#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 4.43 -0.29 0.54 0.74 -1.26 -5.01 119.66 118.81 1bve s GLN 2 Ca 0.00 1.14 -0.01 0.00 0.05 0.00 0.00 55.36 56.55 1bve s GLN 2 Cb 0.00 -3.50 0.09 0.00 1.10 0.00 0.00 33.01 30.70 1bve s GLN 2 CO 0.00 -0.13 0.07 0.08 -0.55 0.00 0.00 175.29 174.76 1bve s VAL 3 N 1.40 0.98 0.61 1.34 1.01 -1.26 -4.95 120.40 119.54 1bve s VAL 3 Ca 0.43 -1.33 0.27 0.00 0.00 0.00 0.00 61.98 61.35 1bve s VAL 3 Cb -0.18 -1.66 0.35 0.00 0.00 0.00 0.00 36.38 34.88 1bve s VAL 3 CO 0.19 -0.55 1.70 0.71 0.00 0.00 0.00 175.10 177.15 1bve h THR 4 N 6.52 0.19 -2.31 3.92 1.35 -2.00 -3.44 112.91 117.14 1bve h THR 4 Ca -0.14 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.55 1bve h THR 4 Cb 1.03 0.43 0.03 0.00 -1.73 0.00 0.00 68.15 67.92 1bve h THR 4 CO 0.45 0.00 -0.27 0.18 -0.25 0.00 0.00 175.52 175.63 1bve n LEU 5 N -3.38 -2.08 0.33 3.87 7.99 -1.26 -4.86 117.00 117.61 1bve n LEU 5 Ca 0.10 -0.13 0.18 0.00 -0.01 0.00 0.00 56.01 56.14 1bve n LEU 5 Cb 0.86 -1.58 0.93 0.00 -0.11 0.00 0.00 43.42 43.51 1bve n LEU 5 CO 0.22 0.12 1.15 -0.50 -1.51 0.00 0.00 177.39 176.87 1bve h TRP 6 N -0.66 0.00 -0.02 -1.77 -0.00 -2.03 -3.42 115.95 108.05 1bve h TRP 6 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.66 1bve h TRP 6 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.32 1bve h TRP 6 CO 0.23 0.00 0.00 1.04 -0.00 0.00 0.00 178.44 179.71 1bve n GLN 7 N -2.99 0.24 -3.45 0.49 1.13 -1.26 -5.13 117.38 106.41 1bve n GLN 7 Ca -0.02 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.67 1bve n GLN 7 Cb 0.30 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.59 1bve n GLN 7 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1bve s ARG 8 N 4.25 3.95 -1.52 -1.09 0.52 -1.26 -4.97 118.95 118.83 1bve s ARG 8 Ca 0.00 0.44 -0.10 0.00 -0.52 0.00 0.00 55.73 55.56 1bve s ARG 8 Cb 0.00 -3.13 -0.10 0.00 0.52 0.00 0.00 34.95 32.24 1bve s ARG 8 CO 0.00 0.62 3.00 -0.35 0.02 0.00 0.00 175.30 178.59 1bve n PRO 9 N 1.45 3.62 -2.69 3.54 -0.04 -1.26 -4.94 135.00 134.67 1bve n PRO 9 Ca -0.11 -2.15 -0.42 0.00 -0.04 0.00 0.00 63.50 60.79 1bve n PRO 9 Cb 0.52 -2.75 -0.04 0.00 -0.04 0.00 0.00 33.50 31.19 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 0.12 4.44 0.05 1.53 1.43 -1.24 -2.42 118.68 122.59 1bve s LEU 10 Ca 0.70 1.76 0.03 0.00 -1.03 0.00 0.00 54.13 55.59 1bve s LEU 10 Cb 0.19 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 1bve s LEU 10 CO -0.06 -0.18 -0.09 0.68 0.23 0.00 0.00 176.35 176.93 1bve s VAL 11 N 0.49 0.69 -0.80 -1.59 -7.23 -0.08 -4.77 120.40 107.11 1bve s VAL 11 Ca 0.50 -1.17 -0.22 0.00 -1.81 0.00 0.00 61.98 59.28 1bve s VAL 11 Cb -0.23 -0.77 0.08 0.00 0.56 0.00 0.00 36.38 36.02 1bve s VAL 11 CO 0.29 -0.36 1.13 -0.89 -0.31 0.00 0.00 175.10 174.96 1bve s THR 12 N -1.43 4.28 0.54 5.32 2.01 -1.26 0.72 115.64 125.82 1bve s THR 12 Ca -0.07 -0.62 -0.16 0.00 0.31 0.00 0.00 61.69 61.15 1bve s THR 12 Cb -0.09 -4.80 -0.07 0.00 0.01 0.00 0.00 72.50 67.55 1bve s THR 12 CO 0.01 -1.61 1.00 0.27 -0.69 0.00 0.00 174.62 173.61 1bve s ILE 13 N 4.10 4.43 -0.52 1.82 -4.36 0.35 -4.52 121.20 122.50 1bve s ILE 13 Ca 0.30 1.11 0.04 0.00 -0.26 0.00 0.00 60.65 61.84 1bve s ILE 13 Cb -0.10 -3.68 0.13 0.00 1.25 0.00 0.00 42.46 40.06 1bve s ILE 13 CO 0.03 -0.73 0.26 -0.75 0.24 0.00 0.00 174.94 173.99 1bve s LYS 14 N -4.24 1.98 -0.14 0.37 2.36 -0.26 -2.52 119.74 117.29 1bve s LYS 14 Ca 0.59 -2.63 -0.02 0.00 -2.55 0.00 0.00 55.97 51.36 1bve s LYS 14 Cb -0.11 -3.31 -0.02 0.00 -1.05 0.00 0.00 37.83 33.33 1bve s LYS 14 CO 0.36 -1.11 -0.07 0.42 1.55 0.00 0.00 175.35 176.50 1bve s ILE 15 N -0.30 3.60 -1.33 5.43 1.01 -0.82 -1.72 121.20 127.07 1bve s ILE 15 Ca 0.17 -0.46 -0.06 0.00 0.00 0.00 0.00 60.65 60.30 1bve s ILE 15 Cb -0.26 -2.56 0.02 0.00 0.01 0.00 0.00 42.46 39.67 1bve s ILE 15 CO -0.00 0.51 1.01 0.61 0.00 0.00 0.00 174.94 177.06 1bve n GLY 16 N 3.49 -0.44 2.40 6.18 0.00 -1.26 -0.86 105.19 114.71 1bve n GLY 16 Ca -0.18 0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.61 0.90 3.58 -0.02 0.00 -1.26 -4.89 105.19 101.89 1bve n GLY 17 Ca -0.13 0.00 -0.25 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 -4.09 1.97 -0.06 1.61 -1.52 -0.04 -5.13 119.66 112.40 1bve s GLN 18 Ca 0.00 -1.76 0.01 0.00 -1.95 0.00 0.00 55.36 51.65 1bve s GLN 18 Cb 0.00 -1.87 0.02 0.00 -0.22 0.00 0.00 33.01 30.94 1bve s GLN 18 CO 0.00 0.19 -0.06 -0.51 -0.25 0.00 0.00 175.29 174.67 1bve s LEU 19 N -3.65 1.29 0.28 2.90 1.43 -1.26 -1.93 118.68 117.73 1bve s LEU 19 Ca 0.33 -0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 53.21 1bve s LEU 19 Cb -0.01 -0.56 -0.01 0.00 0.03 0.00 0.00 46.19 45.64 1bve s LEU 19 CO 0.18 -0.06 0.37 -0.54 0.23 0.00 0.00 176.35 176.53 1bve s LYS 20 N 1.06 1.61 1.01 1.70 -0.14 -1.05 -4.97 119.74 118.96 1bve s LYS 20 Ca -0.08 -1.59 -0.17 0.00 -1.36 0.00 0.00 55.97 52.77 1bve s LYS 20 Cb -0.14 0.40 0.23 0.00 -1.68 0.00 0.00 37.83 36.64 1bve s LYS 20 CO -0.01 -0.63 1.34 -1.21 -0.76 0.00 0.00 175.35 174.08 1bve s GLU 21 N -3.67 0.24 -0.29 1.68 0.41 -1.26 -0.50 118.70 115.31 1bve s GLU 21 Ca 0.31 -0.49 -0.05 0.00 -0.41 0.00 0.00 54.97 54.33 1bve s GLU 21 Cb 0.02 -1.81 0.16 0.00 -1.78 0.00 0.00 34.13 30.72 1bve s GLU 21 CO 0.15 -2.67 0.60 0.00 -0.49 0.00 0.00 175.26 172.85 1bve s ALA 22 N -3.89 -2.09 -0.75 5.21 0.00 0.22 -4.44 121.76 116.02 1bve s ALA 22 Ca 0.76 1.98 -0.22 0.00 0.00 0.00 0.00 51.96 54.49 1bve s ALA 22 Cb -0.03 -1.97 0.08 0.00 0.00 0.00 0.00 23.12 21.20 1bve s ALA 22 CO 0.54 -1.16 1.04 -1.17 0.00 0.00 0.00 175.76 175.01 1bve s LEU 23 N 2.85 4.48 -0.76 0.00 2.96 -0.49 -0.91 118.68 126.82 1bve s LEU 23 Ca 0.10 -1.29 -0.34 0.00 -0.22 0.00 0.00 54.13 52.38 1bve s LEU 23 Cb -0.14 -2.43 -0.18 0.00 0.50 0.00 0.00 46.19 43.94 1bve s LEU 23 CO -0.20 -1.36 2.49 0.18 -1.32 0.00 0.00 176.35 176.15 1bve n LEU 24 N 7.51 0.84 -4.21 -0.68 4.77 -1.02 -3.05 117.00 121.16 1bve n LEU 24 Ca 0.06 0.22 -0.41 0.00 -0.03 0.00 0.00 56.01 55.85 1bve n LEU 24 Cb 0.47 -1.04 -0.05 0.00 -2.33 0.00 0.00 43.42 40.47 1bve n LEU 24 CO 0.61 -0.84 0.36 -0.62 -1.33 0.00 0.00 177.39 175.56 1bve s ASP 25 N 8.59 6.23 0.24 -1.43 -1.08 0.31 -4.84 116.67 124.69 1bve s ASP 25 Ca 1.25 -3.14 0.22 0.00 -0.52 0.00 0.00 52.55 50.36 1bve s ASP 25 Cb -1.13 -2.04 0.96 0.00 -1.46 0.00 0.00 42.92 39.25 1bve s ASP 25 CO 0.50 -0.37 1.67 0.41 0.52 0.00 0.00 175.17 177.90 1bve n THR 26 N 3.22 0.89 0.19 1.71 -1.04 -1.26 -1.79 114.28 116.20 1bve n THR 26 Ca 0.16 0.30 0.08 0.00 -2.04 0.00 0.00 64.05 62.55 1bve n THR 26 Cb 0.41 -1.23 0.17 0.00 -1.82 0.00 0.00 70.33 67.86 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 1.95 0.00 -1.62 3.41 0.00 -1.90 -3.43 103.07 101.49 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 0.16 0.00 0.00 0.00 0.00 176.54 176.70 1bve s ALA 28 N -3.18 3.33 -0.14 3.60 0.00 -0.74 -5.01 121.76 119.62 1bve s ALA 28 Ca 0.05 -0.72 0.21 0.00 0.00 0.00 0.00 51.96 51.50 1bve s ALA 28 Cb 0.07 -2.57 -0.15 0.00 0.00 0.00 0.00 23.12 20.46 1bve s ALA 28 CO 0.69 -0.78 0.77 -0.25 0.00 0.00 0.00 175.76 176.19 1bve n ASP 29 N -2.55 0.50 -0.66 0.00 9.92 -1.26 -2.82 116.55 119.67 1bve n ASP 29 Ca 0.04 0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.50 1bve n ASP 29 Cb 0.58 1.02 0.00 0.00 -0.64 0.00 0.00 41.12 42.07 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 -2.55 0.00 -4.27 -2.24 8.00 -1.26 -2.81 116.55 111.42 1bve n ASP 30 Ca -0.04 -0.66 -0.44 0.00 0.71 0.00 0.00 54.79 54.36 1bve n ASP 30 Cb 0.62 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.68 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 -1.76 5.15 1.05 -3.53 2.01 -1.11 0.75 115.64 118.21 1bve s THR 31 Ca 0.00 -2.67 -0.16 0.00 0.31 0.00 0.00 61.69 59.17 1bve s THR 31 Cb 0.00 -4.21 0.22 0.00 0.01 0.00 0.00 72.50 68.53 1bve s THR 31 CO 0.00 -1.00 1.17 0.54 -0.69 0.00 0.00 174.62 174.64 1bve s VAL 32 N 0.00 1.83 -0.30 3.82 0.11 0.12 -0.73 120.40 125.27 1bve s VAL 32 Ca 0.18 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.08 1bve s VAL 32 Cb -0.12 -2.69 0.17 0.00 -1.53 0.00 0.00 36.38 32.20 1bve s VAL 32 CO -0.08 0.00 1.06 -0.76 -3.33 0.00 0.00 175.10 171.99 1bve s LEU 33 N -6.40 -0.45 0.76 2.54 1.02 0.12 -1.36 118.68 114.90 1bve s LEU 33 Ca 0.70 0.63 -0.17 0.00 0.02 0.00 0.00 54.13 55.31 1bve s LEU 33 Cb -0.10 1.53 -0.15 0.00 0.02 0.00 0.00 46.19 47.50 1bve s LEU 33 CO 0.55 -0.09 -0.49 -1.84 0.02 0.00 0.00 176.35 174.49 1bve n GLU 34 N 4.65 0.00 -1.35 1.70 0.00 -1.12 -2.73 120.64 121.80 1bve n GLU 34 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.68 1bve n GLU 34 Cb 0.54 -0.97 0.03 0.00 0.00 0.00 0.00 31.44 31.04 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 2.00 0.31 -3.79 3.44 2.13 0.14 -4.50 120.64 120.36 1bve n GLU 35 Ca 0.02 0.12 -0.00 0.00 0.66 0.00 0.00 57.16 57.97 1bve n GLU 35 Cb 0.50 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.73 1bve n GLU 35 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bve s MET 36 N -1.87 0.74 -1.11 5.31 0.23 -1.26 -4.98 119.30 116.35 1bve s MET 36 Ca 0.64 -0.45 -0.16 0.00 -1.03 0.00 0.00 55.69 54.70 1bve s MET 36 Cb -0.43 0.23 0.16 0.00 -1.53 0.00 0.00 34.83 33.25 1bve s MET 36 CO 0.59 -0.34 1.33 0.45 -2.03 0.00 0.00 175.02 175.02 1bve s SER 37 N -3.27 6.91 -0.38 -1.18 0.15 -1.26 -4.95 113.70 109.72 1bve s SER 37 Ca 0.19 -2.65 -0.06 0.00 0.70 0.00 0.00 55.95 54.13 1bve s SER 37 Cb 0.01 -2.40 0.07 0.00 -1.71 0.00 0.00 66.02 61.99 1bve s SER 37 CO 0.00 -0.86 0.18 -0.22 1.20 0.00 0.00 173.24 173.54 1bve s LEU 38 N 2.00 4.83 0.38 3.45 2.96 -1.26 -4.95 118.68 126.10 1bve s LEU 38 Ca 0.39 -1.51 -0.24 0.00 -0.22 0.00 0.00 54.13 52.55 1bve s LEU 38 Cb -0.03 -1.89 -0.10 0.00 0.50 0.00 0.00 46.19 44.67 1bve s LEU 38 CO -0.03 -0.46 0.98 -2.16 -1.32 0.00 0.00 176.35 173.36 1bve s PRO 39 N 1.33 4.34 0.00 0.98 0.04 -1.26 -4.95 135.00 135.48 1bve s PRO 39 Ca 0.02 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1bve s PRO 39 Cb -0.22 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1bve s PRO 39 CO 0.00 0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.50 1bve n GLY 40 N 0.13 0.91 3.64 0.56 0.00 -1.26 -4.99 105.19 104.17 1bve n GLY 40 Ca 0.04 -1.87 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.00 4.00 0.15 1.61 3.00 -1.26 -5.08 118.95 119.37 1bve s ARG 41 Ca 0.00 -0.32 0.03 0.00 0.00 0.00 0.00 55.73 55.43 1bve s ARG 41 Cb 0.00 -3.32 -0.01 0.00 0.00 0.00 0.00 34.95 31.62 1bve s ARG 41 CO 0.00 0.19 0.09 -2.67 0.00 0.00 0.00 175.30 172.91 1bve n TRP 42 N 3.83 -0.16 -3.72 -0.53 4.27 -1.26 -4.35 117.44 115.51 1bve n TRP 42 Ca -0.16 -1.13 -0.12 0.00 -3.89 0.00 0.00 57.50 52.20 1bve n TRP 42 Cb 0.52 0.07 -0.13 0.00 -1.36 0.00 0.00 31.31 30.41 1bve n TRP 42 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 1bve s LYS 43 N -2.60 0.23 0.20 -2.67 3.01 -0.90 -4.93 119.74 112.08 1bve s LYS 43 Ca 0.13 0.57 -0.30 0.00 -1.01 0.00 0.00 55.97 55.37 1bve s LYS 43 Cb 0.01 -0.11 -0.08 0.00 -1.01 0.00 0.00 37.83 36.64 1bve s LYS 43 CO 0.09 -0.17 1.11 -1.25 0.51 0.00 0.00 175.35 175.65 1bve s PRO 44 N 1.32 4.59 0.00 -1.68 0.04 -1.26 0.33 135.00 138.33 1bve s PRO 44 Ca -0.09 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1bve s PRO 44 Cb -0.10 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1bve s PRO 44 CO -0.09 0.08 0.00 0.36 0.04 0.00 0.00 177.00 177.39 1bve n LYS 45 N 2.16 0.00 -3.70 4.56 2.85 -1.03 -4.90 118.16 118.11 1bve n LYS 45 Ca 0.02 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.16 1bve n LYS 45 Cb 0.46 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.71 1bve n LYS 45 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1bve s MET 46 N -0.62 0.21 -0.13 -1.58 1.75 -1.26 -1.53 119.30 116.14 1bve s MET 46 Ca 0.00 0.67 -0.10 0.00 -1.25 0.00 0.00 55.69 55.01 1bve s MET 46 Cb 0.00 -0.05 -0.05 0.00 2.84 0.00 0.00 34.83 37.57 1bve s MET 46 CO 0.00 -0.21 0.21 0.96 -0.65 0.00 0.00 175.02 175.33 1bve s ILE 47 N 1.76 5.38 -0.25 10.11 -4.36 -0.37 -4.87 121.20 128.60 1bve s ILE 47 Ca -0.05 0.36 0.01 0.00 -0.26 0.00 0.00 60.65 60.71 1bve s ILE 47 Cb -0.11 -3.51 0.05 0.00 1.25 0.00 0.00 42.46 40.14 1bve s ILE 47 CO -0.09 0.53 -0.10 -0.83 0.24 0.00 0.00 174.94 174.69 1bve s GLY 48 N -0.45 1.63 0.00 6.27 0.00 -1.26 -1.45 107.32 112.06 1bve s GLY 48 Ca 0.15 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.24 1bve s GLY 48 CO 0.04 0.56 0.00 0.61 0.00 0.00 0.00 173.10 174.31 1bve n GLY 49 N 4.53 2.35 3.76 0.20 0.00 -1.14 -5.00 105.19 109.90 1bve n GLY 49 Ca -0.15 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 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 2.15 5.35 0.00 -0.61 1.01 -1.26 -4.42 121.20 123.42 1bve s ILE 50 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.05 1bve s ILE 50 Cb 0.00 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.92 1bve s ILE 50 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.01 1bve n GLY 51 N 3.07 2.66 0.00 6.18 0.00 -1.26 -4.92 105.19 110.92 1bve n GLY 51 Ca -0.15 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.56 3.72 -0.02 0.00 -1.26 -5.15 105.19 101.92 1bve n GLY 52 Ca 0.00 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.13 3.05 -0.00 1.61 0.40 -1.26 -2.87 117.98 115.77 1bve s PHE 53 Ca 0.00 -0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.33 1bve s PHE 53 Cb 0.00 -1.53 -0.01 0.00 0.51 0.00 0.00 43.02 41.99 1bve s PHE 53 CO 0.00 0.50 -0.05 0.96 0.70 0.00 0.00 175.22 177.33 1bve s ILE 54 N -1.45 0.40 0.16 0.64 -4.36 -0.53 -4.96 121.20 111.10 1bve s ILE 54 Ca 0.28 -0.26 -0.29 0.00 -0.26 0.00 0.00 60.65 60.11 1bve s ILE 54 Cb -0.11 -0.35 -0.07 0.00 1.25 0.00 0.00 42.46 43.18 1bve s ILE 54 CO 0.20 0.08 0.92 -0.54 0.24 0.00 0.00 174.94 175.84 1bve s LYS 55 N -0.20 4.73 0.30 0.37 1.02 -1.26 -1.24 119.74 123.46 1bve s LYS 55 Ca 0.01 1.41 0.02 0.00 0.02 0.00 0.00 55.97 57.44 1bve s LYS 55 Cb -0.02 -3.33 -0.01 0.00 -0.52 0.00 0.00 37.83 33.95 1bve s LYS 55 CO -0.00 0.37 0.08 1.33 -0.92 0.00 0.00 175.35 176.21 1bve n VAL 56 N 2.19 0.00 -3.78 3.17 0.24 -0.58 -3.32 118.33 116.24 1bve n VAL 56 Ca -0.00 -1.68 -0.29 0.00 -2.04 0.00 0.00 64.34 60.33 1bve n VAL 56 Cb 0.48 0.55 -0.12 0.00 -1.47 0.00 0.00 33.84 33.28 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 -3.13 1.78 -0.91 7.34 1.81 0.46 -2.45 118.95 123.84 1bve s ARG 57 Ca 0.12 -2.61 -0.13 0.00 -1.72 0.00 0.00 55.73 51.39 1bve s ARG 57 Cb 0.01 -2.79 -0.28 0.00 -0.45 0.00 0.00 34.95 31.44 1bve s ARG 57 CO 0.08 -1.22 2.18 0.94 -0.68 0.00 0.00 175.30 176.60 1bve n GLN 58 N 2.83 0.14 -2.98 3.54 7.27 0.15 -3.10 117.38 125.23 1bve n GLN 58 Ca 0.14 -0.24 -0.44 0.00 0.07 0.00 0.00 57.00 56.53 1bve n GLN 58 Cb 0.36 -1.72 -0.01 0.00 2.41 0.00 0.00 30.24 31.28 1bve n GLN 58 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1bve s TYR 59 N 4.01 3.48 0.20 3.69 2.02 -0.90 -2.12 117.35 127.73 1bve s TYR 59 Ca 1.17 -2.01 -0.30 0.00 -0.37 0.00 0.00 57.07 55.56 1bve s TYR 59 Cb -0.63 -4.26 -0.08 0.00 -0.40 0.00 0.00 41.96 36.59 1bve s TYR 59 CO 0.42 -1.38 1.02 -0.51 -1.57 0.00 0.00 175.55 173.54 1bve s ASP 60 N 2.88 7.43 -0.12 2.29 1.01 -1.26 -0.95 116.67 127.94 1bve s ASP 60 Ca 0.39 2.01 -0.01 0.00 0.71 0.00 0.00 52.55 55.66 1bve s ASP 60 Cb -0.04 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.28 1bve s ASP 60 CO -0.03 -0.07 0.11 1.67 0.21 0.00 0.00 175.17 177.06 1bve n GLN 61 N 2.03 -0.27 -4.20 8.23 -0.06 0.52 -4.93 117.38 118.69 1bve n GLN 61 Ca 0.01 0.10 -0.23 0.00 -2.00 0.00 0.00 57.00 54.88 1bve n GLN 61 Cb 0.47 -2.02 -0.17 0.00 -4.06 0.00 0.00 30.24 24.46 1bve n GLN 61 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1bve s ILE 62 N -3.05 0.83 -0.86 1.69 -1.09 -0.43 -4.84 121.20 113.45 1bve s ILE 62 Ca 0.05 -0.25 -0.25 0.00 -2.23 0.00 0.00 60.65 57.98 1bve s ILE 62 Cb -0.01 -0.83 0.00 0.00 -1.58 0.00 0.00 42.46 40.05 1bve s ILE 62 CO 0.09 0.30 1.67 -0.22 -1.23 0.00 0.00 174.94 175.55 1bve s LEU 63 N 1.13 3.29 -0.34 2.97 0.20 -1.26 -1.40 118.68 123.28 1bve s LEU 63 Ca -0.07 -0.71 -0.23 0.00 0.69 0.00 0.00 54.13 53.81 1bve s LEU 63 Cb -0.14 -2.56 0.00 0.00 -0.43 0.00 0.00 46.19 43.06 1bve s LEU 63 CO -0.01 -2.14 0.77 -0.51 -0.29 0.00 0.00 176.35 174.17 1bve s ILE 64 N 7.58 4.77 -0.31 6.68 2.07 0.29 -4.32 121.20 137.97 1bve s ILE 64 Ca 0.56 1.00 -0.22 0.00 -1.41 0.00 0.00 60.65 60.58 1bve s ILE 64 Cb -0.06 -4.17 -0.00 0.00 0.13 0.00 0.00 42.46 38.36 1bve s ILE 64 CO 0.02 -0.34 0.73 -0.70 -1.91 0.00 0.00 174.94 172.75 1bve s GLU 65 N 3.00 3.92 -0.18 3.50 2.12 -0.70 -2.74 118.70 127.63 1bve s GLU 65 Ca 0.31 0.46 -0.03 0.00 0.36 0.00 0.00 54.97 56.08 1bve s GLU 65 Cb -0.14 -3.74 -0.02 0.00 0.26 0.00 0.00 34.13 30.50 1bve s GLU 65 CO 0.15 -0.66 -0.07 0.42 -0.54 0.00 0.00 175.26 174.56 1bve s ILE 66 N 2.85 3.40 0.00 -3.70 1.09 -1.17 -1.10 121.20 122.56 1bve s ILE 66 Ca 0.30 -0.51 0.00 0.00 -1.10 0.00 0.00 60.65 59.33 1bve s ILE 66 Cb -0.14 -2.49 0.00 0.00 -1.06 0.00 0.00 42.46 38.76 1bve s ILE 66 CO 0.13 0.47 0.00 0.00 -0.10 0.00 0.00 174.94 175.44 1bve n GLY 68 N 0.00 1.52 2.75 0.00 0.00 -1.26 -5.04 105.19 103.16 1bve n GLY 68 Ca 0.00 -1.25 -0.18 0.00 0.00 0.00 0.00 46.02 44.59 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 -3.07 -0.28 -0.01 1.61 4.02 -0.32 -5.10 115.29 112.14 1bve s HIS 69 Ca 0.27 0.21 -0.30 0.00 1.02 0.00 0.00 55.06 56.26 1bve s HIS 69 Cb 0.45 -0.37 -0.07 0.00 -1.02 0.00 0.00 32.58 31.57 1bve s HIS 69 CO 0.03 -0.61 1.80 0.15 1.02 0.00 0.00 174.74 177.13 1bve s LYS 70 N 2.33 4.16 -0.05 1.40 1.02 -1.26 -3.05 119.74 124.28 1bve s LYS 70 Ca 0.07 2.39 0.01 0.00 0.02 0.00 0.00 55.97 58.47 1bve s LYS 70 Cb -0.16 -4.07 0.02 0.00 -0.52 0.00 0.00 37.83 33.11 1bve s LYS 70 CO -0.13 -0.90 -0.07 0.00 -0.92 0.00 0.00 175.35 173.34 1bve s ALA 71 N 4.22 0.86 -0.10 5.17 0.00 -1.11 -4.98 121.76 125.82 1bve s ALA 71 Ca 0.81 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 52.56 1bve s ALA 71 Cb -0.38 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 1bve s ALA 71 CO 0.35 -0.01 0.03 0.42 0.00 0.00 0.00 175.76 176.55 1bve s ILE 72 N 0.91 4.52 0.00 0.00 -1.09 -1.26 0.11 121.20 124.39 1bve s ILE 72 Ca -0.11 -0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.15 1bve s ILE 72 Cb -0.15 -2.92 0.00 0.00 -1.58 0.00 0.00 42.46 37.81 1bve s ILE 72 CO 0.01 0.59 0.00 0.61 -1.23 0.00 0.00 174.94 174.92 1bve n GLY 73 N 2.26 2.89 3.25 6.18 0.00 -0.49 -4.80 105.19 114.49 1bve n GLY 73 Ca -0.19 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.38 4.12 -0.63 2.61 2.01 -1.26 -0.36 115.64 119.76 1bve s THR 74 Ca 0.00 -1.46 -0.21 0.00 0.31 0.00 0.00 61.69 60.33 1bve s THR 74 Cb 0.00 -3.54 0.09 0.00 0.01 0.00 0.00 72.50 69.05 1bve s THR 74 CO 0.00 -0.52 0.84 -0.69 -0.69 0.00 0.00 174.62 173.56 1bve s VAL 75 N 1.40 4.56 -0.55 3.82 1.01 -0.13 -2.73 120.40 127.78 1bve s VAL 75 Ca 0.03 -0.67 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 1bve s VAL 75 Cb -0.23 -4.59 0.02 0.00 0.00 0.00 0.00 36.38 31.58 1bve s VAL 75 CO 0.01 -1.30 1.29 -0.76 0.00 0.00 0.00 175.10 174.34 1bve s LEU 76 N 3.40 3.45 -0.23 3.92 1.02 0.10 -2.11 118.68 128.23 1bve s LEU 76 Ca 0.17 0.26 -0.15 0.00 0.02 0.00 0.00 54.13 54.44 1bve s LEU 76 Cb -0.20 -3.18 -0.04 0.00 0.02 0.00 0.00 46.19 42.78 1bve s LEU 76 CO 0.08 -1.55 0.35 -0.69 0.02 0.00 0.00 176.35 174.56 1bve s VAL 77 N 5.38 5.22 0.00 -1.59 1.01 -1.18 0.10 120.40 129.35 1bve s VAL 77 Ca 0.48 0.57 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1bve s VAL 77 Cb -0.09 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1bve s VAL 77 CO 0.26 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1bve n GLY 78 N 4.18 3.10 1.49 4.51 0.00 -1.10 0.17 105.19 117.54 1bve n GLY 78 Ca -0.10 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 0.99 -3.04 1.61 -0.04 -1.21 0.25 135.00 133.56 1bve n PRO 79 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 1bve n PRO 79 Cb 0.00 -1.01 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 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 0.02 4.71 -1.12 0.52 -1.32 -1.26 -4.94 115.64 112.26 1bve s THR 80 Ca 0.00 1.55 0.00 0.00 -1.21 0.00 0.00 61.69 62.03 1bve s THR 80 Cb 0.00 -4.07 0.00 0.00 -1.51 0.00 0.00 72.50 66.92 1bve s THR 80 CO 0.00 0.41 0.51 -0.81 -2.21 0.00 0.00 174.62 172.52 1bve n PRO 81 N 2.54 0.91 -3.56 7.08 -0.04 -1.26 -3.75 135.00 136.92 1bve n PRO 81 Ca -0.04 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.32 1bve n PRO 81 Cb 0.50 -1.40 -0.02 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.12 0.00 0.03 0.52 0.11 -1.26 -5.01 120.40 113.68 1bve s VAL 82 Ca 0.00 -0.27 -0.17 0.00 -2.93 0.00 0.00 61.98 58.61 1bve s VAL 82 Cb 0.00 -1.30 -0.06 0.00 -1.53 0.00 0.00 36.38 33.49 1bve s VAL 82 CO 0.00 0.00 0.48 0.20 -3.33 0.00 0.00 175.10 172.45 1bve s ASN 83 N -2.75 6.93 -0.10 3.54 0.01 -1.26 -2.77 114.94 118.52 1bve s ASN 83 Ca 0.05 1.10 0.00 0.00 -0.71 0.00 0.00 52.86 53.30 1bve s ASN 83 Cb -0.02 -2.30 0.02 0.00 0.41 0.00 0.00 41.25 39.36 1bve s ASN 83 CO -0.07 0.30 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.10 1bve s ILE 84 N -1.10 1.13 -0.60 0.60 -1.09 -0.46 -1.40 121.20 118.28 1bve s ILE 84 Ca 0.26 -0.39 -0.13 0.00 -2.23 0.00 0.00 60.65 58.17 1bve s ILE 84 Cb -0.18 -1.10 0.15 0.00 -1.58 0.00 0.00 42.46 39.75 1bve s ILE 84 CO 0.16 0.38 0.52 -0.63 -1.23 0.00 0.00 174.94 174.14 1bve s ILE 85 N 1.39 4.91 0.00 2.92 -1.09 -1.17 -0.70 121.20 127.46 1bve s ILE 85 Ca -0.00 -1.95 0.00 0.00 -2.23 0.00 0.00 60.65 56.47 1bve s ILE 85 Cb -0.13 -4.14 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 1bve s ILE 85 CO -0.05 -0.89 0.00 0.61 -1.23 0.00 0.00 174.94 173.38 1bve n GLY 86 N 4.69 -0.26 0.18 6.18 0.00 0.23 -0.53 105.19 115.68 1bve n GLY 86 Ca -0.03 -1.56 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 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 0.43 0.00 1.61 3.08 -1.55 -1.68 114.38 116.27 1bve h ARG 87 Ca 0.00 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1bve h ARG 87 Cb 0.00 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1bve h ARG 87 CO 0.00 0.95 0.27 -0.97 -1.07 0.00 0.00 179.97 179.16 1bve h ASN 88 N 0.30 0.00 0.00 7.04 -1.24 -1.81 0.12 115.58 119.99 1bve h ASN 88 Ca -0.02 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.95 1bve h ASN 88 Cb 1.24 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.28 1bve h ASN 88 CO 0.12 0.00 -1.52 0.18 -1.29 0.00 0.00 177.43 174.91 1bve n LEU 89 N -2.74 0.00 0.18 0.34 7.99 -1.08 -4.33 117.00 117.36 1bve n LEU 89 Ca -0.02 0.00 0.14 0.00 -0.01 0.00 0.00 56.01 56.12 1bve n LEU 89 Cb 0.32 0.05 0.45 0.00 -0.11 0.00 0.00 43.42 44.13 1bve n LEU 89 CO 0.13 0.05 0.89 -0.07 -1.51 0.00 0.00 177.39 176.88 1bve h LEU 90 N 0.00 0.00 0.00 2.23 3.38 0.12 -2.23 115.31 118.81 1bve h LEU 90 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1bve h LEU 90 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1bve h LEU 90 CO 0.00 0.00 -0.51 0.35 0.09 0.00 0.00 178.44 178.38 1bve n THR 91 N -2.65 0.02 -0.07 0.22 -2.24 -0.27 -1.28 114.28 108.01 1bve n THR 91 Ca 0.03 -0.02 -0.21 0.00 -2.27 0.00 0.00 64.05 61.59 1bve n THR 91 Cb 0.36 0.22 -0.13 0.00 -2.10 0.00 0.00 70.33 68.69 1bve n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bve n GLN 92 N -1.53 0.69 0.00 -0.78 6.02 -0.88 -4.07 117.38 116.83 1bve n GLN 92 Ca 0.05 0.25 0.14 0.00 -0.01 0.00 0.00 57.00 57.44 1bve n GLN 92 Cb 0.34 -1.63 0.65 0.00 1.02 0.00 0.00 30.24 30.63 1bve n GLN 92 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1bve n ILE 93 N -3.55 0.00 -3.09 5.09 -5.35 -0.94 -4.92 119.36 106.60 1bve n ILE 93 Ca -0.39 -0.07 -0.13 0.00 -0.27 0.00 0.00 62.75 61.89 1bve n ILE 93 Cb 0.98 -0.12 0.05 0.00 -1.74 0.00 0.00 39.64 38.82 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 1.24 0.00 3.75 3.28 0.00 -1.10 -4.91 105.19 107.45 1bve n GLY 94 Ca 0.16 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.20 2.40 -0.09 4.61 0.00 -0.40 -5.03 121.76 120.04 1bve s ALA 95 Ca 0.25 0.78 -0.04 0.00 0.00 0.00 0.00 51.96 52.95 1bve s ALA 95 Cb -0.11 -3.40 0.04 0.00 0.00 0.00 0.00 23.12 19.66 1bve s ALA 95 CO 0.45 -1.37 0.20 0.95 0.00 0.00 0.00 175.76 175.99 1bve s THR 96 N -2.00 -0.09 -0.70 0.00 -4.23 -1.26 -4.93 115.64 102.42 1bve s THR 96 Ca 0.72 0.19 -0.19 0.00 -1.18 0.00 0.00 61.69 61.23 1bve s THR 96 Cb -0.26 -0.32 0.12 0.00 1.34 0.00 0.00 72.50 73.38 1bve s THR 96 CO 0.39 0.08 0.84 -0.76 -0.54 0.00 0.00 174.62 174.63 1bve s LEU 97 N 1.41 5.32 -0.26 4.79 1.02 -1.26 -5.02 118.68 124.68 1bve s LEU 97 Ca -0.07 -1.64 -0.10 0.00 0.02 0.00 0.00 54.13 52.34 1bve s LEU 97 Cb -0.11 -2.33 -0.05 0.00 0.02 0.00 0.00 46.19 43.72 1bve s LEU 97 CO -0.07 -1.10 0.16 0.20 0.02 0.00 0.00 176.35 175.56 1bve s ASN 98 N 3.47 5.88 0.00 2.29 0.02 -1.26 -5.30 114.94 120.05 1bve s ASN 98 Ca 0.18 -0.02 0.00 0.00 -1.02 0.00 0.00 52.86 52.01 1bve s ASN 98 Cb -0.17 -2.08 0.00 0.00 0.02 0.00 0.00 41.25 39.02 1bve s ASN 98 CO 0.02 -0.02 0.10 2.22 0.02 0.00 0.00 177.10 179.44