#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 4.12 -0.20 0.54 0.74 -1.26 -5.05 119.66 118.55 1bve s GLN 2 Ca 0.00 0.89 -0.05 0.00 0.05 0.00 0.00 55.36 56.25 1bve s GLN 2 Cb 0.00 -2.35 0.10 0.00 1.10 0.00 0.00 33.01 31.86 1bve s GLN 2 CO 0.00 0.09 0.37 0.08 -0.55 0.00 0.00 175.29 175.27 1bve s VAL 3 N -2.04 -0.57 0.00 1.34 1.01 -1.26 -5.05 120.40 113.83 1bve s VAL 3 Ca 0.57 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1bve s VAL 3 Cb -0.10 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1bve s VAL 3 CO 0.16 0.01 0.00 0.35 0.00 0.00 0.00 175.10 175.62 1bve n THR 4 N 5.37 0.00 -2.82 3.92 -2.24 -1.26 -4.96 114.28 112.29 1bve n THR 4 Ca -0.06 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.53 1bve n THR 4 Cb 0.50 -0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 1bve n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bve n LEU 5 N -2.02 -0.36 -2.31 3.22 -0.00 -1.26 -2.29 117.00 111.98 1bve n LEU 5 Ca 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 56.01 55.52 1bve n LEU 5 Cb 0.00 -0.78 0.00 0.00 -0.00 0.00 0.00 43.42 42.64 1bve n LEU 5 CO 0.00 0.04 0.00 0.79 -0.00 0.00 0.00 177.39 178.22 1bve n TRP 6 N -2.17 0.00 -3.29 1.47 7.02 -1.26 -4.73 117.44 114.48 1bve n TRP 6 Ca 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.53 1bve n TRP 6 Cb 0.24 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.13 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 -0.91 0.00 -3.00 -0.99 3.00 -0.97 -5.14 117.38 109.36 1bve n GLN 7 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 1bve n GLN 7 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.19 1bve n GLN 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1bve s ARG 8 N -1.34 4.50 -1.26 -1.09 0.52 -1.26 -4.95 118.95 114.06 1bve s ARG 8 Ca 0.00 1.07 -0.17 0.00 -0.52 0.00 0.00 55.73 56.11 1bve s ARG 8 Cb 0.00 -3.32 -0.01 0.00 0.52 0.00 0.00 34.95 32.14 1bve s ARG 8 CO 0.00 0.41 2.07 -0.35 0.02 0.00 0.00 175.30 177.45 1bve n PRO 9 N 2.32 2.52 -2.68 3.54 -0.04 -1.26 -4.95 135.00 134.44 1bve n PRO 9 Ca -0.04 -2.52 -0.33 0.00 -0.04 0.00 0.00 63.50 60.57 1bve n PRO 9 Cb 0.50 -3.26 -0.06 0.00 -0.04 0.00 0.00 33.50 30.64 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 2.73 3.85 0.06 1.53 1.43 -1.26 -2.77 118.68 124.25 1bve s LEU 10 Ca 0.52 1.68 -0.14 0.00 -1.03 0.00 0.00 54.13 55.16 1bve s LEU 10 Cb 0.12 -4.53 0.02 0.00 0.03 0.00 0.00 46.19 41.83 1bve s LEU 10 CO -0.01 -0.46 0.32 0.68 0.23 0.00 0.00 176.35 177.12 1bve s VAL 11 N -2.28 0.08 -0.39 -1.59 -7.23 -0.97 -4.93 120.40 103.11 1bve s VAL 11 Ca 0.62 -0.70 -0.24 0.00 -1.81 0.00 0.00 61.98 59.85 1bve s VAL 11 Cb -0.10 -1.04 0.01 0.00 0.56 0.00 0.00 36.38 35.82 1bve s VAL 11 CO 0.18 -0.39 0.81 -0.89 -0.31 0.00 0.00 175.10 174.51 1bve s THR 12 N -2.94 4.68 0.03 5.32 2.01 -1.26 -0.91 115.64 122.57 1bve s THR 12 Ca -0.02 0.84 -0.02 0.00 0.31 0.00 0.00 61.69 62.80 1bve s THR 12 Cb 0.00 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 1bve s THR 12 CO -0.06 -0.52 0.21 0.27 -0.69 0.00 0.00 174.62 173.83 1bve s ILE 13 N 3.23 5.40 -0.57 1.82 -4.36 -0.71 -4.28 121.20 121.73 1bve s ILE 13 Ca 0.32 -0.23 -0.06 0.00 -0.26 0.00 0.00 60.65 60.42 1bve s ILE 13 Cb -0.13 -3.58 0.15 0.00 1.25 0.00 0.00 42.46 40.15 1bve s ILE 13 CO 0.19 0.24 0.41 -0.75 0.24 0.00 0.00 174.94 175.27 1bve s LYS 14 N -2.20 2.58 -0.10 0.37 2.47 -0.66 -2.96 119.74 119.23 1bve s LYS 14 Ca 0.31 -2.17 0.04 0.00 -1.56 0.00 0.00 55.97 52.58 1bve s LYS 14 Cb -0.13 -3.86 -0.00 0.00 -1.46 0.00 0.00 37.83 32.38 1bve s LYS 14 CO 0.23 -1.18 -0.23 0.42 0.16 0.00 0.00 175.35 174.75 1bve s ILE 15 N 0.59 2.16 -1.20 5.43 1.01 -0.98 -1.69 121.20 126.53 1bve s ILE 15 Ca 0.12 -0.98 -0.06 0.00 0.00 0.00 0.00 60.65 59.73 1bve s ILE 15 Cb -0.21 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.44 1bve s ILE 15 CO -0.03 0.56 0.74 0.61 0.00 0.00 0.00 174.94 176.81 1bve n GLY 16 N 3.51 -0.29 2.66 6.18 0.00 -1.26 -1.27 105.19 114.73 1bve n GLY 16 Ca -0.19 0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.57 1.59 3.78 -0.02 0.00 -1.26 -4.95 105.19 102.76 1bve n GLY 17 Ca -0.04 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.39 2.23 -0.04 1.61 -1.52 -0.39 -5.13 119.66 113.03 1bve s GLN 18 Ca 0.00 -1.95 -0.01 0.00 -1.95 0.00 0.00 55.36 51.44 1bve s GLN 18 Cb 0.00 -1.95 0.03 0.00 -0.22 0.00 0.00 33.01 30.87 1bve s GLN 18 CO 0.00 -0.25 0.05 -0.51 -0.25 0.00 0.00 175.29 174.33 1bve s LEU 19 N -3.98 0.39 0.28 2.90 1.43 -1.26 -2.32 118.68 116.12 1bve s LEU 19 Ca 0.35 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.53 1bve s LEU 19 Cb 0.02 -0.14 -0.03 0.00 0.03 0.00 0.00 46.19 46.08 1bve s LEU 19 CO 0.20 -0.22 0.27 -0.54 0.23 0.00 0.00 176.35 176.29 1bve s LYS 20 N 1.89 1.57 1.01 1.70 1.02 -1.16 -4.99 119.74 120.79 1bve s LYS 20 Ca 0.02 -1.80 -0.17 0.00 0.02 0.00 0.00 55.97 54.04 1bve s LYS 20 Cb -0.12 0.33 0.22 0.00 -0.52 0.00 0.00 37.83 37.74 1bve s LYS 20 CO -0.03 -0.58 1.31 -1.21 -0.92 0.00 0.00 175.35 173.92 1bve s GLU 21 N -3.67 0.29 -0.29 1.68 2.02 -1.26 -1.74 118.70 115.73 1bve s GLU 21 Ca 0.37 -0.41 0.02 0.00 0.02 0.00 0.00 54.97 54.97 1bve s GLU 21 Cb 0.03 -1.81 0.18 0.00 0.10 0.00 0.00 34.13 32.64 1bve s GLU 21 CO 0.20 -2.65 0.52 0.00 0.02 0.00 0.00 175.26 173.35 1bve s ALA 22 N -3.80 -1.90 -0.86 5.21 0.00 -0.08 -4.42 121.76 115.90 1bve s ALA 22 Ca 0.75 1.04 -0.25 0.00 0.00 0.00 0.00 51.96 53.50 1bve s ALA 22 Cb -0.04 -2.21 -0.02 0.00 0.00 0.00 0.00 23.12 20.85 1bve s ALA 22 CO 0.54 -1.60 1.79 -1.17 0.00 0.00 0.00 175.76 175.31 1bve s LEU 23 N 2.73 3.25 -0.91 0.00 2.96 0.13 -2.28 118.68 124.55 1bve s LEU 23 Ca 0.13 -0.62 -0.27 0.00 -0.22 0.00 0.00 54.13 53.15 1bve s LEU 23 Cb -0.13 -2.56 -0.21 0.00 0.50 0.00 0.00 46.19 43.80 1bve s LEU 23 CO -0.24 -2.38 2.58 0.18 -1.32 0.00 0.00 176.35 175.17 1bve n LEU 24 N 12.45 0.43 -4.24 -0.68 4.77 -1.11 -3.12 117.00 125.50 1bve n LEU 24 Ca 0.32 -0.07 -0.43 0.00 -0.03 0.00 0.00 56.01 55.80 1bve n LEU 24 Cb 0.49 -1.00 -0.05 0.00 -2.33 0.00 0.00 43.42 40.53 1bve n LEU 24 CO 0.64 -1.01 0.27 -0.62 -1.33 0.00 0.00 177.39 175.34 1bve s ASP 25 N 8.44 6.16 0.20 -1.43 -1.08 -0.30 -4.72 116.67 123.94 1bve s ASP 25 Ca 1.28 -2.75 0.20 0.00 -0.52 0.00 0.00 52.55 50.76 1bve s ASP 25 Cb -1.00 -2.07 0.89 0.00 -1.46 0.00 0.00 42.92 39.28 1bve s ASP 25 CO 0.45 -0.49 1.62 0.41 0.52 0.00 0.00 175.17 177.68 1bve n THR 26 N 3.79 0.94 -0.08 1.71 -1.04 -1.26 -2.28 114.28 116.06 1bve n THR 26 Ca 0.11 0.31 -0.14 0.00 -2.04 0.00 0.00 64.05 62.29 1bve n THR 26 Cb 0.43 -1.22 -0.05 0.00 -1.82 0.00 0.00 70.33 67.67 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 1.91 0.82 -1.18 3.41 0.00 -1.90 -3.43 103.07 102.70 1bve h GLY 27 Ca 0.00 -0.93 -0.50 0.00 0.00 0.00 0.00 47.33 45.90 1bve h GLY 27 CO 0.00 0.84 0.32 0.00 0.00 0.00 0.00 176.54 177.70 1bve s ALA 28 N -4.16 2.22 -0.89 3.60 0.00 -0.97 -4.97 121.76 116.60 1bve s ALA 28 Ca -0.12 -0.02 0.22 0.00 0.00 0.00 0.00 51.96 52.04 1bve s ALA 28 Cb 0.09 -3.17 -0.17 0.00 0.00 0.00 0.00 23.12 19.87 1bve s ALA 28 CO 0.86 -1.73 0.91 -0.25 0.00 0.00 0.00 175.76 175.55 1bve n ASP 29 N -3.46 0.85 -1.79 0.00 9.92 -1.26 -2.88 116.55 117.93 1bve n ASP 29 Ca 0.07 -0.81 -0.07 0.00 -0.53 0.00 0.00 54.79 53.46 1bve n ASP 29 Cb 0.55 1.02 -0.03 0.00 -0.64 0.00 0.00 41.12 42.03 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 -1.59 -0.11 -4.21 -2.24 2.03 -1.26 -2.43 116.55 106.75 1bve n ASP 30 Ca 0.03 -1.72 -0.41 0.00 0.52 0.00 0.00 54.79 53.21 1bve n ASP 30 Cb 0.36 0.53 -0.05 0.00 -0.72 0.00 0.00 41.12 41.23 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 -2.41 4.72 0.84 5.18 2.01 -1.20 0.66 115.64 125.44 1bve s THR 31 Ca 0.13 -2.89 -0.11 0.00 0.31 0.00 0.00 61.69 59.12 1bve s THR 31 Cb 0.01 -3.96 0.09 0.00 0.01 0.00 0.00 72.50 68.65 1bve s THR 31 CO 0.09 -0.98 1.09 0.54 -0.69 0.00 0.00 174.62 174.67 1bve s VAL 32 N -0.19 2.97 -0.26 3.82 0.11 0.56 -1.35 120.40 126.05 1bve s VAL 32 Ca 0.19 0.32 -0.11 0.00 -2.93 0.00 0.00 61.98 59.45 1bve s VAL 32 Cb -0.14 -2.82 0.10 0.00 -1.53 0.00 0.00 36.38 31.99 1bve s VAL 32 CO -0.07 -0.41 0.60 -0.76 -3.33 0.00 0.00 175.10 171.12 1bve s LEU 33 N -6.06 -0.88 0.65 2.54 1.02 0.26 0.26 118.68 116.46 1bve s LEU 33 Ca 0.62 1.38 -0.18 0.00 0.02 0.00 0.00 54.13 55.98 1bve s LEU 33 Cb -0.17 2.06 -0.14 0.00 0.02 0.00 0.00 46.19 47.96 1bve s LEU 33 CO 0.56 -0.23 -0.24 -1.84 0.02 0.00 0.00 176.35 174.63 1bve n GLU 34 N 4.95 0.03 -1.31 1.70 0.28 -1.08 -2.67 120.64 122.54 1bve n GLU 34 Ca -0.15 0.01 -0.40 0.00 -0.16 0.00 0.00 57.16 56.46 1bve n GLU 34 Cb 0.53 -1.08 0.01 0.00 1.43 0.00 0.00 31.44 32.33 1bve n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1bve n GLU 35 N 1.56 0.12 -3.61 3.44 2.13 0.29 -4.49 120.64 120.08 1bve n GLU 35 Ca 0.06 0.04 -0.03 0.00 0.66 0.00 0.00 57.16 57.90 1bve n GLU 35 Cb 0.50 -1.13 -0.01 0.00 0.27 0.00 0.00 31.44 31.06 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 -1.19 0.51 -0.74 5.31 0.23 -1.26 -4.95 119.30 117.22 1bve s MET 36 Ca 0.60 -0.24 -0.27 0.00 -1.03 0.00 0.00 55.69 54.75 1bve s MET 36 Cb -0.56 0.20 0.03 0.00 -1.53 0.00 0.00 34.83 32.97 1bve s MET 36 CO 0.63 -0.23 1.29 0.45 -2.03 0.00 0.00 175.02 175.13 1bve s SER 37 N -2.61 6.15 -0.32 -1.18 0.15 -1.26 -4.94 113.70 109.68 1bve s SER 37 Ca 0.11 -0.43 0.01 0.00 0.70 0.00 0.00 55.95 56.34 1bve s SER 37 Cb 0.01 -2.56 0.10 0.00 -1.71 0.00 0.00 66.02 61.86 1bve s SER 37 CO -0.04 -1.85 0.07 -0.22 1.20 0.00 0.00 173.24 172.40 1bve s LEU 38 N 5.80 3.40 0.75 3.45 2.96 -1.26 -4.96 118.68 128.82 1bve s LEU 38 Ca 0.36 -1.86 -0.12 0.00 -0.22 0.00 0.00 54.13 52.29 1bve s LEU 38 Cb -0.08 -1.22 0.04 0.00 0.50 0.00 0.00 46.19 45.43 1bve s LEU 38 CO 0.15 -0.39 1.11 -2.16 -1.32 0.00 0.00 176.35 173.74 1bve s PRO 39 N 1.28 2.49 0.00 0.98 0.04 -1.26 -4.96 135.00 133.57 1bve s PRO 39 Ca 0.10 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1bve s PRO 39 Cb -0.18 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1bve s PRO 39 CO -0.17 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 175.98 1bve n GLY 40 N -2.77 0.51 3.85 0.56 0.00 -1.26 -5.02 105.19 101.06 1bve n GLY 40 Ca 0.07 -2.24 -0.37 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.26 3.69 0.30 1.61 3.00 -1.26 -5.08 118.95 120.95 1bve s ARG 41 Ca 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 55.73 55.74 1bve s ARG 41 Cb 0.00 -3.22 -0.00 0.00 0.00 0.00 0.00 34.95 31.73 1bve s ARG 41 CO 0.00 0.70 0.46 1.67 0.00 0.00 0.00 175.30 178.13 1bve s TRP 42 N -0.90 0.76 0.12 -0.53 1.48 -1.26 -4.24 118.94 114.36 1bve s TRP 42 Ca 0.18 -1.06 0.00 0.00 -1.06 0.00 0.00 56.10 54.16 1bve s TRP 42 Cb -0.14 0.02 -0.04 0.00 -1.16 0.00 0.00 33.47 32.15 1bve s TRP 42 CO 0.07 -1.06 0.01 0.15 -4.06 0.00 0.00 176.95 172.06 1bve s LYS 43 N -3.48 0.90 0.29 3.25 1.02 -1.01 -4.84 119.74 115.87 1bve s LYS 43 Ca 0.27 -1.41 -0.29 0.00 0.02 0.00 0.00 55.97 54.57 1bve s LYS 43 Cb -0.00 0.05 -0.09 0.00 -0.52 0.00 0.00 37.83 37.27 1bve s LYS 43 CO 0.15 -0.17 1.07 -1.25 -0.92 0.00 0.00 175.35 174.23 1bve s PRO 44 N -3.97 4.59 0.18 -1.68 0.04 -1.26 0.07 135.00 132.97 1bve s PRO 44 Ca 0.19 1.71 -0.04 0.00 0.04 0.00 0.00 61.00 62.90 1bve s PRO 44 Cb 0.07 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 1bve s PRO 44 CO -0.01 0.19 0.19 0.15 0.04 0.00 0.00 177.00 177.57 1bve s LYS 45 N -1.59 1.15 -0.19 4.56 1.02 -0.15 -4.82 119.74 119.71 1bve s LYS 45 Ca 0.46 -1.41 -0.06 0.00 0.02 0.00 0.00 55.97 54.98 1bve s LYS 45 Cb -0.29 0.31 0.09 0.00 -0.52 0.00 0.00 37.83 37.42 1bve s LYS 45 CO 0.38 -0.39 0.39 1.41 -0.92 0.00 0.00 175.35 176.22 1bve s MET 46 N -4.06 0.30 -0.20 1.68 -2.45 -1.26 -1.47 119.30 111.84 1bve s MET 46 Ca 0.27 0.94 -0.08 0.00 -1.25 0.00 0.00 55.69 55.57 1bve s MET 46 Cb 0.05 0.19 -0.04 0.00 1.25 0.00 0.00 34.83 36.28 1bve s MET 46 CO 0.06 -0.30 0.09 0.96 1.05 0.00 0.00 175.02 176.88 1bve s ILE 47 N 2.58 4.99 -0.40 10.11 -4.36 -0.67 -4.90 121.20 128.56 1bve s ILE 47 Ca 0.00 0.04 0.02 0.00 -0.26 0.00 0.00 60.65 60.46 1bve s ILE 47 Cb -0.12 -3.27 0.11 0.00 1.25 0.00 0.00 42.46 40.42 1bve s ILE 47 CO -0.13 0.43 0.14 -0.83 0.24 0.00 0.00 174.94 174.79 1bve s GLY 48 N 0.56 2.06 0.00 6.27 0.00 -1.26 -1.09 107.32 113.85 1bve s GLY 48 Ca 0.05 -2.69 0.00 0.00 0.00 0.00 0.00 44.72 42.08 1bve s GLY 48 CO 0.01 0.98 0.00 0.61 0.00 0.00 0.00 173.10 174.70 1bve n GLY 49 N 4.12 1.81 3.55 0.20 0.00 -1.01 -4.93 105.19 108.93 1bve n GLY 49 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 3.11 4.25 0.00 -0.61 1.01 -1.26 -3.99 121.20 123.71 1bve s ILE 50 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.19 1bve s ILE 50 Cb 0.00 -4.61 0.00 0.00 0.01 0.00 0.00 42.46 37.86 1bve s ILE 50 CO 0.00 -1.19 0.00 0.61 0.00 0.00 0.00 174.94 174.36 1bve n GLY 51 N 5.09 3.26 0.00 6.18 0.00 -1.26 -5.04 105.19 113.42 1bve n GLY 51 Ca 0.04 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.87 3.33 -0.02 0.00 -1.26 -5.11 105.19 101.26 1bve n GLY 52 Ca 0.00 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.00 3.05 0.28 1.61 0.40 -1.26 -2.40 117.98 116.66 1bve s PHE 53 Ca 0.00 -0.91 0.05 0.00 -0.60 0.00 0.00 56.93 55.46 1bve s PHE 53 Cb 0.00 -2.17 -0.03 0.00 0.51 0.00 0.00 43.02 41.34 1bve s PHE 53 CO 0.00 -0.54 0.41 0.96 0.70 0.00 0.00 175.22 176.75 1bve s ILE 54 N 1.49 4.99 -0.16 0.64 -4.36 -0.25 -4.88 121.20 118.67 1bve s ILE 54 Ca 0.04 -0.92 -0.07 0.00 -0.26 0.00 0.00 60.65 59.44 1bve s ILE 54 Cb -0.15 -3.77 -0.04 0.00 1.25 0.00 0.00 42.46 39.74 1bve s ILE 54 CO -0.00 -0.33 0.09 -0.54 0.24 0.00 0.00 174.94 174.40 1bve s LYS 55 N -4.07 3.83 0.37 0.37 1.02 -1.26 -1.67 119.74 118.33 1bve s LYS 55 Ca 0.37 -0.28 0.05 0.00 0.02 0.00 0.00 55.97 56.14 1bve s LYS 55 Cb -0.09 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 33.98 1bve s LYS 55 CO 0.30 0.42 0.20 0.14 -0.92 0.00 0.00 175.35 175.49 1bve s VAL 56 N -0.04 0.31 0.43 3.17 -7.23 -0.54 -3.54 120.40 112.97 1bve s VAL 56 Ca 0.08 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.32 1bve s VAL 56 Cb -0.12 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 1bve s VAL 56 CO 0.01 0.00 0.27 -0.13 -0.31 0.00 0.00 175.10 174.93 1bve s ARG 57 N -3.60 2.33 -0.34 4.82 0.52 0.31 -0.98 118.95 122.01 1bve s ARG 57 Ca 0.31 -1.78 0.00 0.00 -0.52 0.00 0.00 55.73 53.74 1bve s ARG 57 Cb 0.02 -2.11 0.11 0.00 0.52 0.00 0.00 34.95 33.49 1bve s ARG 57 CO 0.20 -0.21 0.13 -1.14 0.02 0.00 0.00 175.30 174.31 1bve s GLN 58 N -4.02 0.85 -0.33 3.54 0.74 0.11 -2.76 119.66 117.80 1bve s GLN 58 Ca 0.42 -1.31 -0.15 0.00 0.05 0.00 0.00 55.36 54.36 1bve s GLN 58 Cb 0.01 -2.06 -0.02 0.00 1.10 0.00 0.00 33.01 32.04 1bve s GLN 58 CO 0.24 -1.04 0.35 0.71 -0.55 0.00 0.00 175.29 175.00 1bve s TYR 59 N 1.29 3.22 0.11 1.67 2.02 -0.61 -2.41 117.35 122.64 1bve s TYR 59 Ca 0.12 0.05 -0.09 0.00 -0.37 0.00 0.00 57.07 56.78 1bve s TYR 59 Cb -0.19 -2.64 -0.06 0.00 -0.40 0.00 0.00 41.96 38.67 1bve s TYR 59 CO -0.18 -0.38 0.41 -0.51 -1.57 0.00 0.00 175.55 173.32 1bve s ASP 60 N 1.72 6.62 -0.50 2.29 1.01 -1.26 -1.42 116.67 125.13 1bve s ASP 60 Ca 0.12 0.77 -0.01 0.00 0.71 0.00 0.00 52.55 54.14 1bve s ASP 60 Cb -0.16 -2.17 -0.01 0.00 1.01 0.00 0.00 42.92 41.59 1bve s ASP 60 CO 0.11 0.13 0.46 0.00 0.21 0.00 0.00 175.17 176.08 1bve n GLN 61 N 0.66 -0.96 -3.96 8.23 1.13 -1.07 -4.95 117.38 116.47 1bve n GLN 61 Ca -0.06 0.96 -0.31 0.00 -1.94 0.00 0.00 57.00 55.65 1bve n GLN 61 Cb 0.52 -4.12 -0.15 0.00 0.11 0.00 0.00 30.24 26.59 1bve n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1bve s ILE 62 N -3.06 1.66 -0.43 5.09 -1.09 -0.24 -4.82 121.20 118.30 1bve s ILE 62 Ca 0.07 -1.38 -0.27 0.00 -2.23 0.00 0.00 60.65 56.85 1bve s ILE 62 Cb -0.01 -1.93 -0.07 0.00 -1.58 0.00 0.00 42.46 38.87 1bve s ILE 62 CO 0.46 -0.15 2.37 -0.11 -1.23 0.00 0.00 174.94 176.28 1bve n LEU 63 N 4.61 2.54 -4.57 2.97 0.00 -1.26 -2.60 117.00 118.69 1bve n LEU 63 Ca -0.11 -0.33 -0.38 0.00 0.00 0.00 0.00 56.01 55.19 1bve n LEU 63 Cb 0.43 -1.58 -0.11 0.00 0.00 0.00 0.00 43.42 42.17 1bve n LEU 63 CO 0.18 -1.36 -0.17 -0.51 0.00 0.00 0.00 177.39 175.54 1bve s ILE 64 N 11.27 5.24 -0.46 1.96 2.07 -0.43 -4.22 121.20 136.63 1bve s ILE 64 Ca 0.99 0.10 -0.24 0.00 -1.41 0.00 0.00 60.65 60.10 1bve s ILE 64 Cb -0.22 -3.51 0.03 0.00 0.13 0.00 0.00 42.46 38.88 1bve s ILE 64 CO 0.29 0.23 0.82 -0.70 -1.91 0.00 0.00 174.94 173.66 1bve s GLU 65 N 1.75 3.43 -0.17 3.50 2.12 -0.68 -2.34 118.70 126.30 1bve s GLU 65 Ca 0.07 -0.06 -0.01 0.00 0.36 0.00 0.00 54.97 55.33 1bve s GLU 65 Cb -0.16 -3.94 -0.00 0.00 0.26 0.00 0.00 34.13 30.29 1bve s GLU 65 CO 0.10 -1.15 -0.13 0.42 -0.54 0.00 0.00 175.26 173.96 1bve s ILE 66 N 3.40 2.75 -1.47 -3.70 1.01 -1.09 -1.65 121.20 120.45 1bve s ILE 66 Ca 0.31 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 60.16 1bve s ILE 66 Cb -0.12 -2.18 0.03 0.00 0.01 0.00 0.00 42.46 40.20 1bve s ILE 66 CO 0.23 0.50 0.65 0.00 0.00 0.00 0.00 174.94 176.33 1bve n GLY 68 N -1.48 0.15 2.91 0.00 0.00 -1.26 -4.99 105.19 100.52 1bve n GLY 68 Ca -0.06 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.58 2.19 0.17 1.61 3.76 -0.17 -5.09 115.29 115.18 1bve s HIS 69 Ca 0.00 -1.61 -0.34 0.00 -0.15 0.00 0.00 55.06 52.97 1bve s HIS 69 Cb 0.00 -1.50 -0.14 0.00 1.11 0.00 0.00 32.58 32.05 1bve s HIS 69 CO 0.00 -0.75 1.55 1.17 -0.85 0.00 0.00 174.74 175.86 1bve n LYS 70 N 4.73 2.10 -3.38 1.40 4.81 -1.26 -2.69 118.16 123.87 1bve n LYS 70 Ca -0.12 0.76 -0.15 0.00 -0.87 0.00 0.00 58.31 57.93 1bve n LYS 70 Cb 0.45 -2.51 -0.09 0.00 0.02 0.00 0.00 35.03 32.90 1bve n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1bve s ALA 71 N 0.77 -0.67 0.38 3.14 0.00 -0.99 -4.85 121.76 119.54 1bve s ALA 71 Ca 0.78 -0.06 -0.24 0.00 0.00 0.00 0.00 51.96 52.44 1bve s ALA 71 Cb -0.68 -1.83 -0.10 0.00 0.00 0.00 0.00 23.12 20.51 1bve s ALA 71 CO 0.40 -1.66 0.98 0.42 0.00 0.00 0.00 175.76 175.90 1bve s ILE 72 N 2.42 4.08 0.11 0.00 -1.09 -1.26 -1.32 121.20 124.13 1bve s ILE 72 Ca 0.10 1.56 -0.18 0.00 -2.23 0.00 0.00 60.65 59.89 1bve s ILE 72 Cb -0.14 -3.79 0.06 0.00 -1.58 0.00 0.00 42.46 37.02 1bve s ILE 72 CO -0.30 -0.02 0.85 0.61 -1.23 0.00 0.00 174.94 174.85 1bve n GLY 73 N 0.18 0.65 3.53 6.18 0.00 -1.07 -4.83 105.19 109.83 1bve n GLY 73 Ca 0.04 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.14 4.96 -0.13 2.61 2.01 -1.26 -1.08 115.64 120.61 1bve s THR 74 Ca 0.19 0.10 -0.09 0.00 0.31 0.00 0.00 61.69 62.20 1bve s THR 74 Cb -0.02 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1bve s THR 74 CO 0.03 -0.41 0.18 -0.69 -0.69 0.00 0.00 174.62 173.04 1bve s VAL 75 N 2.51 5.42 -0.11 3.82 1.01 -0.50 -3.22 120.40 129.32 1bve s VAL 75 Ca 0.19 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.44 1bve s VAL 75 Cb -0.15 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1bve s VAL 75 CO 0.16 0.56 -0.01 -0.76 0.00 0.00 0.00 175.10 175.04 1bve s LEU 76 N -0.63 3.45 -0.24 3.92 1.02 -0.45 -1.58 118.68 124.18 1bve s LEU 76 Ca 0.15 0.04 0.01 0.00 0.02 0.00 0.00 54.13 54.34 1bve s LEU 76 Cb -0.12 -1.80 0.04 0.00 0.02 0.00 0.00 46.19 44.32 1bve s LEU 76 CO 0.04 0.30 -0.11 -0.69 0.02 0.00 0.00 176.35 175.90 1bve s VAL 77 N -0.40 2.38 0.00 -1.59 1.01 -1.11 0.92 120.40 121.62 1bve s VAL 77 Ca 0.07 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1bve s VAL 77 Cb -0.12 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1bve s VAL 77 CO 0.02 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1bve n GLY 78 N 4.55 3.47 1.49 4.51 0.00 -1.09 -0.53 105.19 117.60 1bve n GLY 78 Ca -0.16 -1.13 -0.01 0.00 0.00 0.00 0.00 46.02 44.72 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 1.03 -3.10 1.61 -0.04 -1.23 0.11 135.00 133.37 1bve n PRO 79 Ca 0.00 -0.05 -0.39 0.00 -0.04 0.00 0.00 63.50 63.02 1bve n PRO 79 Cb 0.00 -1.02 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.07 4.82 -1.12 0.52 -1.32 -1.26 -4.94 115.64 112.26 1bve s THR 80 Ca 0.01 1.43 0.00 0.00 -1.21 0.00 0.00 61.69 61.92 1bve s THR 80 Cb 0.01 -4.02 0.00 0.00 -1.51 0.00 0.00 72.50 66.98 1bve s THR 80 CO -0.00 0.39 0.51 -0.81 -2.21 0.00 0.00 174.62 172.50 1bve n PRO 81 N 2.75 0.91 -3.45 7.08 -0.04 -1.26 -3.60 135.00 137.39 1bve n PRO 81 Ca -0.05 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.29 1bve n PRO 81 Cb 0.51 -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 0.08 -0.04 0.00 0.00 175.50 175.54 1bve s VAL 82 N -1.12 0.00 -0.58 0.52 1.01 -1.26 -4.99 120.40 113.98 1bve s VAL 82 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.79 1bve s VAL 82 Cb 0.00 -1.00 0.10 0.00 0.00 0.00 0.00 36.38 35.48 1bve s VAL 82 CO 0.00 0.00 0.69 0.20 0.00 0.00 0.00 175.10 175.99 1bve s ASN 83 N -2.54 6.18 -0.11 3.32 0.01 -1.26 -2.63 114.94 117.92 1bve s ASN 83 Ca 0.01 -1.44 -0.22 0.00 -0.71 0.00 0.00 52.86 50.50 1bve s ASN 83 Cb -0.01 -2.29 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 1bve s ASN 83 CO -0.10 -1.09 0.63 -0.63 -1.51 0.00 0.00 177.10 174.41 1bve s ILE 84 N 2.61 5.07 -0.64 0.60 -1.09 0.14 0.18 121.20 128.07 1bve s ILE 84 Ca 0.11 1.27 -0.10 0.00 -2.23 0.00 0.00 60.65 59.71 1bve s ILE 84 Cb -0.24 -3.97 0.17 0.00 -1.58 0.00 0.00 42.46 36.84 1bve s ILE 84 CO 0.06 0.24 0.53 -0.63 -1.23 0.00 0.00 174.94 173.91 1bve s ILE 85 N 1.00 4.63 0.00 2.92 1.09 -1.18 -0.33 121.20 129.33 1bve s ILE 85 Ca 0.33 -2.35 0.00 0.00 -1.10 0.00 0.00 60.65 57.53 1bve s ILE 85 Cb -0.17 -3.95 0.00 0.00 -1.06 0.00 0.00 42.46 37.28 1bve s ILE 85 CO 0.14 -0.90 0.00 0.61 -0.10 0.00 0.00 174.94 174.69 1bve n GLY 86 N 4.19 -0.74 0.17 6.18 0.00 0.21 -1.15 105.19 114.06 1bve n GLY 86 Ca 0.04 -1.64 0.02 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.42 1.61 3.08 -1.59 -1.61 114.38 115.46 1bve h ARG 87 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.17 1bve h ARG 87 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1bve h ARG 87 CO 0.00 0.44 0.58 -2.95 -1.07 0.00 0.00 179.97 176.98 1bve h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.75 -1.14 115.58 118.66 1bve h ASN 88 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 56.26 1bve h ASN 88 Cb 0.80 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.03 1bve h ASN 88 CO 0.06 0.00 -1.47 0.18 0.07 0.00 0.00 177.43 176.27 1bve n LEU 89 N -3.41 0.00 0.25 6.14 7.99 -1.00 -4.35 117.00 122.62 1bve n LEU 89 Ca 0.08 0.00 0.09 0.00 -0.01 0.00 0.00 56.01 56.16 1bve n LEU 89 Cb 0.75 0.14 0.62 0.00 -0.11 0.00 0.00 43.42 44.82 1bve n LEU 89 CO 0.23 0.14 0.96 -0.07 -1.51 0.00 0.00 177.39 177.14 1bve h LEU 90 N 0.00 0.00 -0.08 2.23 3.38 -0.27 0.33 115.31 120.89 1bve h LEU 90 Ca -0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1bve h LEU 90 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1bve h LEU 90 CO 0.01 0.13 -0.06 0.71 0.09 0.00 0.00 178.44 179.31 1bve h THR 91 N 0.00 0.11 0.17 0.22 1.35 -1.51 -0.41 112.91 112.84 1bve h THR 91 Ca -0.00 -1.12 -0.30 0.00 -0.55 0.00 0.00 66.41 64.44 1bve h THR 91 Cb 0.25 2.02 0.01 0.00 -1.73 0.00 0.00 68.15 68.71 1bve h THR 91 CO 0.02 0.06 -1.38 1.56 -0.25 0.00 0.00 175.52 175.53 1bve h GLN 92 N 0.00 0.35 -0.01 4.72 1.08 -1.17 -3.18 115.11 116.90 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 1.02 0.22 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 1bve h GLN 92 CO 0.01 1.27 -0.02 0.44 -0.95 0.00 0.00 178.83 179.58 1bve n ILE 93 N -3.58 0.00 -2.81 2.54 -5.35 -0.64 -4.90 119.36 104.63 1bve n ILE 93 Ca -0.13 -0.14 -0.09 0.00 -0.27 0.00 0.00 62.75 62.12 1bve n ILE 93 Cb 1.05 0.09 0.04 0.00 -1.74 0.00 0.00 39.64 39.08 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 1.13 -0.76 3.81 3.28 0.00 -0.98 -4.94 105.19 106.74 1bve n GLY 94 Ca 0.20 0.37 -0.37 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.23 3.73 -0.05 4.61 0.00 -0.20 -4.99 121.76 121.62 1bve s ALA 95 Ca 0.27 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.76 1bve s ALA 95 Cb -0.04 -2.22 0.02 0.00 0.00 0.00 0.00 23.12 20.88 1bve s ALA 95 CO 0.57 0.37 -0.06 0.95 0.00 0.00 0.00 175.76 177.59 1bve s THR 96 N -0.43 0.66 -0.47 0.00 -4.23 -1.26 -4.87 115.64 105.04 1bve s THR 96 Ca 0.17 -0.18 -0.24 0.00 -1.18 0.00 0.00 61.69 60.25 1bve s THR 96 Cb -0.13 -0.67 0.03 0.00 1.34 0.00 0.00 72.50 73.06 1bve s THR 96 CO 0.06 0.26 0.85 -0.76 -0.54 0.00 0.00 174.62 174.49 1bve s LEU 97 N 0.96 4.16 -0.25 4.79 1.02 -1.26 -5.01 118.68 123.09 1bve s LEU 97 Ca -0.10 -0.08 -0.08 0.00 0.02 0.00 0.00 54.13 53.89 1bve s LEU 97 Cb -0.14 -3.02 -0.03 0.00 0.02 0.00 0.00 46.19 43.02 1bve s LEU 97 CO 0.00 -1.00 0.08 0.20 0.02 0.00 0.00 176.35 175.65 1bve s ASN 98 N 2.28 5.28 0.00 2.29 0.02 -1.26 -5.30 114.94 118.24 1bve s ASN 98 Ca 0.32 -0.16 0.00 0.00 -1.02 0.00 0.00 52.86 52.00 1bve s ASN 98 Cb -0.12 -1.95 0.00 0.00 0.02 0.00 0.00 41.25 39.20 1bve s ASN 98 CO 0.23 -0.02 0.14 2.22 0.02 0.00 0.00 177.10 179.69