 Ca -0.05 0.03 -0.09 0.00 -0.77 0.00 0.00 57.85 56.96 1bve n ARG 8 Cb 0.50 -1.07 -0.13 0.00 -1.02 0.00 0.00 32.46 30.73 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 1.27 1.76 -2.74 5.56 -0.04 -1.26 -4.92 135.00 134.63 1bve n PRO 9 Ca 0.10 -0.78 -0.38 0.00 -0.04 0.00 0.00 63.50 62.41 1bve n PRO 9 Cb 0.43 -1.78 -0.06 0.00 -0.04 0.00 0.00 33.50 32.05 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 0.00 4.39 -0.09 1.53 1.43 -1.26 -3.01 118.68 121.68 1bve s LEU 10 Ca 0.52 1.90 -0.09 0.00 -1.03 0.00 0.00 54.13 55.43 1bve s LEU 10 Cb 0.25 -3.93 0.02 0.00 0.03 0.00 0.00 46.19 42.56 1bve s LEU 10 CO 0.00 -0.06 0.26 0.68 0.23 0.00 0.00 176.35 177.46 1bve s VAL 11 N -1.51 0.00 -0.76 -1.59 -7.23 -1.03 -4.90 120.40 103.38 1bve s VAL 11 Ca 0.49 -0.04 -0.26 0.00 -1.81 0.00 0.00 61.98 60.36 1bve s VAL 11 Cb -0.21 -0.38 -0.00 0.00 0.56 0.00 0.00 36.38 36.35 1bve s VAL 11 CO 0.26 -0.02 1.64 -0.89 -0.31 0.00 0.00 175.10 175.79 1bve s THR 12 N 0.04 3.56 0.37 5.32 2.01 -1.26 -1.73 115.64 123.95 1bve s THR 12 Ca -0.01 0.02 -0.17 0.00 0.31 0.00 0.00 61.69 61.85 1bve s THR 12 Cb -0.02 -4.41 -0.09 0.00 0.01 0.00 0.00 72.50 67.99 1bve s THR 12 CO 0.01 -1.35 0.81 0.27 -0.69 0.00 0.00 174.62 173.67 1bve s ILE 13 N 7.67 4.59 -0.40 1.82 -4.36 -0.82 -4.30 121.20 125.40 1bve s ILE 13 Ca 0.55 1.11 -0.04 0.00 -0.26 0.00 0.00 60.65 62.01 1bve s ILE 13 Cb -0.08 -3.61 0.10 0.00 1.25 0.00 0.00 42.46 40.11 1bve s ILE 13 CO 0.11 -0.26 0.20 -0.75 0.24 0.00 0.00 174.94 174.48 1bve s LYS 14 N -3.12 2.14 -0.03 0.37 2.20 -0.84 -2.72 119.74 117.74 1bve s LYS 14 Ca 0.57 -1.72 0.06 0.00 -0.36 0.00 0.00 55.97 54.52 1bve s LYS 14 Cb -0.10 -3.59 -0.01 0.00 -1.51 0.00 0.00 37.83 32.62 1bve s LYS 14 CO 0.17 -1.02 -0.22 0.42 -0.36 0.00 0.00 175.35 174.33 1bve s ILE 15 N 1.20 1.79 -1.49 5.43 1.01 -0.99 -2.29 121.20 125.86 1bve s ILE 15 Ca 0.06 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.66 1bve s ILE 15 Cb -0.23 -1.50 0.07 0.00 0.01 0.00 0.00 42.46 40.81 1bve s ILE 15 CO -0.03 0.51 0.84 0.61 0.00 0.00 0.00 174.94 176.87 1bve n GLY 16 N 2.70 -0.41 3.21 6.18 0.00 -1.26 -0.25 105.19 115.36 1bve n GLY 16 Ca -0.16 0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.66 -0.51 3.49 -0.02 0.00 -1.26 -4.91 105.19 100.31 1bve n GLY 17 Ca -0.07 0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.89 1.93 -0.12 1.61 -1.52 0.66 -5.15 119.66 111.17 1bve s GLN 18 Ca 0.37 -2.17 -0.05 0.00 -1.95 0.00 0.00 55.36 51.56 1bve s GLN 18 Cb -0.18 -0.48 0.05 0.00 -0.22 0.00 0.00 33.01 32.19 1bve s GLN 18 CO 0.46 -0.52 0.26 -0.51 -0.25 0.00 0.00 175.29 174.73 1bve s LEU 19 N -3.58 0.13 0.13 2.90 1.43 -1.26 -2.35 118.68 116.08 1bve s LEU 19 Ca 0.25 0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 53.84 1bve s LEU 19 Cb 0.02 0.76 -0.01 0.00 0.03 0.00 0.00 46.19 46.99 1bve s LEU 19 CO 0.16 -0.19 0.23 -0.54 0.23 0.00 0.00 176.35 176.24 1bve s LYS 20 N 1.68 1.03 0.18 1.70 3.01 -1.10 -4.97 119.74 121.26 1bve s LYS 20 Ca -0.06 -1.11 -0.30 0.00 -1.01 0.00 0.00 55.97 53.49 1bve s LYS 20 Cb -0.11 0.36 -0.07 0.00 -1.01 0.00 0.00 37.83 36.99 1bve s LYS 20 CO -0.09 -0.36 0.97 -1.21 0.51 0.00 0.00 175.35 175.18 1bve s GLU 21 N -3.93 4.76 0.22 1.68 0.41 -1.26 -1.94 118.70 118.63 1bve s GLU 21 Ca 0.13 1.51 0.12 0.00 -0.41 0.00 0.00 54.97 56.31 1bve s GLU 21 Cb 0.04 -3.32 -0.05 0.00 -1.78 0.00 0.00 34.13 29.03 1bve s GLU 21 CO -0.04 0.33 -0.23 0.00 -0.49 0.00 0.00 175.26 174.84 1bve s ALA 22 N -0.57 2.61 -0.37 5.21 0.00 -0.71 -4.31 121.76 123.61 1bve s ALA 22 Ca 0.45 -1.72 0.02 0.00 0.00 0.00 0.00 51.96 50.71 1bve s ALA 22 Cb -0.25 -0.31 0.11 0.00 0.00 0.00 0.00 23.12 22.66 1bve s ALA 22 CO 0.32 0.38 0.11 -1.17 0.00 0.00 0.00 175.76 175.40 1bve s LEU 23 N -2.94 4.86 -0.51 0.00 2.96 -0.47 -2.47 118.68 120.10 1bve s LEU 23 Ca 0.24 -2.20 -0.35 0.00 -0.22 0.00 0.00 54.13 51.60 1bve s LEU 23 Cb -0.07 -1.68 -0.14 0.00 0.50 0.00 0.00 46.19 44.80 1bve s LEU 23 CO 0.11 -0.41 2.31 0.18 -1.32 0.00 0.00 176.35 177.23 1bve n LEU 24 N 4.24 1.58 -4.17 -0.68 4.77 -1.16 -3.08 117.00 118.49 1bve n LEU 24 Ca 0.03 0.28 -0.39 0.00 -0.03 0.00 0.00 56.01 55.90 1bve n LEU 24 Cb 0.41 -1.18 -0.09 0.00 -2.33 0.00 0.00 43.42 40.22 1bve n LEU 24 CO 0.26 -0.85 -0.04 -0.62 -1.33 0.00 0.00 177.39 174.80 1bve s ASP 25 N 8.10 5.55 0.00 -1.43 2.15 -0.75 -4.87 116.67 125.41 1bve s ASP 25 Ca 1.15 -2.10 0.18 0.00 0.43 0.00 0.00 52.55 52.20 1bve s ASP 25 Cb -0.95 -1.94 0.91 0.00 -0.30 0.00 0.00 42.92 40.64 1bve s ASP 25 CO 0.49 -0.60 1.52 0.41 -0.17 0.00 0.00 175.17 176.81 1bve n THR 26 N 4.59 0.42 0.05 1.71 -1.04 -1.26 -2.64 114.28 116.11 1bve n THR 26 Ca -0.03 0.11 -0.13 0.00 -2.04 0.00 0.00 64.05 61.96 1bve n THR 26 Cb 0.41 -0.82 -0.14 0.00 -1.82 0.00 0.00 70.33 67.97 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 2.89 0.17 -1.77 3.41 0.00 -1.92 -3.45 103.07 102.40 1bve h GLY 27 Ca 0.00 -0.43 -0.50 0.00 0.00 0.00 0.00 47.33 46.40 1bve h GLY 27 CO 0.00 0.38 0.23 0.00 0.00 0.00 0.00 176.54 177.15 1bve s ALA 28 N -2.64 3.28 -0.62 3.60 0.00 -1.08 -4.98 121.76 119.32 1bve s ALA 28 Ca -0.05 -0.33 0.21 0.00 0.00 0.00 0.00 51.96 51.78 1bve s ALA 28 Cb 0.08 -2.79 -0.26 0.00 0.00 0.00 0.00 23.12 20.15 1bve s ALA 28 CO 0.84 -0.48 0.72 -0.25 0.00 0.00 0.00 175.76 176.59 1bve n ASP 29 N -2.43 0.68 -2.58 0.00 9.92 -1.26 -1.28 116.55 119.60 1bve n ASP 29 Ca 0.03 -0.62 -0.10 0.00 -0.53 0.00 0.00 54.79 53.56 1bve n ASP 29 Cb 0.55 1.35 -0.03 0.00 -0.64 0.00 0.00 41.12 42.35 1bve n ASP 29 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1bve n ASP 30 N -1.76 1.55 -4.12 -2.24 2.03 -1.26 -0.69 116.55 110.05 1bve n ASP 30 Ca 0.01 -1.81 -0.37 0.00 0.52 0.00 0.00 54.79 53.13 1bve n ASP 30 Cb 0.40 0.30 -0.08 0.00 -0.72 0.00 0.00 41.12 41.02 1bve n ASP 30 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1bve s THR 31 N -1.96 4.15 1.14 5.18 2.01 -1.16 0.33 115.64 125.33 1bve s THR 31 Ca 0.05 -3.24 -0.16 0.00 0.31 0.00 0.00 61.69 58.65 1bve s THR 31 Cb 0.00 -3.64 0.26 0.00 0.01 0.00 0.00 72.50 69.13 1bve s THR 31 CO 0.04 -0.97 1.07 0.54 -0.69 0.00 0.00 174.62 174.61 1bve s VAL 32 N -0.51 1.79 -0.30 3.82 0.11 0.37 -0.50 120.40 125.17 1bve s VAL 32 Ca 0.21 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.13 1bve s VAL 32 Cb -0.15 -2.39 0.17 0.00 -1.53 0.00 0.00 36.38 32.49 1bve s VAL 32 CO -0.07 0.00 0.96 -0.22 -3.33 0.00 0.00 175.10 172.44 1bve s LEU 33 N -6.89 -0.64 0.35 2.54 2.96 0.40 -0.91 118.68 116.49 1bve s LEU 33 Ca 0.68 0.63 -0.12 0.00 -0.22 0.00 0.00 54.13 55.10 1bve s LEU 33 Cb -0.16 1.63 -0.10 0.00 0.50 0.00 0.00 46.19 48.06 1bve s LEU 33 CO 0.58 -0.12 -0.09 1.21 -1.32 0.00 0.00 176.35 176.61 1bve n GLU 34 N 5.21 0.00 -1.15 1.98 2.13 -1.12 -2.79 120.64 124.90 1bve n GLU 34 Ca -0.07 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.37 1bve n GLU 34 Cb 0.53 -0.69 -0.01 0.00 0.27 0.00 0.00 31.44 31.54 1bve n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1bve n GLU 35 N 1.04 0.00 -1.37 5.31 2.13 0.14 -4.49 120.64 123.40 1bve n GLU 35 Ca 0.06 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.87 1bve n GLU 35 Cb 0.33 -0.87 0.00 0.00 0.27 0.00 0.00 31.44 31.17 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 1.09 0.08 -3.77 5.31 0.00 -1.26 -4.95 117.12 113.62 1bve n MET 36 Ca 0.11 -0.19 -0.30 0.00 0.00 0.00 0.00 57.70 57.32 1bve n MET 36 Cb 0.31 0.22 -0.13 0.00 0.00 0.00 0.00 33.22 33.62 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 -1.17 3.82 0.81 3.17 0.15 -1.26 -5.08 113.70 114.14 1bve s SER 37 Ca 0.02 -2.63 -0.11 0.00 0.70 0.00 0.00 55.95 53.93 1bve s SER 37 Cb -0.00 -1.15 0.10 0.00 -1.71 0.00 0.00 66.02 63.25 1bve s SER 37 CO 0.01 -0.27 1.16 -0.76 1.20 0.00 0.00 173.24 174.58 1bve s LEU 38 N 0.32 2.62 0.00 3.45 2.01 -1.26 -4.91 118.68 120.91 1bve s LEU 38 Ca 0.17 0.59 -0.02 0.00 0.01 0.00 0.00 54.13 54.88 1bve s LEU 38 Cb -0.24 -3.04 -0.09 0.00 0.01 0.00 0.00 46.19 42.83 1bve s LEU 38 CO -0.01 -1.98 2.49 -0.81 1.01 0.00 0.00 176.35 177.05 1bve n PRO 39 N -3.30 1.30 -2.24 1.29 -0.04 -1.26 -4.87 135.00 125.89 1bve n PRO 39 Ca 0.09 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 1bve n PRO 39 Cb 0.61 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 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 1.87 -4.32 0.00 0.55 0.00 -1.26 -5.02 105.19 97.01 1bve n GLY 40 Ca 0.15 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 1.89 0.00 -4.26 1.61 5.12 -1.26 -5.18 116.66 114.59 1bve n ARG 41 Ca 0.00 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.73 1bve n ARG 41 Cb 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.22 1bve n ARG 41 CO 0.00 0.00 0.00 1.67 -1.93 0.00 0.00 177.63 177.37 1bve s TRP 42 N 0.00 1.67 0.14 -1.55 1.48 -1.26 -4.57 118.94 114.84 1bve s TRP 42 Ca 0.00 -1.62 0.05 0.00 -1.06 0.00 0.00 56.10 53.47 1bve s TRP 42 Cb 0.00 -0.63 -0.04 0.00 -1.16 0.00 0.00 33.47 31.64 1bve s TRP 42 CO 0.00 -0.91 -0.11 0.15 -4.06 0.00 0.00 176.95 172.02 1bve s LYS 43 N -3.39 1.05 0.31 3.25 -0.14 -1.09 -4.94 119.74 114.78 1bve s LYS 43 Ca 0.39 -1.37 -0.28 0.00 -1.36 0.00 0.00 55.97 53.36 1bve s LYS 43 Cb 0.02 -0.72 -0.09 0.00 -1.68 0.00 0.00 37.83 35.35 1bve s LYS 43 CO 0.27 0.11 1.04 -1.25 -0.76 0.00 0.00 175.35 174.75 1bve s PRO 44 N -3.34 4.56 0.23 -1.68 0.04 -1.26 -0.25 135.00 133.30 1bve s PRO 44 Ca 0.14 1.62 -0.09 0.00 0.04 0.00 0.00 61.00 62.70 1bve s PRO 44 Cb -0.00 -3.01 -0.01 0.00 0.04 0.00 0.00 34.50 31.51 1bve s PRO 44 CO 0.02 0.20 0.37 0.21 0.04 0.00 0.00 177.00 177.84 1bve s LYS 45 N -1.71 1.42 -0.19 4.56 2.36 -0.91 -4.74 119.74 120.54 1bve s LYS 45 Ca 0.48 -1.34 -0.04 0.00 -2.55 0.00 0.00 55.97 52.51 1bve s LYS 45 Cb -0.27 0.41 0.08 0.00 -1.05 0.00 0.00 37.83 37.01 1bve s LYS 45 CO 0.34 -0.56 0.20 1.41 1.55 0.00 0.00 175.35 178.29 1bve s MET 46 N -4.05 0.16 0.06 4.03 1.75 -1.26 -1.55 119.30 118.44 1bve s MET 46 Ca 0.26 0.21 -0.14 0.00 -1.25 0.00 0.00 55.69 54.78 1bve s MET 46 Cb 0.02 -1.18 -0.06 0.00 2.84 0.00 0.00 34.83 36.45 1bve s MET 46 CO 0.09 -0.62 0.46 0.96 -0.65 0.00 0.00 175.02 175.26 1bve s ILE 47 N 2.30 4.97 -0.29 10.11 -4.36 -0.75 -4.88 121.20 128.30 1bve s ILE 47 Ca 0.06 0.78 0.02 0.00 -0.26 0.00 0.00 60.65 61.25 1bve s ILE 47 Cb -0.15 -3.72 0.08 0.00 1.25 0.00 0.00 42.46 39.91 1bve s ILE 47 CO -0.11 0.42 -0.01 -0.83 0.24 0.00 0.00 174.94 174.65 1bve s GLY 48 N -1.41 1.60 0.00 6.27 0.00 -1.26 -0.51 107.32 112.01 1bve s GLY 48 Ca 0.30 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 43.08 1bve s GLY 48 CO 0.17 0.93 0.00 0.61 0.00 0.00 0.00 173.10 174.81 1bve n GLY 49 N 4.47 2.41 3.65 0.20 0.00 -1.01 -4.96 105.19 109.96 1bve n GLY 49 Ca -0.05 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 3.06 4.91 0.00 -0.61 1.01 -1.26 -4.21 121.20 124.10 1bve s ILE 50 Ca 0.00 1.42 0.00 0.00 0.00 0.00 0.00 60.65 62.07 1bve s ILE 50 Cb 0.00 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.42 1bve s ILE 50 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.56 1bve n GLY 51 N 3.76 2.85 0.00 6.18 0.00 -1.26 -4.95 105.19 111.77 1bve n GLY 51 Ca 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.58 3.56 -0.02 0.00 -1.26 -5.14 105.19 101.76 1bve n GLY 52 Ca 0.00 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.07 3.10 -0.12 1.61 0.40 -1.26 -2.39 117.98 116.25 1bve s PHE 53 Ca 0.00 -0.12 -0.03 0.00 -0.60 0.00 0.00 56.93 56.18 1bve s PHE 53 Cb 0.00 -1.95 -0.03 0.00 0.51 0.00 0.00 43.02 41.54 1bve s PHE 53 CO 0.00 0.10 -0.02 0.96 0.70 0.00 0.00 175.22 176.96 1bve s ILE 54 N 0.13 4.10 0.50 0.64 -4.36 0.34 -4.87 121.20 117.68 1bve s ILE 54 Ca 0.01 -0.30 -0.21 0.00 -0.26 0.00 0.00 60.65 59.88 1bve s ILE 54 Cb -0.13 -2.76 -0.07 0.00 1.25 0.00 0.00 42.46 40.75 1bve s ILE 54 CO 0.02 0.54 1.12 -0.54 0.24 0.00 0.00 174.94 176.32 1bve s LYS 55 N -0.21 3.61 0.00 0.37 3.01 -1.26 -1.81 119.74 123.44 1bve s LYS 55 Ca 0.05 1.62 0.00 0.00 -1.01 0.00 0.00 55.97 56.62 1bve s LYS 55 Cb -0.13 -2.18 0.00 0.00 -1.01 0.00 0.00 37.83 34.51 1bve s LYS 55 CO 0.02 -0.64 0.00 1.33 0.51 0.00 0.00 175.35 176.57 1bve n VAL 56 N -0.90 0.00 -3.73 3.17 0.24 -0.59 -3.54 118.33 112.98 1bve n VAL 56 Ca 0.09 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.11 1bve n VAL 56 Cb 0.50 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.71 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 -1.93 0.69 -0.47 7.34 1.81 0.33 -2.14 118.95 124.57 1bve s ARG 57 Ca 0.00 -0.72 -0.27 0.00 -1.72 0.00 0.00 55.73 53.02 1bve s ARG 57 Cb 0.00 -2.00 -0.05 0.00 -0.45 0.00 0.00 34.95 32.45 1bve s ARG 57 CO 0.00 -0.81 2.22 -1.14 -0.68 0.00 0.00 175.30 174.88 1bve s GLN 58 N 1.76 2.44 -0.88 3.54 0.74 0.66 -1.97 119.66 125.94 1bve s GLN 58 Ca 0.04 1.31 -0.18 0.00 0.05 0.00 0.00 55.36 56.58 1bve s GLN 58 Cb -0.17 -4.48 0.15 0.00 1.10 0.00 0.00 33.01 29.61 1bve s GLN 58 CO -0.17 -2.90 1.01 0.71 -0.55 0.00 0.00 175.29 173.38 1bve s TYR 59 N 10.61 3.28 -0.11 1.67 2.02 -0.71 -2.67 117.35 131.45 1bve s TYR 59 Ca 0.90 -1.52 -0.30 0.00 -0.37 0.00 0.00 57.07 55.78 1bve s TYR 59 Cb -0.18 -4.14 -0.01 0.00 -0.40 0.00 0.00 41.96 37.22 1bve s TYR 59 CO 0.26 -1.35 1.05 -0.51 -1.57 0.00 0.00 175.55 173.44 1bve s ASP 60 N 3.23 7.19 0.00 2.29 1.01 -1.26 -1.23 116.67 127.89 1bve s ASP 60 Ca 0.27 1.57 0.00 0.00 0.71 0.00 0.00 52.55 55.11 1bve s ASP 60 Cb -0.07 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.30 1bve s ASP 60 CO -0.08 -0.50 0.00 0.00 0.21 0.00 0.00 175.17 174.80 1bve n GLN 61 N 5.21 0.00 -4.04 8.23 1.13 -1.01 -4.96 117.38 121.94 1bve n GLN 61 Ca 0.10 0.05 -0.33 0.00 -1.94 0.00 0.00 57.00 54.87 1bve n GLN 61 Cb 0.48 -0.88 -0.15 0.00 0.11 0.00 0.00 30.24 29.80 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 -2.58 2.45 -1.07 5.09 -1.09 -0.14 -4.80 121.20 119.05 1bve s ILE 62 Ca 0.00 -1.07 -0.24 0.00 -2.23 0.00 0.00 60.65 57.12 1bve s ILE 62 Cb 0.00 -2.19 -0.09 0.00 -1.58 0.00 0.00 42.46 38.61 1bve s ILE 62 CO 0.00 0.31 1.97 -0.22 -1.23 0.00 0.00 174.94 175.77 1bve s LEU 63 N 1.28 3.02 -0.41 2.97 1.98 -1.26 -1.47 118.68 124.80 1bve s LEU 63 Ca 0.01 -1.23 -0.22 0.00 -2.89 0.00 0.00 54.13 49.80 1bve s LEU 63 Cb -0.16 -2.58 0.02 0.00 0.66 0.00 0.00 46.19 44.13 1bve s LEU 63 CO -0.08 -3.14 0.70 -0.51 -1.89 0.00 0.00 176.35 171.43 1bve s ILE 64 N 11.36 4.78 -0.25 6.68 2.07 0.57 -4.25 121.20 142.16 1bve s ILE 64 Ca 0.71 0.45 -0.19 0.00 -1.41 0.00 0.00 60.65 60.22 1bve s ILE 64 Cb -0.03 -4.20 -0.03 0.00 0.13 0.00 0.00 42.46 38.33 1bve s ILE 64 CO 0.09 -0.53 0.54 -0.70 -1.91 0.00 0.00 174.94 172.44 1bve s GLU 65 N 2.97 4.09 -0.24 3.50 2.56 -0.97 -2.20 118.70 128.41 1bve s GLU 65 Ca 0.27 0.39 -0.07 0.00 0.00 0.00 0.00 54.97 55.56 1bve s GLU 65 Cb -0.13 -3.64 -0.03 0.00 2.00 0.00 0.00 34.13 32.33 1bve s GLU 65 CO 0.19 -0.35 0.05 0.42 -0.56 0.00 0.00 175.26 175.01 1bve s ILE 66 N 2.29 4.18 0.00 -3.70 1.09 -1.11 -1.99 121.20 121.95 1bve s ILE 66 Ca 0.23 -0.22 0.00 0.00 -1.10 0.00 0.00 60.65 59.56 1bve s ILE 66 Cb -0.16 -2.94 0.00 0.00 -1.06 0.00 0.00 42.46 38.31 1bve s ILE 66 CO 0.09 0.36 0.00 0.00 -0.10 0.00 0.00 174.94 175.29 1bve n GLY 68 N 0.00 1.10 2.91 0.00 0.00 -1.26 -5.01 105.19 102.92 1bve n GLY 68 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.17 2.68 0.26 1.61 4.02 -0.52 -5.09 115.29 118.08 1bve s HIS 69 Ca 0.26 -2.20 -0.31 0.00 1.02 0.00 0.00 55.06 53.83 1bve s HIS 69 Cb 0.29 -2.10 -0.12 0.00 -1.02 0.00 0.00 32.58 29.63 1bve s HIS 69 CO -0.12 -0.87 1.63 1.63 1.02 0.00 0.00 174.74 178.03 1bve n LYS 70 N 4.57 2.70 -3.88 1.40 5.02 -1.26 -2.77 118.16 123.95 1bve n LYS 70 Ca -0.03 0.97 -0.10 0.00 -2.02 0.00 0.00 58.31 57.12 1bve n LYS 70 Cb 0.43 -2.77 -0.09 0.00 -0.02 0.00 0.00 35.03 32.58 1bve n LYS 70 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bve s ALA 71 N 0.37 -0.24 0.21 7.82 0.00 -0.94 -4.94 121.76 124.05 1bve s ALA 71 Ca 0.68 -0.39 0.11 0.00 0.00 0.00 0.00 51.96 52.35 1bve s ALA 71 Cb -0.51 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 1bve s ALA 71 CO 0.43 -0.35 -0.21 0.42 0.00 0.00 0.00 175.76 176.05 1bve s ILE 72 N -2.60 2.26 -0.56 0.00 -1.09 -1.26 0.21 121.20 118.16 1bve s ILE 72 Ca -0.05 -2.13 0.00 0.00 -2.23 0.00 0.00 60.65 56.25 1bve s ILE 72 Cb -0.01 -2.12 0.00 0.00 -1.58 0.00 0.00 42.46 38.75 1bve s ILE 72 CO -0.04 -0.26 0.00 0.61 -1.23 0.00 0.00 174.94 174.02 1bve n GLY 73 N -0.01 -1.28 3.48 6.18 0.00 -0.54 -4.82 105.19 108.19 1bve n GLY 73 Ca -0.10 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.22 4.64 -0.46 2.61 2.01 -1.25 -0.96 115.64 120.00 1bve s THR 74 Ca 0.00 -0.18 -0.16 0.00 0.31 0.00 0.00 61.69 61.66 1bve s THR 74 Cb 0.00 -4.43 0.05 0.00 0.01 0.00 0.00 72.50 68.13 1bve s THR 74 CO 0.00 -0.98 0.42 -0.69 -0.69 0.00 0.00 174.62 172.67 1bve s VAL 75 N 3.26 5.16 -0.20 3.82 1.01 -0.37 -2.97 120.40 130.11 1bve s VAL 75 Ca 0.22 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 1bve s VAL 75 Cb -0.16 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1bve s VAL 75 CO 0.15 -0.53 1.06 -0.76 0.00 0.00 0.00 175.10 175.02 1bve s LEU 76 N 1.88 4.13 -0.16 3.92 1.02 0.34 -1.74 118.68 128.07 1bve s LEU 76 Ca 0.07 1.44 -0.05 0.00 0.02 0.00 0.00 54.13 55.61 1bve s LEU 76 Cb -0.21 -3.54 -0.03 0.00 0.02 0.00 0.00 46.19 42.42 1bve s LEU 76 CO 0.09 -0.65 -0.00 -0.69 0.02 0.00 0.00 176.35 175.12 1bve s VAL 77 N 3.05 4.20 0.00 -1.59 1.01 -0.83 0.15 120.40 126.39 1bve s VAL 77 Ca 0.46 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1bve s VAL 77 Cb -0.16 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1bve s VAL 77 CO 0.09 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1bve n GLY 78 N 3.43 2.78 1.54 4.51 0.00 -1.12 0.12 105.19 116.45 1bve n GLY 78 Ca -0.17 -0.72 -0.05 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.94 1.61 -0.04 -1.23 0.27 135.00 133.89 1bve n PRO 79 Ca 0.00 -0.44 -0.40 0.00 -0.04 0.00 0.00 63.50 62.62 1bve n PRO 79 Cb 0.00 -1.17 -0.05 0.00 -0.04 0.00 0.00 33.50 32.24 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 -0.62 4.66 -1.32 0.52 -1.32 -1.26 -4.92 115.64 111.38 1bve s THR 80 Ca 0.09 1.70 0.00 0.00 -1.21 0.00 0.00 61.69 62.27 1bve s THR 80 Cb 0.07 -4.15 0.00 0.00 -1.51 0.00 0.00 72.50 66.91 1bve s THR 80 CO 0.00 0.37 0.61 -0.81 -2.21 0.00 0.00 174.62 172.58 1bve n PRO 81 N 2.69 0.92 -3.45 7.08 -0.04 -1.26 -3.90 135.00 137.05 1bve n PRO 81 Ca -0.02 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.31 1bve n PRO 81 Cb 0.50 -1.32 -0.03 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.32 0.00 -0.19 0.52 1.01 -1.26 -5.01 120.40 114.16 1bve s VAL 82 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 1bve s VAL 82 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 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 -2.37 6.45 -0.20 3.32 -0.87 -1.26 -2.80 114.94 117.20 1bve s ASN 83 Ca -0.01 0.53 -0.04 0.00 -1.57 0.00 0.00 52.86 51.77 1bve s ASN 83 Cb -0.01 -2.23 -0.01 0.00 -0.02 0.00 0.00 41.25 38.98 1bve s ASN 83 CO -0.08 -0.04 -0.05 -0.63 -2.57 0.00 0.00 177.10 173.73 1bve s ILE 84 N 1.13 3.44 -0.97 0.60 -1.09 -0.09 -1.37 121.20 122.85 1bve s ILE 84 Ca 0.19 -0.48 -0.12 0.00 -2.23 0.00 0.00 60.65 58.00 1bve s ILE 84 Cb -0.14 -2.55 0.23 0.00 -1.58 0.00 0.00 42.46 38.42 1bve s ILE 84 CO 0.07 0.44 0.96 -0.63 -1.23 0.00 0.00 174.94 174.56 1bve s ILE 85 N 1.20 5.68 0.00 2.92 1.09 -1.18 -0.48 121.20 130.44 1bve s ILE 85 Ca 0.02 -2.80 0.00 0.00 -1.10 0.00 0.00 60.65 56.77 1bve s ILE 85 Cb -0.14 -4.57 0.00 0.00 -1.06 0.00 0.00 42.46 36.69 1bve s ILE 85 CO -0.01 -1.15 0.00 0.61 -0.10 0.00 0.00 174.94 174.29 1bve n GLY 86 N 3.57 -0.48 0.25 6.18 0.00 0.15 -1.81 105.19 113.05 1bve n GLY 86 Ca 0.20 -1.56 0.01 0.00 0.00 0.00 0.00 46.02 44.67 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 0.35 -0.54 1.61 3.08 -1.11 -0.05 114.38 117.73 1bve h ARG 87 Ca 0.00 -0.08 0.11 0.00 0.07 0.00 0.00 59.98 60.08 1bve h ARG 87 Cb 0.00 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1bve h ARG 87 CO 0.00 0.47 0.37 -2.95 -1.07 0.00 0.00 179.97 176.79 1bve h ASN 88 N 0.33 0.21 0.00 7.04 -1.07 -1.14 -1.69 115.58 119.27 1bve h ASN 88 Ca 0.07 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.44 1bve h ASN 88 Cb 0.39 -0.04 0.00 0.00 -2.07 0.00 0.00 38.32 36.61 1bve h ASN 88 CO 0.02 0.12 -1.59 0.18 0.07 0.00 0.00 177.43 176.23 1bve n LEU 89 N -4.45 0.00 -0.01 6.14 7.99 -1.05 -4.16 117.00 121.47 1bve n LEU 89 Ca 0.09 -0.00 -0.08 0.00 -0.01 0.00 0.00 56.01 56.01 1bve n LEU 89 Cb 0.44 0.00 0.09 0.00 -0.11 0.00 0.00 43.42 43.84 1bve n LEU 89 CO 0.35 0.00 0.57 -0.07 -1.51 0.00 0.00 177.39 176.72 1bve h LEU 90 N 0.00 0.62 -1.09 2.23 3.38 -0.66 -2.16 115.31 117.64 1bve h LEU 90 Ca 0.00 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1bve h LEU 90 Cb 0.60 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1bve h LEU 90 CO 0.00 0.98 -0.05 0.71 0.09 0.00 0.00 178.44 180.16 1bve h THR 91 N 0.47 0.12 -0.28 0.22 1.35 -1.53 -0.21 112.91 113.05 1bve h THR 91 Ca 0.03 -0.75 -0.19 0.00 -0.55 0.00 0.00 66.41 64.95 1bve h THR 91 Cb 0.95 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1bve h THR 91 CO 0.09 0.05 -0.55 1.56 -0.25 0.00 0.00 175.52 176.41 1bve h GLN 92 N 0.00 0.87 -0.01 4.72 1.08 -1.56 -2.49 115.11 117.72 1bve h GLN 92 Ca -0.00 -0.56 0.00 0.00 -1.45 0.00 0.00 58.65 56.64 1bve h GLN 92 Cb 0.67 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1bve h GLN 92 CO 0.01 1.19 -0.06 0.44 -0.95 0.00 0.00 178.83 179.46 1bve n ILE 93 N -4.02 0.00 -2.74 2.54 -5.35 -1.07 -4.94 119.36 103.79 1bve n ILE 93 Ca -0.05 -0.11 -0.10 0.00 -0.27 0.00 0.00 62.75 62.22 1bve n ILE 93 Cb 0.63 0.05 0.05 0.00 -1.74 0.00 0.00 39.64 38.63 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 1.19 -0.58 3.84 3.28 0.00 -0.57 -4.90 105.19 107.44 1bve n GLY 94 Ca 0.18 0.33 -0.32 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.27 3.12 -0.07 4.61 0.00 -0.20 -5.00 121.76 120.95 1bve s ALA 95 Ca 0.31 0.23 -0.03 0.00 0.00 0.00 0.00 51.96 52.48 1bve s ALA 95 Cb -0.04 -3.04 0.04 0.00 0.00 0.00 0.00 23.12 20.08 1bve s ALA 95 CO 0.52 0.04 0.14 0.95 0.00 0.00 0.00 175.76 177.41 1bve s THR 96 N -2.30 -0.14 -0.79 0.00 -4.23 -1.26 -4.90 115.64 102.01 1bve s THR 96 Ca 0.59 0.27 -0.19 0.00 -1.18 0.00 0.00 61.69 61.18 1bve s THR 96 Cb -0.10 -0.24 0.12 0.00 1.34 0.00 0.00 72.50 73.62 1bve s THR 96 CO 0.21 0.11 0.98 -0.76 -0.54 0.00 0.00 174.62 174.62 1bve s LEU 97 N 1.68 5.10 -0.18 4.79 1.02 -1.26 -5.01 118.68 124.82 1bve s LEU 97 Ca -0.03 -1.73 -0.07 0.00 0.02 0.00 0.00 54.13 52.32 1bve s LEU 97 Cb -0.12 -2.37 -0.04 0.00 0.02 0.00 0.00 46.19 43.68 1bve s LEU 97 CO -0.05 -1.12 0.05 0.20 0.02 0.00 0.00 176.35 175.44 1bve s ASN 98 N 3.53 5.45 0.00 2.29 0.02 -1.26 -5.31 114.94 119.65 1bve s ASN 98 Ca 0.25 0.02 0.00 0.00 -1.02 0.00 0.00 52.86 52.11 1bve s ASN 98 Cb -0.12 -1.93 0.00 0.00 0.02 0.00 0.00 41.25 39.22 1bve s ASN 98 CO -0.02 0.15 0.00 2.22 0.02 0.00 0.00 177.10 179.48