#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 -0.04 -0.52 0.74 -1.26 -5.04 119.66 118.10 1bve s GLN 2 Ca 0.00 1.18 -0.00 0.00 0.05 0.00 0.00 55.36 56.59 1bve s GLN 2 Cb 0.00 -3.13 0.03 0.00 1.10 0.00 0.00 33.01 31.00 1bve s GLN 2 CO 0.00 0.49 0.01 0.08 -0.55 0.00 0.00 175.29 175.33 1bve s VAL 3 N -1.28 0.14 0.00 1.34 1.01 -1.26 -4.95 120.40 115.39 1bve s VAL 3 Ca 0.40 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1bve s VAL 3 Cb -0.22 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 35.88 1bve s VAL 3 CO 0.26 0.17 0.85 0.35 0.00 0.00 0.00 175.10 176.72 1bve n THR 4 N 4.56 0.70 -1.08 3.92 -2.24 -1.26 -5.00 114.28 113.88 1bve n THR 4 Ca -0.18 -0.83 -0.17 0.00 -2.27 0.00 0.00 64.05 60.60 1bve n THR 4 Cb 0.50 0.66 -0.16 0.00 -2.10 0.00 0.00 70.33 69.23 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 -0.35 -0.96 0.31 3.22 7.99 -1.26 -4.59 117.00 121.36 1bve n LEU 5 Ca 0.00 -0.35 0.03 0.00 -0.01 0.00 0.00 56.01 55.67 1bve n LEU 5 Cb 0.19 -0.41 0.11 0.00 -0.11 0.00 0.00 43.42 43.21 1bve n LEU 5 CO 0.00 -1.00 1.02 -0.50 -1.51 0.00 0.00 177.39 175.41 1bve h TRP 6 N 7.99 0.00 -2.20 -1.77 4.06 -2.06 -3.39 115.95 118.59 1bve h TRP 6 Ca 0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.97 1bve h TRP 6 Cb 0.83 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.99 1bve h TRP 6 CO 0.98 0.00 0.00 1.04 -3.56 0.00 0.00 178.44 176.90 1bve n GLN 7 N -2.57 3.63 -2.45 0.49 6.02 -1.26 -5.03 117.38 116.20 1bve n GLN 7 Ca 0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.57 1bve n GLN 7 Cb 0.95 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 32.19 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 2.65 3.97 -1.19 -1.09 0.52 -1.26 -4.94 118.95 117.62 1bve s ARG 8 Ca 0.00 1.28 -0.19 0.00 -0.52 0.00 0.00 55.73 56.30 1bve s ARG 8 Cb 0.00 -3.85 0.08 0.00 0.52 0.00 0.00 34.95 31.70 1bve s ARG 8 CO 0.00 -1.05 1.58 -1.25 0.02 0.00 0.00 175.30 174.61 1bve s PRO 9 N 4.03 3.87 0.78 3.54 0.04 -1.26 -4.98 135.00 141.02 1bve s PRO 9 Ca 0.55 -1.82 -0.12 0.00 0.04 0.00 0.00 61.00 59.65 1bve s PRO 9 Cb -0.17 -5.39 0.06 0.00 0.04 0.00 0.00 34.50 29.04 1bve s PRO 9 CO 0.21 -2.15 1.13 -0.51 0.04 0.00 0.00 177.00 175.72 1bve s LEU 10 N 3.98 2.62 -0.12 -3.56 1.02 -1.26 -2.94 118.68 118.42 1bve s LEU 10 Ca 0.49 1.03 -0.07 0.00 0.02 0.00 0.00 54.13 55.61 1bve s LEU 10 Cb 0.01 -3.65 0.05 0.00 0.02 0.00 0.00 46.19 42.62 1bve s LEU 10 CO 0.01 -1.77 0.29 0.68 0.02 0.00 0.00 176.35 175.58 1bve s VAL 11 N -3.38 -0.03 -0.52 -1.59 -7.23 -0.85 -4.90 120.40 101.90 1bve s VAL 11 Ca 0.60 0.12 -0.27 0.00 -1.81 0.00 0.00 61.98 60.62 1bve s VAL 11 Cb -0.12 -0.44 -0.02 0.00 0.56 0.00 0.00 36.38 36.36 1bve s VAL 11 CO 0.52 0.05 1.87 -0.89 -0.31 0.00 0.00 175.10 176.34 1bve s THR 12 N 1.17 3.38 -0.13 5.32 2.01 -1.26 -1.59 115.64 124.53 1bve s THR 12 Ca -0.08 0.29 -0.06 0.00 0.31 0.00 0.00 61.69 62.14 1bve s THR 12 Cb -0.09 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1bve s THR 12 CO -0.09 -0.70 0.09 0.27 -0.69 0.00 0.00 174.62 173.51 1bve s ILE 13 N 8.61 5.07 -0.66 1.82 -4.36 -0.92 -4.05 121.20 126.71 1bve s ILE 13 Ca 0.73 0.05 -0.10 0.00 -0.26 0.00 0.00 60.65 61.07 1bve s ILE 13 Cb -0.16 -3.21 0.17 0.00 1.25 0.00 0.00 42.46 40.51 1bve s ILE 13 CO 0.25 0.57 0.55 -0.75 0.24 0.00 0.00 174.94 175.80 1bve s LYS 14 N -0.62 2.99 -0.22 0.37 2.20 -1.09 -2.41 119.74 120.95 1bve s LYS 14 Ca 0.12 -2.24 -0.08 0.00 -0.36 0.00 0.00 55.97 53.41 1bve s LYS 14 Cb -0.12 -4.11 -0.04 0.00 -1.51 0.00 0.00 37.83 32.06 1bve s LYS 14 CO 0.02 -1.24 0.08 0.42 -0.36 0.00 0.00 175.35 174.27 1bve s ILE 15 N 0.54 4.62 -0.34 5.43 1.01 -0.86 -3.00 121.20 128.59 1bve s ILE 15 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.70 1bve s ILE 15 Cb -0.19 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.15 1bve s ILE 15 CO -0.04 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.89 1bve n GLY 16 N 4.34 0.53 1.46 6.18 0.00 -1.26 -1.56 105.19 114.87 1bve n GLY 16 Ca -0.16 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.16 0.71 3.91 -0.02 0.00 -1.26 -4.96 105.19 102.41 1bve n GLY 17 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.34 2.52 -0.08 1.61 1.11 -0.60 -5.06 119.66 118.80 1bve s GLN 18 Ca 0.00 -1.57 0.03 0.00 0.01 0.00 0.00 55.36 53.84 1bve s GLN 18 Cb 0.00 -2.41 0.00 0.00 -1.01 0.00 0.00 33.01 29.59 1bve s GLN 18 CO 0.00 -0.31 -0.19 -0.51 0.01 0.00 0.00 175.29 174.29 1bve s LEU 19 N -4.22 1.91 -0.10 2.90 1.43 -1.26 -2.02 118.68 117.32 1bve s LEU 19 Ca 0.48 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 53.00 1bve s LEU 19 Cb -0.04 -1.16 0.03 0.00 0.03 0.00 0.00 46.19 45.05 1bve s LEU 19 CO 0.29 0.12 0.36 -0.54 0.23 0.00 0.00 176.35 176.81 1bve s LYS 20 N 0.42 0.52 -0.05 1.70 1.02 -1.01 -5.01 119.74 117.33 1bve s LYS 20 Ca -0.16 0.31 -0.30 0.00 0.02 0.00 0.00 55.97 55.84 1bve s LYS 20 Cb -0.17 0.24 -0.03 0.00 -0.52 0.00 0.00 37.83 37.36 1bve s LYS 20 CO 0.06 -0.10 1.04 -1.21 -0.92 0.00 0.00 175.35 174.23 1bve s GLU 21 N -0.28 4.46 -0.32 1.68 0.41 -1.26 -2.17 118.70 121.23 1bve s GLU 21 Ca -0.04 1.47 -0.07 0.00 -0.41 0.00 0.00 54.97 55.92 1bve s GLU 21 Cb -0.03 -3.50 0.02 0.00 -1.78 0.00 0.00 34.13 28.84 1bve s GLU 21 CO 0.02 -0.23 0.11 0.00 -0.49 0.00 0.00 175.26 174.66 1bve s ALA 22 N 1.59 3.09 -0.45 5.21 0.00 -0.62 -3.85 121.76 126.73 1bve s ALA 22 Ca 0.52 -1.59 -0.28 0.00 0.00 0.00 0.00 51.96 50.60 1bve s ALA 22 Cb -0.21 -2.25 -0.00 0.00 0.00 0.00 0.00 23.12 20.66 1bve s ALA 22 CO 0.23 -1.13 1.61 -1.17 0.00 0.00 0.00 175.76 175.29 1bve s LEU 23 N 1.47 3.48 0.35 0.00 2.96 0.83 -2.01 118.68 125.76 1bve s LEU 23 Ca 0.01 0.79 -0.25 0.00 -0.22 0.00 0.00 54.13 54.46 1bve s LEU 23 Cb -0.18 -3.27 -0.14 0.00 0.50 0.00 0.00 46.19 43.10 1bve s LEU 23 CO 0.03 -1.73 0.71 0.18 -1.32 0.00 0.00 176.35 174.22 1bve n LEU 24 N 10.06 0.48 -3.21 -0.68 4.77 -1.15 -2.73 117.00 124.53 1bve n LEU 24 Ca 0.18 1.03 -0.01 0.00 -0.03 0.00 0.00 56.01 57.18 1bve n LEU 24 Cb 0.48 -1.15 -0.02 0.00 -2.33 0.00 0.00 43.42 40.40 1bve n LEU 24 CO 0.70 -2.38 0.03 -0.62 -1.33 0.00 0.00 177.39 173.79 1bve s ASP 25 N -0.83 -0.81 0.00 -1.43 2.15 -0.44 -4.75 116.67 110.56 1bve s ASP 25 Ca 0.62 -0.09 0.26 0.00 0.43 0.00 0.00 52.55 53.77 1bve s ASP 25 Cb -0.68 1.65 1.53 0.00 -0.30 0.00 0.00 42.92 45.12 1bve s ASP 25 CO 0.58 -0.32 1.89 0.41 -0.17 0.00 0.00 175.17 177.57 1bve n THR 26 N 5.35 0.01 0.03 1.71 -1.04 -1.26 -2.84 114.28 116.24 1bve n THR 26 Ca 0.04 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.03 1bve n THR 26 Cb 0.52 -0.60 -0.09 0.00 -1.82 0.00 0.00 70.33 68.34 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 4.03 0.00 -4.95 3.41 0.00 -1.93 -3.45 103.07 100.18 1bve h GLY 27 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1bve h GLY 27 CO 0.00 0.00 0.53 0.00 0.00 0.00 0.00 176.54 177.07 1bve s ALA 28 N -2.87 3.47 0.01 3.60 0.00 -1.13 -4.89 121.76 119.94 1bve s ALA 28 Ca -0.03 0.25 0.29 0.00 0.00 0.00 0.00 51.96 52.47 1bve s ALA 28 Cb 0.09 -3.38 1.49 0.00 0.00 0.00 0.00 23.12 21.31 1bve s ALA 28 CO 0.81 -0.66 1.87 -0.44 0.00 0.00 0.00 175.76 177.34 1bve h ASP 29 N 7.20 0.00 -1.87 0.00 3.32 -1.88 0.56 116.42 123.74 1bve h ASP 29 Ca -0.29 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.74 1bve h ASP 29 Cb 1.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 1bve h ASP 29 CO 0.86 0.00 -0.01 0.47 -1.72 0.00 0.00 179.24 178.84 1bve n ASP 30 N -2.52 -0.06 -4.24 6.45 9.92 -1.26 -2.90 116.55 121.95 1bve n ASP 30 Ca -0.01 -1.10 -0.42 0.00 -0.53 0.00 0.00 54.79 52.72 1bve n ASP 30 Cb 0.08 0.11 -0.04 0.00 -0.64 0.00 0.00 41.12 40.63 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 -2.30 5.02 0.84 -3.53 2.01 -1.09 0.48 115.64 117.08 1bve s THR 31 Ca 0.02 -3.02 -0.11 0.00 0.31 0.00 0.00 61.69 58.89 1bve s THR 31 Cb 0.00 -4.11 0.10 0.00 0.01 0.00 0.00 72.50 68.50 1bve s THR 31 CO 0.01 -1.03 1.09 0.54 -0.69 0.00 0.00 174.62 174.54 1bve s VAL 32 N -0.44 2.93 -0.28 3.82 0.11 0.39 -1.44 120.40 125.49 1bve s VAL 32 Ca 0.22 0.30 -0.15 0.00 -2.93 0.00 0.00 61.98 59.42 1bve s VAL 32 Cb -0.12 -2.80 0.09 0.00 -1.53 0.00 0.00 36.38 32.02 1bve s VAL 32 CO -0.08 -0.40 0.70 -0.76 -3.33 0.00 0.00 175.10 171.23 1bve s LEU 33 N -6.09 -0.95 1.01 2.54 1.02 0.19 -1.20 118.68 115.20 1bve s LEU 33 Ca 0.62 1.50 -0.21 0.00 0.02 0.00 0.00 54.13 56.07 1bve s LEU 33 Cb -0.17 2.36 -0.10 0.00 0.02 0.00 0.00 46.19 48.29 1bve s LEU 33 CO 0.56 -0.23 -0.78 1.21 0.02 0.00 0.00 176.35 177.13 1bve n GLU 34 N 4.43 -0.32 -1.52 1.70 2.13 -1.13 -1.69 120.64 124.24 1bve n GLU 34 Ca -0.19 -0.08 -0.43 0.00 0.66 0.00 0.00 57.16 57.12 1bve n GLU 34 Cb 0.58 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 31.05 1bve n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1bve n GLU 35 N 1.13 0.89 -1.00 5.31 2.13 0.59 -4.15 120.64 125.54 1bve n GLU 35 Ca -0.00 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.14 1bve n GLU 35 Cb 0.64 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.68 1bve n GLU 35 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bve n MET 36 N 0.54 0.00 -4.03 5.31 0.00 -1.26 -4.94 117.12 112.74 1bve n MET 36 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.50 1bve n MET 36 Cb 0.36 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.43 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 -0.53 4.07 0.55 3.17 0.15 -1.26 -5.08 113.70 114.77 1bve s SER 37 Ca 0.00 -1.23 0.03 0.00 0.70 0.00 0.00 55.95 55.45 1bve s SER 37 Cb 0.00 -1.40 0.02 0.00 -1.71 0.00 0.00 66.02 62.94 1bve s SER 37 CO 0.00 -0.19 0.22 -0.76 1.20 0.00 0.00 173.24 173.72 1bve s LEU 38 N 1.23 2.42 0.00 3.45 1.02 -1.26 -4.78 118.68 120.77 1bve s LEU 38 Ca -0.06 -1.49 0.00 0.00 0.02 0.00 0.00 54.13 52.60 1bve s LEU 38 Cb -0.19 -0.92 0.00 0.00 0.02 0.00 0.00 46.19 45.10 1bve s LEU 38 CO -0.06 -1.05 1.57 -0.81 0.02 0.00 0.00 176.35 176.02 1bve n PRO 39 N -1.58 0.93 -2.84 1.29 -0.04 -1.26 -4.74 135.00 126.75 1bve n PRO 39 Ca -0.11 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.15 1bve n PRO 39 Cb 0.66 -1.03 0.01 0.00 -0.04 0.00 0.00 33.50 33.09 1bve n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bve n GLY 40 N 1.23 -0.51 2.95 0.55 0.00 -1.26 -4.91 105.19 103.24 1bve n GLY 40 Ca 0.00 0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.48 2.50 -3.42 1.61 5.12 -1.26 -5.03 116.66 112.70 1bve n ARG 41 Ca -0.13 -4.52 -0.11 0.00 -1.93 0.00 0.00 57.85 51.17 1bve n ARG 41 Cb 0.61 -2.36 -0.02 0.00 -1.16 0.00 0.00 32.46 29.53 1bve n ARG 41 CO 0.00 0.00 0.00 -2.67 -1.93 0.00 0.00 177.63 173.03 1bve n TRP 42 N 1.94 -1.24 -3.91 -1.55 4.27 -1.26 -4.26 117.44 111.42 1bve n TRP 42 Ca 0.23 -1.80 -0.12 0.00 -3.89 0.00 0.00 57.50 51.92 1bve n TRP 42 Cb 0.37 0.43 -0.14 0.00 -1.36 0.00 0.00 31.31 30.62 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 0.08 0.08 -2.67 1.02 -0.88 -4.91 119.74 109.85 1bve s LYS 43 Ca 0.22 -0.11 -0.30 0.00 0.02 0.00 0.00 55.97 55.80 1bve s LYS 43 Cb -0.01 -0.01 -0.06 0.00 -0.52 0.00 0.00 37.83 37.23 1bve s LYS 43 CO 0.16 -0.00 1.14 -1.25 -0.92 0.00 0.00 175.35 174.48 1bve s PRO 44 N -0.24 4.49 0.00 -1.68 0.04 -1.26 0.17 135.00 136.52 1bve s PRO 44 Ca -0.02 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1bve s PRO 44 Cb -0.02 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1bve s PRO 44 CO -0.00 -0.15 0.00 0.36 0.04 0.00 0.00 177.00 177.25 1bve n LYS 45 N 3.59 0.00 -3.73 4.56 2.85 -0.93 -4.89 118.16 119.62 1bve n LYS 45 Ca 0.07 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.20 1bve n LYS 45 Cb 0.47 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.75 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 -1.94 0.46 0.14 -1.58 -1.94 -1.26 -1.59 119.30 111.58 1bve s MET 46 Ca 0.00 0.61 -0.04 0.00 -1.71 0.00 0.00 55.69 54.55 1bve s MET 46 Cb 0.00 0.18 -0.05 0.00 2.01 0.00 0.00 34.83 36.97 1bve s MET 46 CO 0.00 -0.08 0.36 0.96 -0.01 0.00 0.00 175.02 176.25 1bve s ILE 47 N 0.45 5.19 -0.34 2.53 -4.36 -0.96 -4.87 121.20 118.85 1bve s ILE 47 Ca -0.02 -0.01 0.02 0.00 -0.26 0.00 0.00 60.65 60.38 1bve s ILE 47 Cb -0.04 -3.62 0.09 0.00 1.25 0.00 0.00 42.46 40.14 1bve s ILE 47 CO -0.02 0.05 0.05 -0.83 0.24 0.00 0.00 174.94 174.43 1bve s GLY 48 N -2.44 1.89 0.00 6.27 0.00 -1.26 -1.19 107.32 110.58 1bve s GLY 48 Ca 0.40 -2.36 0.00 0.00 0.00 0.00 0.00 44.72 42.77 1bve s GLY 48 CO 0.25 0.89 0.00 0.61 0.00 0.00 0.00 173.10 174.85 1bve n GLY 49 N 4.38 3.83 3.67 0.20 0.00 -1.12 -4.97 105.19 111.17 1bve n GLY 49 Ca -0.02 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 3.85 4.83 0.00 -0.61 1.01 -1.26 -4.04 121.20 124.98 1bve s ILE 50 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 60.65 62.41 1bve s ILE 50 Cb 0.00 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.28 1bve s ILE 50 CO 0.00 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.53 1bve n GLY 51 N 3.41 2.92 0.00 6.18 0.00 -1.26 -4.96 105.19 111.49 1bve n GLY 51 Ca 0.07 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.20 3.74 -0.02 0.00 -1.26 -5.14 105.19 101.32 1bve n GLY 52 Ca 0.00 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 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 3.38 0.53 1.61 0.08 -1.26 -2.81 117.98 116.51 1bve s PHE 53 Ca 0.00 0.30 0.09 0.00 0.12 0.00 0.00 56.93 57.43 1bve s PHE 53 Cb 0.00 -1.99 0.06 0.00 -0.57 0.00 0.00 43.02 40.52 1bve s PHE 53 CO 0.00 0.44 0.67 0.96 -0.10 0.00 0.00 175.22 177.19 1bve s ILE 54 N -0.35 2.31 -0.06 0.64 -4.36 -0.34 -4.88 121.20 114.17 1bve s ILE 54 Ca 0.10 -1.08 -0.02 0.00 -0.26 0.00 0.00 60.65 59.39 1bve s ILE 54 Cb -0.12 -2.39 -0.04 0.00 1.25 0.00 0.00 42.46 41.17 1bve s ILE 54 CO 0.01 0.00 0.04 -0.54 0.24 0.00 0.00 174.94 174.70 1bve s LYS 55 N -4.52 3.05 0.34 0.37 3.01 -1.26 -2.26 119.74 118.47 1bve s LYS 55 Ca 0.56 -0.41 -0.04 0.00 -1.01 0.00 0.00 55.97 55.07 1bve s LYS 55 Cb -0.06 -2.85 0.02 0.00 -1.01 0.00 0.00 37.83 33.92 1bve s LYS 55 CO 0.35 0.69 0.51 1.33 0.51 0.00 0.00 175.35 178.74 1bve n VAL 56 N 1.77 0.00 -3.77 3.17 0.24 -0.62 -3.65 118.33 115.48 1bve n VAL 56 Ca -0.17 -1.52 -0.30 0.00 -2.04 0.00 0.00 64.34 60.32 1bve n VAL 56 Cb 0.53 1.01 -0.13 0.00 -1.47 0.00 0.00 33.84 33.78 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 -2.61 1.33 -0.60 7.34 0.52 0.19 -2.19 118.95 122.93 1bve s ARG 57 Ca 0.25 -1.98 -0.30 0.00 -0.52 0.00 0.00 55.73 53.17 1bve s ARG 57 Cb -0.02 -2.49 -0.13 0.00 0.52 0.00 0.00 34.95 32.84 1bve s ARG 57 CO 0.18 -1.12 2.44 0.94 0.02 0.00 0.00 175.30 177.75 1bve n GLN 58 N 3.67 0.74 -3.32 3.54 7.27 0.13 -2.55 117.38 126.85 1bve n GLN 58 Ca 0.07 0.09 -0.38 0.00 0.07 0.00 0.00 57.00 56.84 1bve n GLN 58 Cb 0.35 -2.57 -0.06 0.00 2.41 0.00 0.00 30.24 30.37 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 9.81 3.71 -0.17 3.69 2.02 -0.43 -2.08 117.35 133.91 1bve s TYR 59 Ca 1.13 1.12 0.01 0.00 -0.37 0.00 0.00 57.07 58.96 1bve s TYR 59 Cb -0.70 -2.48 0.01 0.00 -0.40 0.00 0.00 41.96 38.40 1bve s TYR 59 CO 0.40 0.48 -0.19 -0.51 -1.57 0.00 0.00 175.55 174.16 1bve s ASP 60 N -0.62 3.22 0.00 2.29 1.11 -1.26 -1.60 116.67 119.81 1bve s ASP 60 Ca 0.28 -0.61 0.00 0.00 0.18 0.00 0.00 52.55 52.39 1bve s ASP 60 Cb -0.18 -1.49 0.00 0.00 1.07 0.00 0.00 42.92 42.32 1bve s ASP 60 CO 0.16 0.02 0.00 0.00 1.18 0.00 0.00 175.17 176.53 1bve n GLN 61 N 4.47 0.00 -3.86 8.23 6.02 -1.18 -4.99 117.38 126.07 1bve n GLN 61 Ca -0.20 0.05 -0.36 0.00 -0.01 0.00 0.00 57.00 56.47 1bve n GLN 61 Cb 0.51 -1.25 -0.13 0.00 1.02 0.00 0.00 30.24 30.38 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 -2.84 3.44 -0.95 5.09 -1.09 -0.44 -4.79 121.20 119.63 1bve s ILE 62 Ca 0.00 -0.79 -0.25 0.00 -2.23 0.00 0.00 60.65 57.38 1bve s ILE 62 Cb 0.00 -2.73 -0.10 0.00 -1.58 0.00 0.00 42.46 38.05 1bve s ILE 62 CO 0.00 0.18 2.08 -0.22 -1.23 0.00 0.00 174.94 175.75 1bve s LEU 63 N 1.43 2.98 -0.20 2.97 1.98 -1.26 -1.82 118.68 124.75 1bve s LEU 63 Ca 0.02 -0.71 -0.21 0.00 -2.89 0.00 0.00 54.13 50.34 1bve s LEU 63 Cb -0.16 -2.57 -0.02 0.00 0.66 0.00 0.00 46.19 44.10 1bve s LEU 63 CO -0.01 -3.31 0.65 -0.51 -1.89 0.00 0.00 176.35 171.28 1bve s ILE 64 N 12.17 5.00 -0.76 6.68 2.07 0.23 -4.58 121.20 142.02 1bve s ILE 64 Ca 0.77 1.22 -0.21 0.00 -1.41 0.00 0.00 60.65 61.02 1bve s ILE 64 Cb -0.07 -3.96 0.09 0.00 0.13 0.00 0.00 42.46 38.65 1bve s ILE 64 CO 0.06 0.09 1.01 -0.70 -1.91 0.00 0.00 174.94 173.49 1bve s GLU 65 N 2.02 3.29 -0.25 3.50 2.12 -1.16 -1.96 118.70 126.27 1bve s GLU 65 Ca 0.29 -1.22 -0.10 0.00 0.36 0.00 0.00 54.97 54.30 1bve s GLU 65 Cb -0.16 -4.51 -0.05 0.00 0.26 0.00 0.00 34.13 29.68 1bve s GLU 65 CO 0.10 -1.79 0.14 0.42 -0.54 0.00 0.00 175.26 173.60 1bve s ILE 66 N 3.47 5.09 -1.23 -3.70 1.01 -0.97 -2.68 121.20 122.19 1bve s ILE 66 Ca 0.26 0.09 -0.05 0.00 0.00 0.00 0.00 60.65 60.95 1bve s ILE 66 Cb -0.13 -3.39 0.01 0.00 0.01 0.00 0.00 42.46 38.96 1bve s ILE 66 CO 0.02 0.32 1.05 0.00 0.00 0.00 0.00 174.94 176.33 1bve n GLY 68 N -1.56 -0.51 2.87 0.00 0.00 -1.26 -4.95 105.19 99.78 1bve n GLY 68 Ca -0.12 0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.98 1.34 0.24 1.61 3.76 -0.71 -5.10 115.29 113.44 1bve s HIS 69 Ca 0.21 -0.68 -0.31 0.00 -0.15 0.00 0.00 55.06 54.13 1bve s HIS 69 Cb -0.10 -1.15 -0.13 0.00 1.11 0.00 0.00 32.58 32.31 1bve s HIS 69 CO 0.26 -0.50 1.50 1.63 -0.85 0.00 0.00 174.74 176.79 1bve n LYS 70 N 4.98 2.26 -3.20 1.40 5.02 -1.26 -2.30 118.16 125.05 1bve n LYS 70 Ca -0.11 0.81 -0.00 0.00 -2.02 0.00 0.00 58.31 56.98 1bve n LYS 70 Cb 0.50 -2.53 -0.02 0.00 -0.02 0.00 0.00 35.03 32.96 1bve n LYS 70 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bve s ALA 71 N 0.22 -1.97 0.53 7.82 0.00 -0.83 -4.87 121.76 122.65 1bve s ALA 71 Ca 0.70 1.10 -0.16 0.00 0.00 0.00 0.00 51.96 53.60 1bve s ALA 71 Cb -0.61 -2.24 -0.07 0.00 0.00 0.00 0.00 23.12 20.19 1bve s ALA 71 CO 0.46 -1.61 1.00 0.42 0.00 0.00 0.00 175.76 176.03 1bve s ILE 72 N 2.75 4.46 -0.04 0.00 -1.09 -1.26 -0.60 121.20 125.42 1bve s ILE 72 Ca 0.13 1.16 -0.30 0.00 -2.23 0.00 0.00 60.65 59.42 1bve s ILE 72 Cb -0.13 -3.69 0.11 0.00 -1.58 0.00 0.00 42.46 37.18 1bve s ILE 72 CO -0.24 -0.69 1.32 -0.83 -1.23 0.00 0.00 174.94 173.27 1bve s GLY 73 N -3.09 -0.28 -0.35 6.18 0.00 -0.76 -4.81 107.32 104.22 1bve s GLY 73 Ca 0.59 0.38 -0.25 0.00 0.00 0.00 0.00 44.72 45.45 1bve s GLY 73 CO 0.33 3.40 0.86 -1.59 0.00 0.00 0.00 173.10 176.10 1bve s THR 74 N -2.13 4.68 -0.39 0.90 2.01 -1.26 -1.33 115.64 118.13 1bve s THR 74 Ca 0.23 1.15 -0.11 0.00 0.31 0.00 0.00 61.69 63.27 1bve s THR 74 Cb 0.02 -4.26 0.03 0.00 0.01 0.00 0.00 72.50 68.31 1bve s THR 74 CO -0.03 -0.43 0.23 -0.69 -0.69 0.00 0.00 174.62 173.01 1bve s VAL 75 N 3.24 4.65 -0.33 3.82 1.01 -0.63 -2.66 120.40 129.51 1bve s VAL 75 Ca 0.35 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 61.17 1bve s VAL 75 Cb -0.13 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1bve s VAL 75 CO 0.16 -0.28 0.97 -0.76 0.00 0.00 0.00 175.10 175.19 1bve s LEU 76 N 1.56 3.98 -0.25 3.92 1.02 -0.52 -1.31 118.68 127.07 1bve s LEU 76 Ca 0.02 0.82 -0.14 0.00 0.02 0.00 0.00 54.13 54.85 1bve s LEU 76 Cb -0.20 -3.37 -0.04 0.00 0.02 0.00 0.00 46.19 42.61 1bve s LEU 76 CO 0.07 -0.83 0.35 -0.69 0.02 0.00 0.00 176.35 175.27 1bve s VAL 77 N 3.48 5.20 0.03 -1.59 1.01 -1.06 0.52 120.40 128.00 1bve s VAL 77 Ca 0.41 0.54 -0.01 0.00 0.00 0.00 0.00 61.98 62.92 1bve s VAL 77 Cb -0.12 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1bve s VAL 77 CO 0.16 0.20 0.07 0.61 0.00 0.00 0.00 175.10 176.14 1bve n GLY 78 N 4.49 1.89 1.68 4.51 0.00 -0.68 0.57 105.19 117.64 1bve n GLY 78 Ca -0.09 -1.03 -0.05 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.05 1.34 -2.92 1.61 -0.04 -1.24 0.22 135.00 133.93 1bve n PRO 79 Ca -0.01 -0.42 -0.38 0.00 -0.04 0.00 0.00 63.50 62.64 1bve n PRO 79 Cb 0.05 -1.32 -0.06 0.00 -0.04 0.00 0.00 33.50 32.13 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 0.01 4.32 -1.47 0.52 -1.32 -1.26 -4.93 115.64 111.50 1bve s THR 80 Ca 0.20 1.72 0.00 0.00 -1.21 0.00 0.00 61.69 62.40 1bve s THR 80 Cb 0.11 -4.10 0.00 0.00 -1.51 0.00 0.00 72.50 67.00 1bve s THR 80 CO -0.01 0.38 0.71 -0.81 -2.21 0.00 0.00 174.62 172.69 1bve n PRO 81 N 1.20 0.97 -3.44 7.08 -0.04 -1.26 -3.79 135.00 135.72 1bve n PRO 81 Ca -0.03 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.30 1bve n PRO 81 Cb 0.49 -1.26 -0.03 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.47 0.00 -0.77 0.52 1.01 -1.26 -5.02 120.40 113.42 1bve s VAL 82 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 1bve s VAL 82 Cb 0.00 -1.00 0.20 0.00 0.00 0.00 0.00 36.38 35.58 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 -2.49 6.46 -0.16 3.32 0.01 -1.25 -2.82 114.94 118.02 1bve s ASN 83 Ca -0.01 -2.63 -0.13 0.00 -0.71 0.00 0.00 52.86 49.38 1bve s ASN 83 Cb -0.01 -2.15 -0.05 0.00 0.41 0.00 0.00 41.25 39.45 1bve s ASN 83 CO -0.09 -0.57 0.27 -0.63 -1.51 0.00 0.00 177.10 174.58 1bve s ILE 84 N 0.26 5.32 -0.06 0.60 1.01 -0.34 -0.12 121.20 127.86 1bve s ILE 84 Ca 0.16 0.51 -0.20 0.00 0.00 0.00 0.00 60.65 61.11 1bve s ILE 84 Cb -0.14 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1bve s ILE 84 CO -0.07 0.41 0.58 -0.63 0.00 0.00 0.00 174.94 175.23 1bve s ILE 85 N 0.38 5.05 0.00 2.92 1.09 -1.11 -0.47 121.20 129.07 1bve s ILE 85 Ca 0.16 1.20 0.00 0.00 -1.10 0.00 0.00 60.65 60.90 1bve s ILE 85 Cb -0.13 -3.92 0.00 0.00 -1.06 0.00 0.00 42.46 37.35 1bve s ILE 85 CO 0.03 0.34 0.00 0.61 -0.10 0.00 0.00 174.94 175.82 1bve n GLY 86 N 2.91 3.69 0.16 6.18 0.00 0.18 -1.32 105.19 116.98 1bve n GLY 86 Ca -0.05 -1.73 -0.21 0.00 0.00 0.00 0.00 46.02 44.02 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 0.53 0.00 1.61 3.08 -0.74 -1.91 114.38 116.95 1bve h ARG 87 Ca 0.00 -0.71 0.00 0.00 0.07 0.00 0.00 59.98 59.34 1bve h ARG 87 Cb 0.00 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1bve h ARG 87 CO 0.00 1.31 0.25 -2.95 -1.07 0.00 0.00 179.97 177.51 1bve h ASN 88 N 0.09 0.00 0.00 7.04 -0.00 -1.82 -1.26 115.58 119.63 1bve h ASN 88 Ca -0.16 0.00 -0.32 0.00 -0.00 0.00 0.00 56.30 55.81 1bve h ASN 88 Cb 1.76 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 40.02 1bve h ASN 88 CO 0.20 0.00 -2.23 0.18 -0.00 0.00 0.00 177.43 175.59 1bve n LEU 89 N -2.76 1.78 0.28 6.14 7.99 -1.19 -4.07 117.00 125.17 1bve n LEU 89 Ca -0.02 -0.07 0.18 0.00 -0.01 0.00 0.00 56.01 56.09 1bve n LEU 89 Cb 0.30 -0.29 0.75 0.00 -0.11 0.00 0.00 43.42 44.07 1bve n LEU 89 CO 0.13 0.69 1.01 -0.07 -1.51 0.00 0.00 177.39 177.65 1bve h LEU 90 N 0.00 0.00 -0.95 2.23 3.38 -0.51 -1.23 115.31 118.23 1bve h LEU 90 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1bve h LEU 90 Cb 1.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.63 1bve h LEU 90 CO -0.04 0.00 -0.20 0.35 0.09 0.00 0.00 178.44 178.64 1bve n THR 91 N -3.05 0.00 -0.12 0.22 -2.24 -0.56 -0.61 114.28 107.91 1bve n THR 91 Ca 0.00 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.34 1bve n THR 91 Cb 0.27 0.79 -0.12 0.00 -2.10 0.00 0.00 70.33 69.17 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 0.01 0.65 0.14 -0.78 1.13 -0.53 -4.25 117.38 113.74 1bve n GLN 92 Ca 0.14 0.17 0.13 0.00 -1.94 0.00 0.00 57.00 55.49 1bve n GLN 92 Cb 0.42 -1.53 0.35 0.00 0.11 0.00 0.00 30.24 29.59 1bve n GLN 92 CO 0.00 0.00 0.00 -0.84 -1.44 0.00 0.00 177.06 174.78 1bve h ILE 93 N -0.08 0.00 -0.04 5.09 3.07 -1.53 -3.47 117.51 120.55 1bve h ILE 93 Ca -0.58 -0.60 0.00 0.00 1.55 0.00 0.00 64.86 65.23 1bve h ILE 93 Cb 1.88 1.60 0.00 0.00 -0.27 0.00 0.00 36.82 40.03 1bve h ILE 93 CO -0.11 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.60 1bve n GLY 94 N 1.23 1.25 3.76 0.16 0.00 -1.18 -4.97 105.19 105.44 1bve n GLY 94 Ca 0.05 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.04 3.51 -0.06 4.61 0.00 0.22 -5.02 121.76 122.98 1bve s ALA 95 Ca 0.00 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.20 1bve s ALA 95 Cb 0.00 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.66 1bve s ALA 95 CO 0.00 -0.61 -0.06 0.95 0.00 0.00 0.00 175.76 176.03 1bve s THR 96 N -0.92 0.70 -0.68 0.00 -4.23 -1.26 -4.79 115.64 104.47 1bve s THR 96 Ca 0.50 -0.20 -0.21 0.00 -1.18 0.00 0.00 61.69 60.60 1bve s THR 96 Cb -0.39 -0.71 0.09 0.00 1.34 0.00 0.00 72.50 72.83 1bve s THR 96 CO 0.50 0.27 0.90 -0.76 -0.54 0.00 0.00 174.62 174.99 1bve s LEU 97 N 0.97 4.84 -0.21 4.79 1.02 -1.26 -5.01 118.68 123.83 1bve s LEU 97 Ca -0.10 -1.31 -0.07 0.00 0.02 0.00 0.00 54.13 52.67 1bve s LEU 97 Cb -0.14 -2.37 -0.03 0.00 0.02 0.00 0.00 46.19 43.66 1bve s LEU 97 CO 0.00 -1.27 0.05 0.20 0.02 0.00 0.00 176.35 175.35 1bve s ASN 98 N 3.64 5.28 0.00 2.29 0.02 -1.26 -5.30 114.94 119.60 1bve s ASN 98 Ca 0.20 -0.08 0.00 0.00 -1.02 0.00 0.00 52.86 51.96 1bve s ASN 98 Cb -0.17 -1.92 0.00 0.00 0.02 0.00 0.00 41.25 39.18 1bve s ASN 98 CO 0.06 0.08 0.06 2.22 0.02 0.00 0.00 177.10 179.55