#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 4.25 -0.06 -0.52 -0.44 -1.26 -5.05 119.66 116.58 1bve s GLN 2 Ca 0.00 0.92 -0.00 0.00 -2.50 0.00 0.00 55.36 53.78 1bve s GLN 2 Cb 0.00 -2.73 0.02 0.00 -1.64 0.00 0.00 33.01 28.67 1bve s GLN 2 CO 0.00 0.30 -0.03 0.08 0.50 0.00 0.00 175.29 176.14 1bve s VAL 3 N -1.68 0.54 -0.03 1.34 1.01 -1.26 -4.94 120.40 115.38 1bve s VAL 3 Ca 0.48 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.45 1bve s VAL 3 Cb -0.15 -0.61 0.06 0.00 0.00 0.00 0.00 36.38 35.67 1bve s VAL 3 CO 0.20 0.26 0.88 0.35 0.00 0.00 0.00 175.10 176.79 1bve n THR 4 N 4.60 0.67 -1.51 3.92 -2.24 -1.26 -5.01 114.28 113.44 1bve n THR 4 Ca -0.16 -0.74 -0.27 0.00 -2.27 0.00 0.00 64.05 60.60 1bve n THR 4 Cb 0.50 0.51 -0.17 0.00 -2.10 0.00 0.00 70.33 69.06 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 -0.43 -0.32 0.17 3.22 4.32 -1.26 -4.62 117.00 118.07 1bve n LEU 5 Ca 0.03 -0.46 0.03 0.00 -0.02 0.00 0.00 56.01 55.60 1bve n LEU 5 Cb 0.49 -0.85 0.17 0.00 -1.62 0.00 0.00 43.42 41.61 1bve n LEU 5 CO 0.00 -1.39 0.78 -0.50 -1.22 0.00 0.00 177.39 175.06 1bve h TRP 6 N 12.06 0.00 0.00 -1.77 4.06 -2.05 -3.35 115.95 124.90 1bve h TRP 6 Ca -0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.94 1bve h TRP 6 Cb 1.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 1bve h TRP 6 CO 1.25 0.00 0.00 1.04 -3.56 0.00 0.00 178.44 177.17 1bve n GLN 7 N -1.91 0.00 -4.63 0.49 6.02 -1.26 -5.08 117.38 111.01 1bve n GLN 7 Ca -0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 1bve n GLN 7 Cb 0.57 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.71 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 2.56 3.01 -1.55 -1.09 0.52 -1.26 -5.01 118.95 116.14 1bve s ARG 8 Ca 0.00 -0.58 -0.11 0.00 -0.52 0.00 0.00 55.73 54.53 1bve s ARG 8 Cb 0.00 -2.64 -0.03 0.00 0.52 0.00 0.00 34.95 32.80 1bve s ARG 8 CO 0.00 0.51 2.69 -0.35 0.02 0.00 0.00 175.30 178.17 1bve n PRO 9 N 2.69 3.54 -3.02 3.54 -0.04 -1.26 -4.94 135.00 135.50 1bve n PRO 9 Ca -0.18 -2.45 -0.39 0.00 -0.04 0.00 0.00 63.50 60.44 1bve n PRO 9 Cb 0.53 -2.93 -0.06 0.00 -0.04 0.00 0.00 33.50 31.00 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 0.54 4.57 0.02 1.53 1.43 -1.25 -3.13 118.68 122.40 1bve s LEU 10 Ca 0.61 1.59 -0.01 0.00 -1.03 0.00 0.00 54.13 55.30 1bve s LEU 10 Cb 0.17 -3.27 -0.02 0.00 0.03 0.00 0.00 46.19 43.10 1bve s LEU 10 CO -0.07 0.21 -0.02 0.68 0.23 0.00 0.00 176.35 177.38 1bve s VAL 11 N -1.17 0.13 -0.68 -1.59 -7.23 -0.84 -4.86 120.40 104.16 1bve s VAL 11 Ca 0.35 -1.04 -0.24 0.00 -1.81 0.00 0.00 61.98 59.25 1bve s VAL 11 Cb -0.22 -0.48 0.06 0.00 0.56 0.00 0.00 36.38 36.30 1bve s VAL 11 CO 0.25 -0.57 1.04 -0.89 -0.31 0.00 0.00 175.10 174.62 1bve s THR 12 N -1.86 4.17 0.42 5.32 2.01 -1.26 -0.39 115.64 124.06 1bve s THR 12 Ca -0.12 -0.18 -0.02 0.00 0.31 0.00 0.00 61.69 61.68 1bve s THR 12 Cb -0.07 -4.74 -0.03 0.00 0.01 0.00 0.00 72.50 67.67 1bve s THR 12 CO -0.02 -1.56 0.66 0.27 -0.69 0.00 0.00 174.62 173.28 1bve s ILE 13 N 4.47 4.77 -0.41 1.82 -4.36 -0.07 -4.57 121.20 122.85 1bve s ILE 13 Ca 0.25 -0.24 0.01 0.00 -0.26 0.00 0.00 60.65 60.42 1bve s ILE 13 Cb -0.15 -3.77 0.11 0.00 1.25 0.00 0.00 42.46 39.90 1bve s ILE 13 CO 0.11 -0.61 0.16 -0.75 0.24 0.00 0.00 174.94 174.10 1bve s LYS 14 N -4.53 1.81 -0.16 0.37 2.20 -0.65 -2.11 119.74 116.68 1bve s LYS 14 Ca 0.44 -2.02 -0.01 0.00 -0.36 0.00 0.00 55.97 54.03 1bve s LYS 14 Cb -0.10 -3.39 -0.01 0.00 -1.51 0.00 0.00 37.83 32.82 1bve s LYS 14 CO 0.40 -1.03 -0.11 0.42 -0.36 0.00 0.00 175.35 174.67 1bve s ILE 15 N 0.74 3.11 -1.17 5.43 -1.09 -0.77 -1.81 121.20 125.64 1bve s ILE 15 Ca 0.11 -0.62 -0.01 0.00 -2.23 0.00 0.00 60.65 57.91 1bve s ILE 15 Cb -0.21 -2.34 0.00 0.00 -1.58 0.00 0.00 42.46 38.33 1bve s ILE 15 CO -0.05 0.50 0.08 0.61 -1.23 0.00 0.00 174.94 174.85 1bve n GLY 16 N 3.90 -0.19 2.44 6.18 0.00 -1.26 -1.55 105.19 114.70 1bve n GLY 16 Ca -0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.06 0.39 3.83 -0.02 0.00 -1.26 -4.89 105.19 102.17 1bve n GLY 17 Ca -0.15 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.19 2.54 -0.12 1.61 -1.52 -0.60 -5.10 119.66 115.29 1bve s GLN 18 Ca 0.00 -1.48 0.01 0.00 -1.95 0.00 0.00 55.36 51.94 1bve s GLN 18 Cb 0.00 -2.34 0.02 0.00 -0.22 0.00 0.00 33.01 30.47 1bve s GLN 18 CO 0.00 -0.04 -0.13 -0.51 -0.25 0.00 0.00 175.29 174.36 1bve s LEU 19 N -4.02 1.60 0.26 2.90 1.43 -1.26 -1.85 118.68 117.74 1bve s LEU 19 Ca 0.43 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1bve s LEU 19 Cb -0.03 -1.04 -0.03 0.00 0.03 0.00 0.00 46.19 45.11 1bve s LEU 19 CO 0.26 -0.03 0.21 -0.54 0.23 0.00 0.00 176.35 176.48 1bve s LYS 20 N 1.23 1.46 0.97 1.70 -0.14 -0.89 -4.97 119.74 119.09 1bve s LYS 20 Ca -0.02 -1.78 -0.16 0.00 -1.36 0.00 0.00 55.97 52.65 1bve s LYS 20 Cb -0.14 0.30 0.20 0.00 -1.68 0.00 0.00 37.83 36.51 1bve s LYS 20 CO -0.05 -0.52 1.30 -1.21 -0.76 0.00 0.00 175.35 174.11 1bve s GLU 21 N -3.83 0.63 -0.26 1.68 2.02 -1.26 -0.89 118.70 116.79 1bve s GLU 21 Ca 0.39 -0.34 -0.03 0.00 0.02 0.00 0.00 54.97 55.01 1bve s GLU 21 Cb 0.05 -1.84 0.15 0.00 0.10 0.00 0.00 34.13 32.58 1bve s GLU 21 CO 0.18 -2.43 0.47 0.00 0.02 0.00 0.00 175.26 173.50 1bve s ALA 22 N -3.80 -1.53 -0.78 5.21 0.00 0.48 -4.40 121.76 116.94 1bve s ALA 22 Ca 0.73 1.38 -0.20 0.00 0.00 0.00 0.00 51.96 53.87 1bve s ALA 22 Cb -0.05 -1.79 0.10 0.00 0.00 0.00 0.00 23.12 21.38 1bve s ALA 22 CO 0.53 -1.19 1.01 -1.17 0.00 0.00 0.00 175.76 174.94 1bve s LEU 23 N 2.68 4.81 -0.91 0.00 2.96 -0.46 -1.99 118.68 125.78 1bve s LEU 23 Ca 0.12 -1.53 -0.28 0.00 -0.22 0.00 0.00 54.13 52.22 1bve s LEU 23 Cb -0.15 -2.40 -0.20 0.00 0.50 0.00 0.00 46.19 43.94 1bve s LEU 23 CO -0.17 -1.23 2.60 0.18 -1.32 0.00 0.00 176.35 176.40 1bve n LEU 24 N 7.01 0.51 -3.99 -0.68 4.77 -1.18 -2.74 117.00 120.69 1bve n LEU 24 Ca 0.08 -0.04 -0.40 0.00 -0.03 0.00 0.00 56.01 55.62 1bve n LEU 24 Cb 0.47 -1.01 -0.02 0.00 -2.33 0.00 0.00 43.42 40.52 1bve n LEU 24 CO 0.57 -0.98 0.76 -0.67 -1.33 0.00 0.00 177.39 175.75 1bve n ASP 25 N 11.16 5.45 0.28 -1.43 -0.08 0.07 -4.81 116.55 127.19 1bve n ASP 25 Ca 0.61 -3.30 0.16 0.00 -1.51 0.00 0.00 54.79 50.75 1bve n ASP 25 Cb 0.14 -1.16 0.88 0.00 2.34 0.00 0.00 41.12 43.32 1bve n ASP 25 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1bve h THR 26 N 3.53 0.00 -0.32 5.18 2.02 -1.86 -0.43 112.91 121.03 1bve h THR 26 Ca 0.19 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.33 1bve h THR 26 Cb 0.70 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1bve h THR 26 CO 1.11 0.00 0.06 1.23 0.37 0.00 0.00 175.52 178.29 1bve h GLY 27 N 0.00 0.57 -1.13 2.16 0.00 -1.90 -3.41 103.07 99.36 1bve h GLY 27 Ca 0.00 -0.37 -0.49 0.00 0.00 0.00 0.00 47.33 46.46 1bve h GLY 27 CO 0.00 0.35 0.35 0.00 0.00 0.00 0.00 176.54 177.24 1bve s ALA 28 N -5.22 2.44 -0.57 3.60 0.00 -0.17 -4.97 121.76 116.87 1bve s ALA 28 Ca -0.13 -0.15 0.23 0.00 0.00 0.00 0.00 51.96 51.90 1bve s ALA 28 Cb 0.09 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 1bve s ALA 28 CO 0.75 -1.52 0.94 -0.25 0.00 0.00 0.00 175.76 175.69 1bve n ASP 29 N -3.30 0.59 -0.57 0.00 9.92 -1.26 -2.61 116.55 119.32 1bve n ASP 29 Ca 0.07 -0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 1bve n ASP 29 Cb 0.56 0.97 0.00 0.00 -0.64 0.00 0.00 41.12 42.00 1bve n ASP 29 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1bve n ASP 30 N -1.97 0.10 -4.28 -2.24 9.92 -1.26 -2.11 116.55 114.71 1bve n ASP 30 Ca 0.01 -0.54 -0.45 0.00 -0.53 0.00 0.00 54.79 53.28 1bve n ASP 30 Cb 0.44 0.00 -0.03 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 -1.47 5.30 -0.39 -3.53 2.01 -1.16 -0.48 115.64 115.92 1bve s THR 31 Ca 0.00 -2.73 -0.29 0.00 0.31 0.00 0.00 61.69 58.98 1bve s THR 31 Cb 0.00 -4.28 0.02 0.00 0.01 0.00 0.00 72.50 68.25 1bve s THR 31 CO 0.00 -1.03 1.14 0.54 -0.69 0.00 0.00 174.62 174.58 1bve s VAL 32 N -0.12 4.32 -0.10 3.82 0.11 -0.92 0.11 120.40 127.62 1bve s VAL 32 Ca 0.20 1.45 0.01 0.00 -2.93 0.00 0.00 61.98 60.71 1bve s VAL 32 Cb -0.12 -4.46 -0.02 0.00 -1.53 0.00 0.00 36.38 30.26 1bve s VAL 32 CO -0.08 -0.71 -0.15 -0.76 -3.33 0.00 0.00 175.10 170.07 1bve s LEU 33 N 4.13 2.62 1.01 2.54 1.02 -0.33 -0.31 118.68 129.37 1bve s LEU 33 Ca 0.48 -0.33 -0.21 0.00 0.02 0.00 0.00 54.13 54.09 1bve s LEU 33 Cb -0.11 -1.56 -0.11 0.00 0.02 0.00 0.00 46.19 44.43 1bve s LEU 33 CO 0.24 0.21 -0.81 1.21 0.02 0.00 0.00 176.35 177.22 1bve n GLU 34 N 3.21 -0.27 -1.71 1.70 0.00 -1.14 -2.22 120.64 120.21 1bve n GLU 34 Ca -0.18 -0.07 -0.41 0.00 0.00 0.00 0.00 57.16 56.50 1bve n GLU 34 Cb 0.53 -1.21 0.01 0.00 0.00 0.00 0.00 31.44 30.77 1bve n GLU 34 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1bve n GLU 35 N 1.28 1.94 -0.13 5.31 0.00 0.17 -4.28 120.64 124.93 1bve n GLU 35 Ca -0.00 0.69 0.00 0.00 0.00 0.00 0.00 57.16 57.85 1bve n GLU 35 Cb 0.64 -2.41 0.00 0.00 0.00 0.00 0.00 31.44 29.67 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 -0.01 0.00 -3.64 5.31 0.00 -1.26 -4.98 117.12 112.54 1bve n MET 36 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 57.70 57.38 1bve n MET 36 Cb 0.40 0.00 -0.12 0.00 0.00 0.00 0.00 33.22 33.50 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 1.65 5.60 0.01 3.17 0.15 -1.26 -5.07 113.70 117.96 1bve s SER 37 Ca 0.00 -0.58 0.01 0.00 0.70 0.00 0.00 55.95 56.07 1bve s SER 37 Cb 0.00 -2.01 -0.01 0.00 -1.71 0.00 0.00 66.02 62.29 1bve s SER 37 CO 0.00 -0.22 -0.03 -0.22 1.20 0.00 0.00 173.24 173.96 1bve s LEU 38 N 1.61 2.14 0.67 3.45 2.96 -1.26 -4.60 118.68 123.65 1bve s LEU 38 Ca 0.04 -0.31 -0.13 0.00 -0.22 0.00 0.00 54.13 53.51 1bve s LEU 38 Cb -0.17 -0.03 0.00 0.00 0.50 0.00 0.00 46.19 46.49 1bve s LEU 38 CO 0.06 -0.14 1.08 -2.16 -1.32 0.00 0.00 176.35 173.87 1bve s PRO 39 N -0.87 2.87 0.00 0.98 0.04 -1.26 -5.03 135.00 131.72 1bve s PRO 39 Ca -0.08 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1bve s PRO 39 Cb -0.06 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1bve s PRO 39 CO -0.00 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.28 1bve n GLY 40 N -1.14 -1.73 1.55 0.56 0.00 -1.26 -4.68 105.19 98.50 1bve n GLY 40 Ca 0.09 -0.58 -0.04 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.20 -1.43 -4.69 1.61 1.74 -1.26 -4.91 116.66 107.51 1bve n ARG 41 Ca 0.00 0.19 -0.31 0.00 -0.77 0.00 0.00 57.85 56.96 1bve n ARG 41 Cb 0.00 -3.22 -0.08 0.00 -1.02 0.00 0.00 32.46 28.14 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 -3.08 1.88 -0.06 -1.55 1.48 -1.26 -3.65 118.94 112.69 1bve s TRP 42 Ca 0.00 -1.03 -0.02 0.00 -1.06 0.00 0.00 56.10 53.99 1bve s TRP 42 Cb -0.00 -1.50 0.03 0.00 -1.16 0.00 0.00 33.47 30.84 1bve s TRP 42 CO 0.16 0.11 0.06 0.15 -4.06 0.00 0.00 176.95 173.37 1bve s LYS 43 N -3.83 0.01 0.25 3.25 1.02 -0.62 -4.81 119.74 115.02 1bve s LYS 43 Ca 0.12 0.28 -0.30 0.00 0.02 0.00 0.00 55.97 56.09 1bve s LYS 43 Cb 0.02 -0.76 -0.09 0.00 -0.52 0.00 0.00 37.83 36.49 1bve s LYS 43 CO 0.07 -0.38 1.09 -1.25 -0.92 0.00 0.00 175.35 173.96 1bve s PRO 44 N 2.14 4.63 0.13 -1.68 0.04 -1.26 -0.61 135.00 138.40 1bve s PRO 44 Ca 0.05 1.77 -0.05 0.00 0.04 0.00 0.00 61.00 62.80 1bve s PRO 44 Cb -0.13 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.21 1bve s PRO 44 CO -0.04 0.18 0.25 0.36 0.04 0.00 0.00 177.00 177.79 1bve n LYS 45 N 1.59 0.37 -3.71 4.56 2.85 -1.02 -4.97 118.16 117.84 1bve n LYS 45 Ca 0.00 -0.73 -0.20 0.00 -1.05 0.00 0.00 58.31 56.33 1bve n LYS 45 Cb 0.45 0.90 -0.18 0.00 -0.65 0.00 0.00 35.03 35.56 1bve n LYS 45 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1bve s MET 46 N -2.03 0.11 0.11 -1.58 -1.94 -1.26 -2.08 119.30 110.62 1bve s MET 46 Ca 0.05 0.30 -0.13 0.00 -1.71 0.00 0.00 55.69 54.19 1bve s MET 46 Cb -0.02 -0.62 -0.06 0.00 2.01 0.00 0.00 34.83 36.14 1bve s MET 46 CO 0.04 -0.31 0.49 0.96 -0.01 0.00 0.00 175.02 176.19 1bve s ILE 47 N 2.05 4.94 -0.06 2.53 -4.36 -0.68 -4.85 121.20 120.77 1bve s ILE 47 Ca 0.04 0.75 0.05 0.00 -0.26 0.00 0.00 60.65 61.23 1bve s ILE 47 Cb -0.12 -3.72 -0.01 0.00 1.25 0.00 0.00 42.46 39.86 1bve s ILE 47 CO -0.04 0.31 -0.23 -0.83 0.24 0.00 0.00 174.94 174.40 1bve s GLY 48 N -1.62 1.34 0.00 6.27 0.00 -1.26 -0.71 107.32 111.33 1bve s GLY 48 Ca 0.34 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 44.04 1bve s GLY 48 CO 0.18 -0.61 0.00 0.61 0.00 0.00 0.00 173.10 173.28 1bve n GLY 49 N 2.96 3.00 3.58 0.20 0.00 -0.73 -4.98 105.19 109.23 1bve n GLY 49 Ca -0.18 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 1.10 4.28 0.00 -0.61 1.01 -1.26 -3.68 121.20 122.04 1bve s ILE 50 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.61 1bve s ILE 50 Cb 0.00 -4.56 0.00 0.00 0.01 0.00 0.00 42.46 37.91 1bve s ILE 50 CO 0.00 -1.00 0.00 0.61 0.00 0.00 0.00 174.94 174.55 1bve n GLY 51 N 4.93 1.57 0.00 6.18 0.00 -1.26 -5.01 105.19 111.60 1bve n GLY 51 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.06 0.05 3.45 -0.02 0.00 -1.24 -5.10 105.19 102.25 1bve n GLY 52 Ca 0.00 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.94 2.89 0.47 1.61 0.40 -1.26 -1.77 117.98 117.37 1bve s PHE 53 Ca 0.00 -0.41 0.08 0.00 -0.60 0.00 0.00 56.93 56.00 1bve s PHE 53 Cb 0.00 -1.85 0.01 0.00 0.51 0.00 0.00 43.02 41.70 1bve s PHE 53 CO 0.00 -0.06 0.48 0.96 0.70 0.00 0.00 175.22 177.31 1bve s ILE 54 N 0.13 2.44 -0.16 0.64 -4.36 0.11 -4.88 121.20 115.12 1bve s ILE 54 Ca -0.04 -1.26 -0.03 0.00 -0.26 0.00 0.00 60.65 59.06 1bve s ILE 54 Cb -0.14 -2.70 -0.02 0.00 1.25 0.00 0.00 42.46 40.84 1bve s ILE 54 CO 0.04 0.00 -0.05 -0.54 0.24 0.00 0.00 174.94 174.63 1bve s LYS 55 N -4.28 3.60 0.17 0.37 1.02 -1.26 -1.68 119.74 117.67 1bve s LYS 55 Ca 0.49 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 55.96 1bve s LYS 55 Cb -0.05 -2.88 -0.01 0.00 -0.52 0.00 0.00 37.83 34.37 1bve s LYS 55 CO 0.29 0.19 0.12 1.33 -0.92 0.00 0.00 175.35 176.36 1bve n VAL 56 N 3.67 0.00 -4.67 3.17 0.24 -0.88 -3.62 118.33 116.24 1bve n VAL 56 Ca -0.18 -1.15 -0.30 0.00 -2.04 0.00 0.00 64.34 60.67 1bve n VAL 56 Cb 0.52 0.53 -0.10 0.00 -1.47 0.00 0.00 33.84 33.33 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 -2.67 2.05 -0.38 7.34 1.81 -0.78 -2.42 118.95 123.90 1bve s ARG 57 Ca 0.16 -2.23 0.01 0.00 -1.72 0.00 0.00 55.73 51.96 1bve s ARG 57 Cb 0.01 -1.56 0.14 0.00 -0.45 0.00 0.00 34.95 33.09 1bve s ARG 57 CO 0.12 -0.19 0.23 -1.14 -0.68 0.00 0.00 175.30 173.63 1bve s GLN 58 N -3.78 0.80 -0.22 3.54 -0.44 0.22 -2.71 119.66 117.07 1bve s GLN 58 Ca 0.23 -1.58 -0.20 0.00 -2.50 0.00 0.00 55.36 51.31 1bve s GLN 58 Cb 0.06 -1.63 -0.02 0.00 -1.64 0.00 0.00 33.01 29.77 1bve s GLN 58 CO 0.12 -1.20 0.60 0.71 0.50 0.00 0.00 175.29 176.02 1bve s TYR 59 N 0.80 3.34 0.05 1.67 2.02 0.00 -1.58 117.35 123.64 1bve s TYR 59 Ca 0.18 0.84 -0.06 0.00 -0.37 0.00 0.00 57.07 57.67 1bve s TYR 59 Cb -0.22 -2.78 -0.05 0.00 -0.40 0.00 0.00 41.96 38.50 1bve s TYR 59 CO -0.00 -0.22 0.30 -0.51 -1.57 0.00 0.00 175.55 173.55 1bve s ASP 60 N 1.30 6.50 -0.38 2.29 1.01 -1.24 -1.22 116.67 124.93 1bve s ASP 60 Ca 0.27 0.56 -0.01 0.00 0.71 0.00 0.00 52.55 54.08 1bve s ASP 60 Cb -0.16 -2.09 -0.01 0.00 1.01 0.00 0.00 42.92 41.67 1bve s ASP 60 CO 0.10 0.19 0.35 0.00 0.21 0.00 0.00 175.17 176.01 1bve n GLN 61 N 0.80 -0.75 -4.05 8.23 6.02 0.93 -4.96 117.38 123.60 1bve n GLN 61 Ca -0.08 0.70 -0.32 0.00 -0.01 0.00 0.00 57.00 57.29 1bve n GLN 61 Cb 0.52 -3.37 -0.15 0.00 1.02 0.00 0.00 30.24 28.26 1bve n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1bve s ILE 62 N -3.07 2.19 -0.83 5.09 -1.09 -0.51 -4.78 121.20 118.20 1bve s ILE 62 Ca 0.08 -1.87 -0.21 0.00 -2.23 0.00 0.00 60.65 56.43 1bve s ILE 62 Cb -0.01 -2.41 -0.19 0.00 -1.58 0.00 0.00 42.46 38.27 1bve s ILE 62 CO 0.33 -0.22 2.22 -0.11 -1.23 0.00 0.00 174.94 175.92 1bve n LEU 63 N 4.38 0.78 -4.65 2.97 -0.00 -1.26 -2.85 117.00 116.36 1bve n LEU 63 Ca -0.08 -1.47 -0.40 0.00 -0.00 0.00 0.00 56.01 54.06 1bve n LEU 63 Cb 0.42 -1.37 -0.06 0.00 -0.00 0.00 0.00 43.42 42.41 1bve n LEU 63 CO 0.21 -2.51 0.37 -0.51 -0.00 0.00 0.00 177.39 174.95 1bve s ILE 64 N 11.24 5.02 -0.22 1.96 2.07 -0.14 -4.51 121.20 136.61 1bve s ILE 64 Ca 0.93 1.14 -0.21 0.00 -1.41 0.00 0.00 60.65 61.10 1bve s ILE 64 Cb -0.26 -3.93 -0.02 0.00 0.13 0.00 0.00 42.46 38.38 1bve s ILE 64 CO 0.20 0.08 0.64 -0.70 -1.91 0.00 0.00 174.94 173.25 1bve s GLU 65 N 2.13 4.17 -0.09 3.50 2.56 -0.75 -1.91 118.70 128.31 1bve s GLU 65 Ca 0.27 0.61 0.04 0.00 0.00 0.00 0.00 54.97 55.88 1bve s GLU 65 Cb -0.16 -3.61 -0.01 0.00 2.00 0.00 0.00 34.13 32.36 1bve s GLU 65 CO 0.09 -0.31 -0.21 0.42 -0.56 0.00 0.00 175.26 174.69 1bve s ILE 66 N 2.17 2.36 -1.41 -3.70 1.09 -0.29 -1.64 121.20 119.78 1bve s ILE 66 Ca 0.28 -0.93 -0.00 0.00 -1.10 0.00 0.00 60.65 58.90 1bve s ILE 66 Cb -0.16 -1.92 0.00 0.00 -1.06 0.00 0.00 42.46 39.33 1bve s ILE 66 CO 0.10 0.56 0.00 0.00 -0.10 0.00 0.00 174.94 175.49 1bve n GLY 68 N -2.44 -0.19 2.95 0.00 0.00 -1.26 -5.03 105.19 99.22 1bve n GLY 68 Ca -0.30 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.27 -0.11 -0.13 1.61 4.02 0.13 -5.12 115.29 112.42 1bve s HIS 69 Ca 0.09 0.30 -0.25 0.00 1.02 0.00 0.00 55.06 56.23 1bve s HIS 69 Cb -0.04 -0.01 -0.02 0.00 -1.02 0.00 0.00 32.58 31.48 1bve s HIS 69 CO 0.57 -0.08 0.78 0.15 1.02 0.00 0.00 174.74 177.17 1bve s LYS 70 N 0.38 4.35 -0.30 1.40 1.02 -1.26 -1.14 119.74 124.19 1bve s LYS 70 Ca -0.03 0.96 0.00 0.00 0.02 0.00 0.00 55.97 56.92 1bve s LYS 70 Cb -0.04 -3.52 0.14 0.00 -0.52 0.00 0.00 37.83 33.89 1bve s LYS 70 CO -0.01 -0.17 0.31 0.00 -0.92 0.00 0.00 175.35 174.56 1bve s ALA 71 N 1.59 -0.49 0.26 5.17 0.00 -0.81 -4.96 121.76 122.53 1bve s ALA 71 Ca 0.38 -0.37 -0.26 0.00 0.00 0.00 0.00 51.96 51.72 1bve s ALA 71 Cb -0.17 -1.84 -0.09 0.00 0.00 0.00 0.00 23.12 21.01 1bve s ALA 71 CO 0.15 -1.76 0.87 0.42 0.00 0.00 0.00 175.76 175.44 1bve s ILE 72 N 2.27 4.27 0.00 0.00 1.01 -1.26 -0.97 121.20 126.52 1bve s ILE 72 Ca 0.10 1.76 0.00 0.00 0.00 0.00 0.00 60.65 62.52 1bve s ILE 72 Cb -0.14 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1bve s ILE 72 CO -0.30 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.55 1bve n GLY 73 N 0.97 2.96 3.36 6.18 0.00 -1.13 -4.76 105.19 112.75 1bve n GLY 73 Ca -0.01 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.77 4.97 0.31 2.61 2.01 -1.26 -0.05 115.64 121.46 1bve s THR 74 Ca 0.00 -1.14 0.07 0.00 0.31 0.00 0.00 61.69 60.93 1bve s THR 74 Cb 0.00 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 1bve s THR 74 CO 0.00 -0.55 0.34 -0.69 -0.69 0.00 0.00 174.62 173.03 1bve s VAL 75 N 1.59 4.10 0.16 3.82 1.01 -0.36 -3.00 120.40 127.72 1bve s VAL 75 Ca 0.04 -1.20 0.06 0.00 0.00 0.00 0.00 61.98 60.87 1bve s VAL 75 Cb -0.24 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1bve s VAL 75 CO 0.06 -0.22 -0.12 -0.76 0.00 0.00 0.00 175.10 174.06 1bve s LEU 76 N -4.03 2.51 -0.22 3.92 1.02 0.12 -0.82 118.68 121.18 1bve s LEU 76 Ca 0.40 -0.97 -0.04 0.00 0.02 0.00 0.00 54.13 53.54 1bve s LEU 76 Cb -0.08 -0.47 0.09 0.00 0.02 0.00 0.00 46.19 45.75 1bve s LEU 76 CO 0.28 -0.25 0.17 -0.69 0.02 0.00 0.00 176.35 175.88 1bve s VAL 77 N -2.99 -0.21 0.00 -1.59 1.01 -1.10 -1.19 120.40 114.34 1bve s VAL 77 Ca 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1bve s VAL 77 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.63 1bve s VAL 77 CO 0.03 -0.38 0.00 0.61 0.00 0.00 0.00 175.10 175.36 1bve n GLY 78 N 5.29 4.25 1.58 4.51 0.00 -0.94 -1.86 105.19 118.01 1bve n GLY 78 Ca -0.06 -1.35 -0.02 0.00 0.00 0.00 0.00 46.02 44.60 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 1.13 -2.96 1.61 -0.04 -1.24 0.42 135.00 133.93 1bve n PRO 79 Ca 0.00 -0.14 -0.40 0.00 -0.04 0.00 0.00 63.50 62.92 1bve n PRO 79 Cb 0.00 -1.15 -0.05 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.16 4.83 -1.23 0.52 -1.32 -1.26 -4.93 115.64 112.42 1bve s THR 80 Ca 0.10 1.65 0.00 0.00 -1.21 0.00 0.00 61.69 62.22 1bve s THR 80 Cb 0.05 -4.13 0.00 0.00 -1.51 0.00 0.00 72.50 66.91 1bve s THR 80 CO 0.00 0.30 0.57 -0.81 -2.21 0.00 0.00 174.62 172.47 1bve n PRO 81 N 3.23 0.92 -3.83 7.08 -0.04 -1.26 -3.66 135.00 137.44 1bve n PRO 81 Ca -0.01 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.38 1bve n PRO 81 Cb 0.51 -1.35 -0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.23 0.00 -0.11 0.52 0.11 -1.26 -5.02 120.40 113.40 1bve s VAL 82 Ca 0.00 -0.96 -0.05 0.00 -2.93 0.00 0.00 61.98 58.04 1bve s VAL 82 Cb 0.00 -2.37 -0.04 0.00 -1.53 0.00 0.00 36.38 32.44 1bve s VAL 82 CO 0.00 0.00 0.09 0.20 -3.33 0.00 0.00 175.10 172.06 1bve s ASN 83 N -3.00 6.00 -0.37 3.54 0.01 -1.26 -2.86 114.94 117.00 1bve s ASN 83 Ca 0.13 0.35 0.01 0.00 -0.71 0.00 0.00 52.86 52.65 1bve s ASN 83 Cb -0.05 -1.88 0.12 0.00 0.41 0.00 0.00 41.25 39.84 1bve s ASN 83 CO 0.08 0.39 0.15 -0.63 -1.51 0.00 0.00 177.10 175.58 1bve s ILE 84 N -0.91 1.38 -0.99 0.60 -1.09 0.58 -1.35 121.20 119.41 1bve s ILE 84 Ca 0.14 -2.09 -0.23 0.00 -2.23 0.00 0.00 60.65 56.24 1bve s ILE 84 Cb -0.12 -2.00 0.04 0.00 -1.58 0.00 0.00 42.46 38.80 1bve s ILE 84 CO 0.03 -0.76 1.49 -0.63 -1.23 0.00 0.00 174.94 173.85 1bve s ILE 85 N 0.92 3.86 0.00 2.92 1.09 -1.11 -2.15 121.20 126.73 1bve s ILE 85 Ca 0.13 -0.66 0.00 0.00 -1.10 0.00 0.00 60.65 59.03 1bve s ILE 85 Cb -0.21 -4.94 0.00 0.00 -1.06 0.00 0.00 42.46 36.25 1bve s ILE 85 CO -0.11 -1.83 0.00 0.61 -0.10 0.00 0.00 174.94 173.50 1bve n GLY 86 N 6.80 -0.82 0.23 6.18 0.00 0.36 -0.76 105.19 117.19 1bve n GLY 86 Ca 0.32 -1.62 0.07 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 -0.82 1.61 2.47 -1.52 -1.53 114.38 114.59 1bve h ARG 87 Ca 0.00 0.00 0.12 0.00 -1.26 0.00 0.00 59.98 58.84 1bve h ARG 87 Cb 0.00 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.24 1bve h ARG 87 CO 0.00 0.17 0.44 -2.95 0.56 0.00 0.00 179.97 178.19 1bve h ASN 88 N 0.00 0.57 0.37 7.04 -1.07 -1.70 -1.58 115.58 119.21 1bve h ASN 88 Ca -0.00 0.07 -0.16 0.00 0.07 0.00 0.00 56.30 56.28 1bve h ASN 88 Cb 0.34 -0.03 -0.03 0.00 -2.07 0.00 0.00 38.32 36.53 1bve h ASN 88 CO 0.02 0.29 -1.78 0.18 0.07 0.00 0.00 177.43 176.21 1bve n LEU 89 N -4.82 0.42 0.00 6.14 7.99 -1.11 -3.83 117.00 121.79 1bve n LEU 89 Ca 0.15 0.18 0.07 0.00 -0.01 0.00 0.00 56.01 56.40 1bve n LEU 89 Cb 0.35 0.15 0.37 0.00 -0.11 0.00 0.00 43.42 44.18 1bve n LEU 89 CO 0.24 0.17 0.67 0.18 -1.51 0.00 0.00 177.39 177.13 1bve n LEU 90 N -2.67 0.00 -0.00 2.23 4.77 -0.59 -1.51 117.00 119.22 1bve n LEU 90 Ca -0.13 0.22 0.10 0.00 -0.03 0.00 0.00 56.01 56.17 1bve n LEU 90 Cb 0.83 -0.22 -0.13 0.00 -2.33 0.00 0.00 43.42 41.56 1bve n LEU 90 CO 0.44 -0.12 -0.28 0.35 -1.33 0.00 0.00 177.39 176.44 1bve n THR 91 N -1.22 0.00 0.01 -5.08 -2.24 -0.64 -0.59 114.28 104.51 1bve n THR 91 Ca 0.08 -0.17 -0.22 0.00 -2.27 0.00 0.00 64.05 61.46 1bve n THR 91 Cb 0.10 0.67 -0.14 0.00 -2.10 0.00 0.00 70.33 68.86 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 0.26 -0.01 -0.78 1.08 -1.44 -3.33 115.11 110.90 1bve h GLN 92 Ca 0.00 -0.45 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 1bve h GLN 92 Cb 0.64 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1bve h GLN 92 CO 0.00 1.21 -0.00 0.44 -0.95 0.00 0.00 178.83 179.53 1bve n ILE 93 N -3.60 0.00 -2.75 2.54 -5.35 -1.16 -4.91 119.36 104.14 1bve n ILE 93 Ca -0.31 -0.14 -0.08 0.00 -0.27 0.00 0.00 62.75 61.96 1bve n ILE 93 Cb 1.02 0.06 0.03 0.00 -1.74 0.00 0.00 39.64 39.01 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 1.10 0.32 3.77 3.28 0.00 -1.24 -4.84 105.19 107.58 1bve n GLY 94 Ca 0.21 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.12 3.24 -0.13 4.61 0.00 0.24 -5.02 121.76 121.58 1bve s ALA 95 Ca 0.13 0.92 -0.06 0.00 0.00 0.00 0.00 51.96 52.95 1bve s ALA 95 Cb -0.06 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 19.76 1bve s ALA 95 CO 0.26 -0.38 0.31 0.95 0.00 0.00 0.00 175.76 176.90 1bve s THR 96 N -1.37 -0.14 -0.79 0.00 -4.23 -1.26 -4.84 115.64 103.01 1bve s THR 96 Ca 0.53 0.16 -0.22 0.00 -1.18 0.00 0.00 61.69 60.98 1bve s THR 96 Cb -0.30 -0.47 0.08 0.00 1.34 0.00 0.00 72.50 73.15 1bve s THR 96 CO 0.38 0.06 1.11 -0.76 -0.54 0.00 0.00 174.62 174.88 1bve s LEU 97 N 1.58 4.33 -0.30 4.79 1.02 -1.26 -4.99 118.68 123.85 1bve s LEU 97 Ca -0.07 -1.29 -0.13 0.00 0.02 0.00 0.00 54.13 52.66 1bve s LEU 97 Cb -0.10 -2.45 -0.03 0.00 0.02 0.00 0.00 46.19 43.63 1bve s LEU 97 CO -0.10 -1.39 0.25 0.20 0.02 0.00 0.00 176.35 175.34 1bve s ASN 98 N 3.84 6.09 0.00 2.29 0.02 -1.26 -5.31 114.94 120.61 1bve s ASN 98 Ca 0.30 -0.12 0.00 0.00 -1.02 0.00 0.00 52.86 52.01 1bve s ASN 98 Cb -0.10 -2.15 0.00 0.00 0.02 0.00 0.00 41.25 39.02 1bve s ASN 98 CO 0.02 -0.16 0.09 2.22 0.02 0.00 0.00 177.10 179.29