#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 4.56 -0.03 0.54 0.74 -1.26 -5.05 119.66 119.16 1bve s GLN 2 Ca 0.00 1.15 0.02 0.00 0.05 0.00 0.00 55.36 56.58 1bve s GLN 2 Cb 0.00 -3.29 0.01 0.00 1.10 0.00 0.00 33.01 30.83 1bve s GLN 2 CO 0.00 0.48 -0.08 0.08 -0.55 0.00 0.00 175.29 175.22 1bve s VAL 3 N -0.83 0.75 0.00 1.34 1.01 -1.26 -5.03 120.40 116.38 1bve s VAL 3 Ca 0.37 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1bve s VAL 3 Cb -0.22 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1bve s VAL 3 CO 0.26 0.24 0.00 0.35 0.00 0.00 0.00 175.10 175.95 1bve n THR 4 N 3.45 0.00 -2.30 3.92 -2.24 -1.26 -4.98 114.28 110.87 1bve n THR 4 Ca -0.20 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.52 1bve n THR 4 Cb 0.54 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.75 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 -0.73 -0.12 -2.54 3.22 4.77 -1.26 -2.61 117.00 117.72 1bve n LEU 5 Ca 0.00 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1bve n LEU 5 Cb 0.00 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1bve n LEU 5 CO 0.00 0.01 0.00 0.79 -1.33 0.00 0.00 177.39 176.86 1bve n TRP 6 N -2.06 0.00 -3.64 -1.77 7.02 -1.26 -4.74 117.44 110.99 1bve n TRP 6 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 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 -0.88 0.00 -2.73 -0.99 6.02 -1.07 -5.11 117.38 112.62 1bve n GLN 7 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1bve n GLN 7 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 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 -1.59 4.31 -1.31 -1.09 0.52 -1.26 -4.93 118.95 113.59 1bve s ARG 8 Ca 0.00 1.27 -0.16 0.00 -0.52 0.00 0.00 55.73 56.33 1bve s ARG 8 Cb 0.00 -3.60 -0.00 0.00 0.52 0.00 0.00 34.95 31.87 1bve s ARG 8 CO 0.00 -0.47 2.17 -0.35 0.02 0.00 0.00 175.30 176.67 1bve n PRO 9 N 5.68 2.56 -2.94 3.54 -0.04 -1.26 -4.95 135.00 137.59 1bve n PRO 9 Ca 0.09 -2.43 -0.36 0.00 -0.04 0.00 0.00 63.50 60.76 1bve n PRO 9 Cb 0.47 -3.20 -0.06 0.00 -0.04 0.00 0.00 33.50 30.67 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 1.96 4.26 -0.03 1.53 1.02 -1.26 -2.25 118.68 123.91 1bve s LEU 10 Ca 0.49 1.60 -0.00 0.00 0.02 0.00 0.00 54.13 56.24 1bve s LEU 10 Cb 0.14 -3.94 0.03 0.00 0.02 0.00 0.00 46.19 42.44 1bve s LEU 10 CO -0.04 -0.09 0.02 0.68 0.02 0.00 0.00 176.35 176.94 1bve s VAL 11 N -1.70 0.05 -0.44 -1.59 -7.23 -0.78 -4.89 120.40 103.82 1bve s VAL 11 Ca 0.50 0.20 -0.27 0.00 -1.81 0.00 0.00 61.98 60.60 1bve s VAL 11 Cb -0.16 -0.19 -0.05 0.00 0.56 0.00 0.00 36.38 36.54 1bve s VAL 11 CO 0.21 0.14 2.20 -0.89 -0.31 0.00 0.00 175.10 176.44 1bve s THR 12 N 1.30 3.12 0.05 5.32 2.01 -1.26 -1.83 115.64 124.34 1bve s THR 12 Ca -0.06 0.10 -0.19 0.00 0.31 0.00 0.00 61.69 61.85 1bve s THR 12 Cb -0.13 -3.26 -0.06 0.00 0.01 0.00 0.00 72.50 69.06 1bve s THR 12 CO -0.03 -0.22 0.55 0.27 -0.69 0.00 0.00 174.62 174.50 1bve s ILE 13 N 10.21 4.81 -0.54 1.82 -4.36 -0.81 -4.24 121.20 128.08 1bve s ILE 13 Ca 0.91 1.16 -0.07 0.00 -0.26 0.00 0.00 60.65 62.39 1bve s ILE 13 Cb -0.20 -3.88 0.14 0.00 1.25 0.00 0.00 42.46 39.77 1bve s ILE 13 CO 0.28 0.54 0.39 -0.75 0.24 0.00 0.00 174.94 175.63 1bve s LYS 14 N -0.96 2.53 -0.22 0.37 2.20 -0.69 -3.02 119.74 119.95 1bve s LYS 14 Ca 0.28 -2.03 -0.03 0.00 -0.36 0.00 0.00 55.97 53.83 1bve s LYS 14 Cb -0.19 -3.87 -0.00 0.00 -1.51 0.00 0.00 37.83 32.25 1bve s LYS 14 CO 0.18 -1.18 -0.07 0.42 -0.36 0.00 0.00 175.35 174.34 1bve s ILE 15 N 0.86 3.17 -0.95 5.43 1.01 -0.98 -1.84 121.20 127.89 1bve s ILE 15 Ca 0.10 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1bve s ILE 15 Cb -0.22 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 39.81 1bve s ILE 15 CO -0.03 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.96 1bve n GLY 16 N 4.77 0.05 2.95 6.18 0.00 -1.26 -1.50 105.19 116.38 1bve n GLY 16 Ca -0.19 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.08 0.53 3.92 -0.02 0.00 -1.26 -4.88 105.19 102.41 1bve n GLY 17 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.47 3.30 -0.06 1.61 1.11 -0.56 -5.07 119.66 119.52 1bve s GLN 18 Ca 0.00 -0.08 0.00 0.00 0.01 0.00 0.00 55.36 55.29 1bve s GLN 18 Cb 0.00 -2.44 0.02 0.00 -1.01 0.00 0.00 33.01 29.58 1bve s GLN 18 CO 0.00 -0.26 -0.05 -0.51 0.01 0.00 0.00 175.29 174.49 1bve s LEU 19 N -4.68 1.14 0.15 2.90 1.43 -1.26 -2.33 118.68 116.03 1bve s LEU 19 Ca 0.48 -0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 53.28 1bve s LEU 19 Cb -0.10 -0.55 0.01 0.00 0.03 0.00 0.00 46.19 45.58 1bve s LEU 19 CO 0.42 -0.09 0.37 -0.54 0.23 0.00 0.00 176.35 176.74 1bve s LYS 20 N 1.30 1.15 0.16 1.70 1.02 -1.17 -5.01 119.74 118.90 1bve s LYS 20 Ca -0.05 -0.92 -0.30 0.00 0.02 0.00 0.00 55.97 54.72 1bve s LYS 20 Cb -0.14 0.44 -0.07 0.00 -0.52 0.00 0.00 37.83 37.54 1bve s LYS 20 CO -0.02 -0.45 0.99 -1.21 -0.92 0.00 0.00 175.35 173.74 1bve s GLU 21 N -3.88 4.71 0.15 1.68 2.02 -1.26 -1.93 118.70 120.20 1bve s GLU 21 Ca 0.09 1.52 0.08 0.00 0.02 0.00 0.00 54.97 56.69 1bve s GLU 21 Cb 0.02 -3.33 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 1bve s GLU 21 CO -0.06 0.26 -0.10 0.00 0.02 0.00 0.00 175.26 175.38 1bve s ALA 22 N -0.36 2.94 -0.71 5.21 0.00 -0.76 -4.33 121.76 123.74 1bve s ALA 22 Ca 0.46 -1.40 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 1bve s ALA 22 Cb -0.25 -0.78 0.18 0.00 0.00 0.00 0.00 23.12 22.27 1bve s ALA 22 CO 0.32 0.52 0.57 -1.17 0.00 0.00 0.00 175.76 176.00 1bve s LEU 23 N -2.61 5.61 -0.92 0.00 2.96 -0.66 -1.87 118.68 121.19 1bve s LEU 23 Ca 0.23 -2.96 -0.29 0.00 -0.22 0.00 0.00 54.13 50.89 1bve s LEU 23 Cb -0.10 -1.94 -0.20 0.00 0.50 0.00 0.00 46.19 44.45 1bve s LEU 23 CO 0.14 -0.38 2.63 0.18 -1.32 0.00 0.00 176.35 177.60 1bve n LEU 24 N 3.40 0.51 -4.16 -0.68 4.77 -0.95 -2.81 117.00 117.08 1bve n LEU 24 Ca 0.11 0.02 -0.39 0.00 -0.03 0.00 0.00 56.01 55.73 1bve n LEU 24 Cb 0.40 -1.00 -0.09 0.00 -2.33 0.00 0.00 43.42 40.39 1bve n LEU 24 CO 0.34 -0.90 -0.04 -0.62 -1.33 0.00 0.00 177.39 174.84 1bve s ASP 25 N 9.03 5.50 0.00 -1.43 -1.08 -0.50 -4.76 116.67 123.43 1bve s ASP 25 Ca 1.30 -2.19 0.20 0.00 -0.52 0.00 0.00 52.55 51.34 1bve s ASP 25 Cb -1.07 -1.92 0.97 0.00 -1.46 0.00 0.00 42.92 39.43 1bve s ASP 25 CO 0.46 -0.57 1.62 0.41 0.52 0.00 0.00 175.17 177.61 1bve n THR 26 N 4.46 0.45 0.08 1.71 -1.04 -1.26 -2.73 114.28 115.95 1bve n THR 26 Ca -0.02 0.11 -0.05 0.00 -2.04 0.00 0.00 64.05 62.06 1bve n THR 26 Cb 0.41 -0.78 -0.09 0.00 -1.82 0.00 0.00 70.33 68.04 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 3.28 0.00 -2.03 3.41 0.00 -1.90 -3.44 103.07 102.39 1bve h GLY 27 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 1bve h GLY 27 CO 0.00 0.00 0.03 0.00 0.00 0.00 0.00 176.54 176.57 1bve s ALA 28 N -2.76 3.52 -1.28 3.60 0.00 -1.10 -4.99 121.76 118.73 1bve s ALA 28 Ca 0.02 -0.79 0.21 0.00 0.00 0.00 0.00 51.96 51.40 1bve s ALA 28 Cb 0.10 -2.40 -0.16 0.00 0.00 0.00 0.00 23.12 20.66 1bve s ALA 28 CO 0.80 -0.46 0.93 -0.25 0.00 0.00 0.00 175.76 176.79 1bve n ASP 29 N -2.25 1.29 -3.07 0.00 9.92 -1.26 -1.59 116.55 119.58 1bve n ASP 29 Ca 0.01 -1.14 -0.18 0.00 -0.53 0.00 0.00 54.79 52.95 1bve n ASP 29 Cb 0.57 0.84 -0.06 0.00 -0.64 0.00 0.00 41.12 41.83 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 -1.03 0.26 -4.16 -2.24 8.00 -1.26 -1.09 116.55 115.02 1bve n ASP 30 Ca 0.05 -2.74 -0.39 0.00 0.71 0.00 0.00 54.79 52.42 1bve n ASP 30 Cb 0.36 1.09 -0.07 0.00 -0.02 0.00 0.00 41.12 42.48 1bve n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1bve s THR 31 N -2.93 4.33 1.13 -3.53 2.01 -1.17 0.30 115.64 115.77 1bve s THR 31 Ca 0.24 -2.97 -0.16 0.00 0.31 0.00 0.00 61.69 59.12 1bve s THR 31 Cb 0.01 -3.75 0.25 0.00 0.01 0.00 0.00 72.50 69.02 1bve s THR 31 CO 0.17 -0.95 1.09 0.54 -0.69 0.00 0.00 174.62 174.79 1bve s VAL 32 N -0.20 1.78 -0.30 3.82 0.11 0.16 -1.02 120.40 124.75 1bve s VAL 32 Ca 0.19 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.12 1bve s VAL 32 Cb -0.16 -2.46 0.15 0.00 -1.53 0.00 0.00 36.38 32.38 1bve s VAL 32 CO -0.06 0.00 0.82 -0.76 -3.33 0.00 0.00 175.10 171.77 1bve s LEU 33 N -6.79 -0.87 0.59 2.54 1.02 0.35 -1.40 118.68 114.12 1bve s LEU 33 Ca 0.68 1.15 -0.14 0.00 0.02 0.00 0.00 54.13 55.85 1bve s LEU 33 Cb -0.14 1.97 -0.12 0.00 0.02 0.00 0.00 46.19 47.92 1bve s LEU 33 CO 0.57 -0.17 -0.35 -0.62 0.02 0.00 0.00 176.35 175.80 1bve n GLU 34 N 5.22 0.00 -1.55 1.70 1.02 -1.01 -2.56 120.64 123.45 1bve n GLU 34 Ca -0.10 0.00 -0.47 0.00 -0.02 0.00 0.00 57.16 56.57 1bve n GLU 34 Cb 0.51 -0.80 -0.03 0.00 -0.02 0.00 0.00 31.44 31.10 1bve n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1bve n GLU 35 N 1.58 1.04 -3.63 3.49 0.00 0.44 -4.42 120.64 119.14 1bve n GLU 35 Ca 0.03 0.37 -0.09 0.00 0.00 0.00 0.00 57.16 57.47 1bve n GLU 35 Cb 0.41 -1.74 -0.02 0.00 0.00 0.00 0.00 31.44 30.09 1bve n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1bve s MET 36 N -0.95 1.40 -0.56 5.31 0.23 -1.26 -4.97 119.30 118.50 1bve s MET 36 Ca 0.66 -0.66 -0.22 0.00 -1.03 0.00 0.00 55.69 54.44 1bve s MET 36 Cb -0.81 0.55 0.06 0.00 -1.53 0.00 0.00 34.83 33.09 1bve s MET 36 CO 0.56 -0.63 0.81 0.45 -2.03 0.00 0.00 175.02 174.18 1bve s SER 37 N -2.80 6.26 -0.18 -1.18 0.15 -1.26 -5.01 113.70 109.67 1bve s SER 37 Ca 0.07 -0.75 0.01 0.00 0.70 0.00 0.00 55.95 55.97 1bve s SER 37 Cb -0.03 -2.37 0.03 0.00 -1.71 0.00 0.00 66.02 61.94 1bve s SER 37 CO -0.03 -1.14 -0.16 -0.22 1.20 0.00 0.00 173.24 172.89 1bve s LEU 38 N 3.39 2.09 -0.20 3.45 2.96 -1.26 -4.90 118.68 124.22 1bve s LEU 38 Ca 0.22 -0.68 -0.29 0.00 -0.22 0.00 0.00 54.13 53.16 1bve s LEU 38 Cb -0.17 -1.35 -0.00 0.00 0.50 0.00 0.00 46.19 45.17 1bve s LEU 38 CO 0.14 -0.05 1.13 -2.16 -1.32 0.00 0.00 176.35 174.09 1bve s PRO 39 N 1.36 4.26 0.00 0.98 0.04 -1.26 -4.91 135.00 135.46 1bve s PRO 39 Ca 0.03 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1bve s PRO 39 Cb -0.14 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.72 1bve s PRO 39 CO -0.11 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.69 1bve n GLY 40 N 3.43 -2.11 3.81 0.56 0.00 -1.26 -5.01 105.19 104.62 1bve n GLY 40 Ca 0.13 -1.39 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 1bve n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bve s ARG 41 N -1.89 4.28 0.05 1.61 1.81 -1.26 -5.07 118.95 118.47 1bve s ARG 41 Ca 0.00 0.91 0.00 0.00 -1.72 0.00 0.00 55.73 54.92 1bve s ARG 41 Cb 0.00 -2.85 -0.03 0.00 -0.45 0.00 0.00 34.95 31.62 1bve s ARG 41 CO 0.00 0.37 -0.04 1.67 -0.68 0.00 0.00 175.30 176.62 1bve s TRP 42 N -1.55 0.55 -0.05 -0.53 1.48 -1.26 -4.19 118.94 113.39 1bve s TRP 42 Ca 0.44 -0.83 0.06 0.00 -1.06 0.00 0.00 56.10 54.71 1bve s TRP 42 Cb -0.17 -0.37 -0.01 0.00 -1.16 0.00 0.00 33.47 31.76 1bve s TRP 42 CO 0.21 -0.25 -0.23 0.15 -4.06 0.00 0.00 176.95 172.77 1bve s LYS 43 N -3.00 2.28 0.01 3.25 1.02 -0.77 -4.76 119.74 117.77 1bve s LYS 43 Ca 0.00 -0.85 -0.30 0.00 0.02 0.00 0.00 55.97 54.84 1bve s LYS 43 Cb 0.01 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.28 1bve s LYS 43 CO -0.05 0.39 1.07 -1.25 -0.92 0.00 0.00 175.35 174.59 1bve s PRO 44 N -0.22 4.49 -0.06 -1.68 0.04 -1.26 0.13 135.00 136.44 1bve s PRO 44 Ca -0.01 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 1bve s PRO 44 Cb -0.12 -3.44 0.10 0.00 0.04 0.00 0.00 34.50 31.08 1bve s PRO 44 CO 0.02 -0.17 0.81 -1.59 0.04 0.00 0.00 177.00 176.12 1bve s LYS 45 N 1.20 0.88 0.07 4.56 -2.85 -0.99 -4.97 119.74 117.64 1bve s LYS 45 Ca 0.54 0.07 0.09 0.00 -1.00 0.00 0.00 55.97 55.67 1bve s LYS 45 Cb -0.24 0.41 -0.03 0.00 -2.06 0.00 0.00 37.83 35.91 1bve s LYS 45 CO 0.27 -0.30 -0.23 0.00 0.10 0.00 0.00 175.35 175.19 1bve s MET 46 N -1.69 1.79 0.06 1.78 0.23 -1.26 -1.14 119.30 119.07 1bve s MET 46 Ca -0.04 -1.14 0.01 0.00 -1.03 0.00 0.00 55.69 53.49 1bve s MET 46 Cb -0.00 -2.05 -0.04 0.00 -1.53 0.00 0.00 34.83 31.21 1bve s MET 46 CO 0.02 0.50 0.14 0.96 -2.03 0.00 0.00 175.02 174.62 1bve s ILE 47 N -0.95 4.99 -0.26 3.16 -4.36 -0.92 -4.90 121.20 117.96 1bve s ILE 47 Ca 0.14 -0.54 0.02 0.00 -0.26 0.00 0.00 60.65 60.01 1bve s ILE 47 Cb -0.10 -3.41 0.05 0.00 1.25 0.00 0.00 42.46 40.25 1bve s ILE 47 CO 0.05 0.15 -0.10 -0.83 0.24 0.00 0.00 174.94 174.46 1bve s GLY 48 N -2.39 1.64 0.00 6.27 0.00 -1.26 -0.99 107.32 110.59 1bve s GLY 48 Ca 0.31 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.35 1bve s GLY 48 CO 0.24 0.58 0.00 0.61 0.00 0.00 0.00 173.10 174.53 1bve n GLY 49 N 4.50 3.42 3.72 0.20 0.00 -0.96 -4.98 105.19 111.09 1bve n GLY 49 Ca -0.15 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 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 2.72 5.16 0.00 -0.61 1.01 -1.26 -4.11 121.20 124.12 1bve s ILE 50 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.68 1bve s ILE 50 Cb 0.00 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.62 1bve s ILE 50 CO 0.00 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.87 1bve n GLY 51 N 3.22 3.08 0.00 6.18 0.00 -1.26 -4.89 105.19 111.51 1bve n GLY 51 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.35 0.03 3.51 -0.02 0.00 -1.26 -5.10 105.19 101.01 1bve n GLY 52 Ca 0.00 -1.49 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.85 3.00 0.54 1.61 0.40 -1.26 -2.27 117.98 117.14 1bve s PHE 53 Ca 0.00 -0.25 0.07 0.00 -0.60 0.00 0.00 56.93 56.14 1bve s PHE 53 Cb 0.00 -1.90 0.05 0.00 0.51 0.00 0.00 43.02 41.68 1bve s PHE 53 CO 0.00 0.04 0.50 0.96 0.70 0.00 0.00 175.22 177.42 1bve s ILE 54 N 0.10 1.86 -0.07 0.64 -5.25 -0.17 -4.92 121.20 113.40 1bve s ILE 54 Ca -0.01 -1.35 0.02 0.00 -0.99 0.00 0.00 60.65 58.31 1bve s ILE 54 Cb -0.14 -2.21 -0.03 0.00 2.95 0.00 0.00 42.46 43.03 1bve s ILE 54 CO 0.03 0.00 -0.11 -0.54 -1.79 0.00 0.00 174.94 172.53 1bve s LYS 55 N -4.37 2.70 0.18 0.37 -0.14 -1.26 -2.17 119.74 115.05 1bve s LYS 55 Ca 0.42 -0.63 0.00 0.00 -1.36 0.00 0.00 55.97 54.40 1bve s LYS 55 Cb -0.03 -2.50 -0.00 0.00 -1.68 0.00 0.00 37.83 33.62 1bve s LYS 55 CO 0.26 0.60 0.23 1.33 -0.76 0.00 0.00 175.35 177.01 1bve n VAL 56 N 2.39 0.00 -4.69 3.17 0.24 -0.29 -3.53 118.33 115.61 1bve n VAL 56 Ca -0.18 -0.98 -0.31 0.00 -2.04 0.00 0.00 64.34 60.84 1bve n VAL 56 Cb 0.53 0.57 -0.08 0.00 -1.47 0.00 0.00 33.84 33.39 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 -2.47 2.12 -0.28 7.34 0.52 -0.01 -2.33 118.95 123.83 1bve s ARG 57 Ca 0.16 -2.34 -0.03 0.00 -0.52 0.00 0.00 55.73 53.01 1bve s ARG 57 Cb -0.00 -1.27 0.09 0.00 0.52 0.00 0.00 34.95 34.29 1bve s ARG 57 CO 0.11 -0.39 0.10 -1.14 0.02 0.00 0.00 175.30 174.01 1bve s GLN 58 N -3.83 0.46 -0.49 3.54 0.74 0.12 -2.83 119.66 117.37 1bve s GLN 58 Ca 0.11 -0.73 -0.19 0.00 0.05 0.00 0.00 55.36 54.60 1bve s GLN 58 Cb 0.02 -1.65 0.05 0.00 1.10 0.00 0.00 33.01 32.53 1bve s GLN 58 CO 0.06 -0.95 0.60 0.71 -0.55 0.00 0.00 175.29 175.16 1bve s TYR 59 N 1.87 3.07 -0.20 1.67 2.02 -0.81 -1.85 117.35 123.12 1bve s TYR 59 Ca 0.08 -0.49 -0.22 0.00 -0.37 0.00 0.00 57.07 56.07 1bve s TYR 59 Cb -0.17 -3.44 -0.02 0.00 -0.40 0.00 0.00 41.96 37.93 1bve s TYR 59 CO -0.28 -0.97 0.67 -0.51 -1.57 0.00 0.00 175.55 172.89 1bve s ASP 60 N 2.53 6.73 0.00 2.29 1.01 -1.26 -1.81 116.67 126.16 1bve s ASP 60 Ca 0.15 0.89 0.00 0.00 0.71 0.00 0.00 52.55 54.30 1bve s ASP 60 Cb -0.19 -2.37 0.00 0.00 1.01 0.00 0.00 42.92 41.38 1bve s ASP 60 CO 0.13 -0.30 0.00 0.00 0.21 0.00 0.00 175.17 175.20 1bve n GLN 61 N 5.13 0.00 -4.18 8.23 1.13 -0.68 -4.96 117.38 122.04 1bve n GLN 61 Ca -0.00 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.72 1bve n GLN 61 Cb 0.49 -1.05 -0.15 0.00 0.11 0.00 0.00 30.24 29.65 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 -2.70 2.74 -1.00 5.09 -1.09 -0.44 -4.80 121.20 119.00 1bve s ILE 62 Ca 0.00 -0.72 -0.23 0.00 -2.23 0.00 0.00 60.65 57.47 1bve s ILE 62 Cb 0.00 -2.19 -0.01 0.00 -1.58 0.00 0.00 42.46 38.68 1bve s ILE 62 CO 0.00 0.49 1.77 -0.22 -1.23 0.00 0.00 174.94 175.75 1bve s LEU 63 N 1.19 3.31 -0.30 2.97 2.96 -1.26 -1.68 118.68 125.87 1bve s LEU 63 Ca 0.02 -1.16 -0.24 0.00 -0.22 0.00 0.00 54.13 52.52 1bve s LEU 63 Cb -0.14 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 43.98 1bve s LEU 63 CO -0.05 -2.27 0.82 -0.51 -1.32 0.00 0.00 176.35 173.01 1bve s ILE 64 N 8.13 4.77 -0.29 6.68 2.07 0.48 -4.46 121.20 138.58 1bve s ILE 64 Ca 0.61 1.28 -0.23 0.00 -1.41 0.00 0.00 60.65 60.90 1bve s ILE 64 Cb -0.03 -4.17 -0.00 0.00 0.13 0.00 0.00 42.46 38.39 1bve s ILE 64 CO -0.02 -0.25 0.76 -0.70 -1.91 0.00 0.00 174.94 172.82 1bve s GLU 65 N 3.01 4.01 -0.20 3.50 2.12 -0.77 -2.42 118.70 127.95 1bve s GLU 65 Ca 0.34 0.61 -0.04 0.00 0.36 0.00 0.00 54.97 56.24 1bve s GLU 65 Cb -0.14 -3.71 -0.02 0.00 0.26 0.00 0.00 34.13 30.53 1bve s GLU 65 CO 0.12 -0.61 -0.03 0.42 -0.54 0.00 0.00 175.26 174.62 1bve s ILE 66 N 2.85 3.63 -1.30 -3.70 1.09 -1.17 -1.71 121.20 120.90 1bve s ILE 66 Ca 0.31 -0.42 -0.11 0.00 -1.10 0.00 0.00 60.65 59.33 1bve s ILE 66 Cb -0.15 -2.63 0.09 0.00 -1.06 0.00 0.00 42.46 38.72 1bve s ILE 66 CO 0.11 0.44 0.50 0.00 -0.10 0.00 0.00 174.94 175.89 1bve n GLY 68 N -1.14 0.36 2.91 0.00 0.00 -1.26 -5.01 105.19 101.06 1bve n GLY 68 Ca 0.01 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 1bve n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bve s HIS 69 N -2.59 3.00 -0.75 1.61 4.02 0.13 -5.04 115.29 115.68 1bve s HIS 69 Ca 0.06 -2.98 -0.33 0.00 1.02 0.00 0.00 55.06 52.83 1bve s HIS 69 Cb -0.02 -2.64 -0.18 0.00 -1.02 0.00 0.00 32.58 28.72 1bve s HIS 69 CO 0.07 -0.78 2.50 1.63 1.02 0.00 0.00 174.74 179.18 1bve n LYS 70 N 3.40 0.31 -4.72 1.40 5.02 -1.26 -3.07 118.16 119.24 1bve n LYS 70 Ca 0.05 0.03 -0.25 0.00 -2.02 0.00 0.00 58.31 56.12 1bve n LYS 70 Cb 0.34 -1.95 -0.16 0.00 -0.02 0.00 0.00 35.03 33.24 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 8.88 1.40 0.13 7.82 0.00 -1.02 -4.99 121.76 133.98 1bve s ALA 71 Ca 1.24 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 52.68 1bve s ALA 71 Cb -1.06 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 1bve s ALA 71 CO 0.48 0.20 0.04 0.42 0.00 0.00 0.00 175.76 176.90 1bve s ILE 72 N 0.32 4.11 0.00 0.00 1.01 -1.26 0.18 121.20 125.57 1bve s ILE 72 Ca -0.09 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.47 1bve s ILE 72 Cb -0.13 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.31 1bve s ILE 72 CO 0.03 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1bve n GLY 73 N 0.18 0.83 3.43 6.18 0.00 -0.67 -4.83 105.19 110.30 1bve n GLY 73 Ca -0.10 -0.76 -0.44 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.18 5.17 -0.27 2.61 2.01 -1.26 -1.33 115.64 120.40 1bve s THR 74 Ca 0.00 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.11 1bve s THR 74 Cb 0.00 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 1bve s THR 74 CO 0.00 -0.53 0.13 -0.69 -0.69 0.00 0.00 174.62 172.84 1bve s VAL 75 N 1.85 4.74 0.14 3.82 1.01 -0.75 -3.03 120.40 128.18 1bve s VAL 75 Ca 0.07 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 1bve s VAL 75 Cb -0.21 -3.26 -0.07 0.00 0.00 0.00 0.00 36.38 32.84 1bve s VAL 75 CO 0.09 0.27 0.61 -0.76 0.00 0.00 0.00 175.10 175.31 1bve s LEU 76 N 1.67 4.42 -0.15 3.92 1.02 -0.19 -1.93 118.68 127.45 1bve s LEU 76 Ca 0.06 1.24 0.00 0.00 0.02 0.00 0.00 54.13 55.46 1bve s LEU 76 Cb -0.16 -3.21 0.03 0.00 0.02 0.00 0.00 46.19 42.87 1bve s LEU 76 CO 0.07 0.15 -0.10 -0.69 0.02 0.00 0.00 176.35 175.80 1bve s VAL 77 N -1.34 1.33 0.00 -1.59 1.01 -1.13 0.13 120.40 118.82 1bve s VAL 77 Ca 0.36 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1bve s VAL 77 Cb -0.17 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.87 1bve s VAL 77 CO 0.20 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1bve n GLY 78 N 4.83 3.44 1.70 4.51 0.00 -1.06 -0.83 105.19 117.78 1bve n GLY 78 Ca -0.14 -1.23 -0.07 0.00 0.00 0.00 0.00 46.02 44.57 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 1.38 -2.89 1.61 -0.04 -1.23 0.17 135.00 134.00 1bve n PRO 79 Ca 0.00 -0.60 -0.40 0.00 -0.04 0.00 0.00 63.50 62.46 1bve n PRO 79 Cb 0.00 -1.32 -0.06 0.00 -0.04 0.00 0.00 33.50 32.08 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 -0.50 4.25 -1.97 0.52 -1.32 -1.26 -4.91 115.64 110.44 1bve s THR 80 Ca 0.19 1.85 0.00 0.00 -1.21 0.00 0.00 61.69 62.52 1bve s THR 80 Cb 0.12 -4.21 0.00 0.00 -1.51 0.00 0.00 72.50 66.90 1bve s THR 80 CO -0.01 0.50 0.80 -0.81 -2.21 0.00 0.00 174.62 172.89 1bve n PRO 81 N 1.52 0.81 -3.76 7.08 -0.04 -1.26 -4.16 135.00 135.19 1bve n PRO 81 Ca -0.04 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.35 1bve n PRO 81 Cb 0.48 -1.01 -0.02 0.00 -0.04 0.00 0.00 33.50 32.91 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 -1.97 0.00 -0.00 0.52 0.11 -1.26 -5.01 120.40 112.79 1bve s VAL 82 Ca 0.00 -0.75 -0.01 0.00 -2.93 0.00 0.00 61.98 58.28 1bve s VAL 82 Cb 0.00 -1.80 -0.04 0.00 -1.53 0.00 0.00 36.38 33.01 1bve s VAL 82 CO 0.00 0.00 0.12 0.20 -3.33 0.00 0.00 175.10 172.09 1bve s ASN 83 N -2.88 5.94 -0.08 3.54 0.01 -1.26 -2.42 114.94 117.80 1bve s ASN 83 Ca 0.09 0.22 0.01 0.00 -0.71 0.00 0.00 52.86 52.47 1bve s ASN 83 Cb -0.04 -1.77 0.02 0.00 0.41 0.00 0.00 41.25 39.87 1bve s ASN 83 CO 0.03 0.27 -0.09 -0.63 -1.51 0.00 0.00 177.10 175.16 1bve s ILE 84 N -1.25 0.96 -0.75 0.60 -1.09 -0.49 -1.65 121.20 117.54 1bve s ILE 84 Ca 0.25 -0.33 -0.13 0.00 -2.23 0.00 0.00 60.65 58.21 1bve s ILE 84 Cb -0.12 -0.94 0.19 0.00 -1.58 0.00 0.00 42.46 40.01 1bve s ILE 84 CO 0.16 0.33 0.67 -0.63 -1.23 0.00 0.00 174.94 174.25 1bve s ILE 85 N 1.12 5.31 0.00 2.92 -1.09 -1.12 -0.66 121.20 127.67 1bve s ILE 85 Ca -0.06 -2.33 0.00 0.00 -2.23 0.00 0.00 60.65 56.03 1bve s ILE 85 Cb -0.14 -4.32 0.00 0.00 -1.58 0.00 0.00 42.46 36.42 1bve s ILE 85 CO -0.01 -0.98 0.00 0.61 -1.23 0.00 0.00 174.94 173.33 1bve n GLY 86 N 4.18 -0.69 0.37 6.18 0.00 0.15 -1.41 105.19 113.97 1bve n GLY 86 Ca 0.08 -1.67 -0.03 0.00 0.00 0.00 0.00 46.02 44.40 1bve n GLY 86 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1bve h ARG 87 N 0.00 1.30 -1.57 1.61 9.65 -1.34 -0.85 114.38 123.17 1bve h ARG 87 Ca 0.00 -0.12 0.46 0.00 -1.10 0.00 0.00 59.98 59.23 1bve h ARG 87 Cb 0.00 -0.27 -0.08 0.00 -1.39 0.00 0.00 29.97 28.23 1bve h ARG 87 CO 0.00 0.90 1.11 -2.95 2.80 0.00 0.00 179.97 181.83 1bve h ASN 88 N 1.32 0.05 0.00 -3.80 -1.07 -1.38 0.29 115.58 111.00 1bve h ASN 88 Ca 0.34 0.02 -0.16 0.00 0.07 0.00 0.00 56.30 56.58 1bve h ASN 88 Cb -0.06 0.02 -0.03 0.00 -2.07 0.00 0.00 38.32 36.17 1bve h ASN 88 CO -0.07 -0.02 -1.90 0.18 0.07 0.00 0.00 177.43 175.69 1bve n LEU 89 N -4.16 0.00 0.00 6.14 7.99 -0.76 -4.18 117.00 122.03 1bve n LEU 89 Ca 0.36 0.00 0.08 0.00 -0.01 0.00 0.00 56.01 56.44 1bve n LEU 89 Cb 1.62 0.22 0.43 0.00 -0.11 0.00 0.00 43.42 45.58 1bve n LEU 89 CO 0.39 0.22 0.74 0.18 -1.51 0.00 0.00 177.39 177.41 1bve n LEU 90 N -2.35 0.00 -0.01 2.23 4.77 0.82 -1.38 117.00 121.09 1bve n LEU 90 Ca -0.16 0.27 0.10 0.00 -0.03 0.00 0.00 56.01 56.20 1bve n LEU 90 Cb 0.76 -0.27 -0.14 0.00 -2.33 0.00 0.00 43.42 41.43 1bve n LEU 90 CO 0.32 -0.12 -0.42 0.35 -1.33 0.00 0.00 177.39 176.19 1bve n THR 91 N -1.27 0.00 0.05 -5.08 -2.24 -0.00 -1.18 114.28 104.56 1bve n THR 91 Ca 0.08 -0.26 -0.23 0.00 -2.27 0.00 0.00 64.05 61.38 1bve n THR 91 Cb 0.13 0.48 -0.15 0.00 -2.10 0.00 0.00 70.33 68.70 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 0.35 -0.00 -0.78 1.08 -1.39 -3.31 115.11 111.06 1bve h GLN 92 Ca 0.00 -0.60 0.00 0.00 -1.45 0.00 0.00 58.65 56.60 1bve h GLN 92 Cb 0.74 0.22 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 1bve h GLN 92 CO 0.00 1.29 -0.13 0.44 -0.95 0.00 0.00 178.83 179.48 1bve n ILE 93 N -3.65 0.00 -2.51 2.54 -5.35 -1.04 -4.93 119.36 104.42 1bve n ILE 93 Ca -0.26 -0.06 -0.06 0.00 -0.27 0.00 0.00 62.75 62.10 1bve n ILE 93 Cb 1.04 -0.06 0.03 0.00 -1.74 0.00 0.00 39.64 38.91 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 1.30 0.16 3.83 3.28 0.00 -1.23 -4.96 105.19 107.57 1bve n GLY 94 Ca 0.14 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.13 3.22 -0.03 4.61 0.00 -0.32 -5.03 121.76 121.08 1bve s ALA 95 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 51.96 52.15 1bve s ALA 95 Cb -0.00 -2.93 0.03 0.00 0.00 0.00 0.00 23.12 20.22 1bve s ALA 95 CO 0.26 0.25 0.05 0.95 0.00 0.00 0.00 175.76 177.27 1bve s THR 96 N -2.02 -0.08 -0.78 0.00 -4.23 -1.26 -4.87 115.64 102.39 1bve s THR 96 Ca 0.56 0.30 -0.23 0.00 -1.18 0.00 0.00 61.69 61.15 1bve s THR 96 Cb -0.10 -0.12 0.07 0.00 1.34 0.00 0.00 72.50 73.69 1bve s THR 96 CO 0.16 0.12 1.12 -0.76 -0.54 0.00 0.00 174.62 174.72 1bve s LEU 97 N 1.51 4.21 -0.22 4.79 1.02 -1.26 -5.00 118.68 123.74 1bve s LEU 97 Ca -0.04 -1.19 -0.10 0.00 0.02 0.00 0.00 54.13 52.83 1bve s LEU 97 Cb -0.13 -2.46 -0.05 0.00 0.02 0.00 0.00 46.19 43.58 1bve s LEU 97 CO -0.03 -1.44 0.13 0.20 0.02 0.00 0.00 176.35 175.23 1bve s ASN 98 N 3.85 5.98 0.00 2.29 0.02 -1.26 -5.32 114.94 120.50 1bve s ASN 98 Ca 0.30 0.11 0.00 0.00 -1.02 0.00 0.00 52.86 52.25 1bve s ASN 98 Cb -0.11 -2.06 0.00 0.00 0.02 0.00 0.00 41.25 39.10 1bve s ASN 98 CO 0.04 0.11 0.00 2.22 0.02 0.00 0.00 177.10 179.49