#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 -0.09 0.54 0.74 -1.26 -5.04 119.66 119.11 1bve s GLN 2 Ca 0.00 1.15 -0.03 0.00 0.05 0.00 0.00 55.36 56.52 1bve s GLN 2 Cb 0.00 -3.28 0.04 0.00 1.10 0.00 0.00 33.01 30.87 1bve s GLN 2 CO 0.00 0.52 0.07 0.08 -0.55 0.00 0.00 175.29 175.41 1bve s VAL 3 N -0.93 -0.10 0.08 1.34 1.01 -1.26 -4.98 120.40 115.55 1bve s VAL 3 Ca 0.36 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1bve s VAL 3 Cb -0.23 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 35.85 1bve s VAL 3 CO 0.26 0.01 0.00 0.35 0.00 0.00 0.00 175.10 175.72 1bve n THR 4 N 5.29 0.84 -1.60 3.92 -2.24 -1.26 -4.96 114.28 114.27 1bve n THR 4 Ca -0.04 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1bve n THR 4 Cb 0.50 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 1bve n THR 4 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1bve n LEU 5 N -3.23 0.00 -2.11 3.22 0.00 -1.26 -3.21 117.00 110.42 1bve n LEU 5 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 56.01 56.26 1bve n LEU 5 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 43.42 42.77 1bve n LEU 5 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 177.39 178.18 1bve n TRP 6 N -1.54 0.00 -1.84 1.96 7.02 -1.26 -4.63 117.44 117.15 1bve n TRP 6 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1bve n TRP 6 Cb 0.25 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.14 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 -0.83 0.00 -2.64 -0.99 6.02 -1.20 -5.12 117.38 112.62 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 1.25 4.50 -1.51 -1.09 0.52 -1.26 -4.92 118.95 116.44 1bve s ARG 8 Ca 0.00 1.49 -0.12 0.00 -0.52 0.00 0.00 55.73 56.57 1bve s ARG 8 Cb 0.00 -3.46 -0.00 0.00 0.52 0.00 0.00 34.95 32.00 1bve s ARG 8 CO 0.00 -0.16 2.50 -0.35 0.02 0.00 0.00 175.30 177.31 1bve n PRO 9 N 4.20 3.25 -3.35 3.54 -0.04 -1.26 -4.95 135.00 136.38 1bve n PRO 9 Ca 0.07 -2.51 -0.35 0.00 -0.04 0.00 0.00 63.50 60.67 1bve n PRO 9 Cb 0.50 -3.08 -0.06 0.00 -0.04 0.00 0.00 33.50 30.82 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 1.24 4.33 0.16 1.53 1.43 -1.26 -2.23 118.68 123.88 1bve s LEU 10 Ca 0.55 1.08 -0.12 0.00 -1.03 0.00 0.00 54.13 54.61 1bve s LEU 10 Cb 0.15 -3.30 0.01 0.00 0.03 0.00 0.00 46.19 43.09 1bve s LEU 10 CO -0.08 0.09 0.36 0.54 0.23 0.00 0.00 176.35 177.50 1bve s VAL 11 N -1.48 0.06 -0.00 -1.59 0.11 -0.67 -4.93 120.40 111.89 1bve s VAL 11 Ca 0.38 -1.11 -0.23 0.00 -2.93 0.00 0.00 61.98 58.09 1bve s VAL 11 Cb -0.15 -1.66 -0.05 0.00 -1.53 0.00 0.00 36.38 33.00 1bve s VAL 11 CO 0.19 -0.28 0.69 -0.89 -3.33 0.00 0.00 175.10 171.48 1bve s THR 12 N -3.91 4.88 0.21 5.04 2.01 -1.26 -0.88 115.64 121.73 1bve s THR 12 Ca 0.12 1.45 0.10 0.00 0.31 0.00 0.00 61.69 63.68 1bve s THR 12 Cb 0.02 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 1bve s THR 12 CO -0.03 0.35 -0.20 0.27 -0.69 0.00 0.00 174.62 174.31 1bve s ILE 13 N 0.16 2.19 -0.36 1.82 -4.36 -0.64 -3.35 121.20 116.67 1bve s ILE 13 Ca 0.36 -2.13 0.02 0.00 -0.26 0.00 0.00 60.65 58.63 1bve s ILE 13 Cb -0.19 -2.10 0.10 0.00 1.25 0.00 0.00 42.46 41.52 1bve s ILE 13 CO 0.20 -0.30 0.09 -0.75 0.24 0.00 0.00 174.94 174.42 1bve s LYS 14 N -3.04 1.67 0.03 0.37 2.20 -0.87 -2.65 119.74 117.46 1bve s LYS 14 Ca 0.22 -1.83 0.05 0.00 -0.36 0.00 0.00 55.97 54.05 1bve s LYS 14 Cb -0.06 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 1bve s LYS 14 CO 0.10 -0.96 -0.09 0.42 -0.36 0.00 0.00 175.35 174.46 1bve s ILE 15 N 0.98 3.44 -1.83 5.43 1.01 -0.93 -1.64 121.20 127.65 1bve s ILE 15 Ca 0.09 -0.96 -0.21 0.00 0.00 0.00 0.00 60.65 59.57 1bve s ILE 15 Cb -0.20 -2.52 0.21 0.00 0.01 0.00 0.00 42.46 39.96 1bve s ILE 15 CO -0.07 0.31 0.53 0.61 0.00 0.00 0.00 174.94 176.32 1bve n GLY 16 N 1.34 -0.36 2.98 6.18 0.00 -1.26 0.68 105.19 114.74 1bve n GLY 16 Ca -0.15 0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.23 -0.18 3.38 -0.02 0.00 -1.26 -4.92 105.19 100.96 1bve n GLY 17 Ca 0.07 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.56 1.70 -0.03 1.61 -1.52 0.21 -5.15 119.66 110.93 1bve s GLN 18 Ca 0.24 -1.79 -0.01 0.00 -1.95 0.00 0.00 55.36 51.85 1bve s GLN 18 Cb -0.11 0.37 0.03 0.00 -0.22 0.00 0.00 33.01 33.09 1bve s GLN 18 CO 0.55 -0.66 0.05 -0.51 -0.25 0.00 0.00 175.29 174.47 1bve s LEU 19 N -3.25 0.48 0.31 2.90 1.43 -1.26 -2.20 118.68 117.09 1bve s LEU 19 Ca 0.35 0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.53 1bve s LEU 19 Cb 0.02 -0.11 -0.02 0.00 0.03 0.00 0.00 46.19 46.11 1bve s LEU 19 CO 0.20 -0.21 0.33 -0.54 0.23 0.00 0.00 176.35 176.37 1bve s LYS 20 N 1.77 1.71 0.90 1.70 -0.14 -1.08 -4.98 119.74 119.61 1bve s LYS 20 Ca -0.00 -1.83 -0.15 0.00 -1.36 0.00 0.00 55.97 52.62 1bve s LYS 20 Cb -0.12 0.36 0.21 0.00 -1.68 0.00 0.00 37.83 36.60 1bve s LYS 20 CO -0.03 -0.65 1.22 0.39 -0.76 0.00 0.00 175.35 175.51 1bve n GLU 21 N -0.53 -1.22 -3.15 1.68 4.71 -1.26 -1.62 120.64 119.25 1bve n GLU 21 Ca 0.04 -1.88 0.04 0.00 -0.01 0.00 0.00 57.16 55.35 1bve n GLU 21 Cb 0.63 -1.26 -0.01 0.00 -1.01 0.00 0.00 31.44 29.79 1bve n GLU 21 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1bve s ALA 22 N -3.96 -2.34 -0.95 0.62 0.00 -0.06 -4.41 121.76 110.67 1bve s ALA 22 Ca 0.69 1.79 -0.19 0.00 0.00 0.00 0.00 51.96 54.25 1bve s ALA 22 Cb -0.02 -2.21 0.13 0.00 0.00 0.00 0.00 23.12 21.03 1bve s ALA 22 CO 0.48 -1.36 1.16 -1.17 0.00 0.00 0.00 175.76 174.87 1bve s LEU 23 N 2.86 5.01 -0.95 0.00 2.96 0.22 -1.67 118.68 127.13 1bve s LEU 23 Ca 0.19 -2.09 -0.25 0.00 -0.22 0.00 0.00 54.13 51.77 1bve s LEU 23 Cb -0.14 -2.40 -0.24 0.00 0.50 0.00 0.00 46.19 43.91 1bve s LEU 23 CO -0.21 -1.05 2.52 0.18 -1.32 0.00 0.00 176.35 176.47 1bve n LEU 24 N 6.55 0.07 -4.21 -0.68 4.77 -0.95 -2.99 117.00 119.56 1bve n LEU 24 Ca 0.25 -0.13 -0.41 0.00 -0.03 0.00 0.00 56.01 55.69 1bve n LEU 24 Cb 0.49 -0.91 -0.05 0.00 -2.33 0.00 0.00 43.42 40.62 1bve n LEU 24 CO 0.52 -1.05 0.32 -0.62 -1.33 0.00 0.00 177.39 175.22 1bve s ASP 25 N 7.03 6.15 0.64 -1.43 -1.08 0.46 -4.74 116.67 123.71 1bve s ASP 25 Ca 1.30 -3.07 0.42 0.00 -0.52 0.00 0.00 52.55 50.69 1bve s ASP 25 Cb -1.02 -2.03 2.21 0.00 -1.46 0.00 0.00 42.92 40.62 1bve s ASP 25 CO 0.48 -0.39 2.29 0.74 0.52 0.00 0.00 175.17 178.81 1bve h THR 26 N 4.67 0.02 -0.23 1.71 2.02 -1.87 -2.32 112.91 116.90 1bve h THR 26 Ca 0.08 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 67.17 1bve h THR 26 Cb 0.95 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 1bve h THR 26 CO 0.79 0.00 0.10 1.23 0.37 0.00 0.00 175.52 178.01 1bve h GLY 27 N 0.43 0.30 -1.30 2.16 0.00 -1.91 -3.40 103.07 99.35 1bve h GLY 27 Ca -0.00 -0.07 -0.51 0.00 0.00 0.00 0.00 47.33 46.75 1bve h GLY 27 CO 0.00 0.06 0.35 0.00 0.00 0.00 0.00 176.54 176.95 1bve s ALA 28 N -6.17 2.50 -0.89 3.60 0.00 -0.87 -4.96 121.76 114.96 1bve s ALA 28 Ca -0.13 0.10 0.22 0.00 0.00 0.00 0.00 51.96 52.15 1bve s ALA 28 Cb 0.09 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 1bve s ALA 28 CO 0.69 -1.44 1.02 -0.25 0.00 0.00 0.00 175.76 175.79 1bve n ASP 29 N -3.28 0.77 -0.58 0.00 9.92 -1.26 -2.65 116.55 119.46 1bve n ASP 29 Ca 0.08 -0.64 0.00 0.00 -0.53 0.00 0.00 54.79 53.69 1bve n ASP 29 Cb 0.54 0.84 0.00 0.00 -0.64 0.00 0.00 41.12 41.85 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 -1.61 0.10 -4.25 -2.24 2.03 -1.26 -2.18 116.55 107.14 1bve n ASP 30 Ca 0.04 -0.56 -0.43 0.00 0.52 0.00 0.00 54.79 54.36 1bve n ASP 30 Cb 0.36 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.72 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 -1.48 5.07 -0.07 5.18 2.01 -1.15 0.42 115.64 125.61 1bve s THR 31 Ca 0.00 -2.79 -0.30 0.00 0.31 0.00 0.00 61.69 58.91 1bve s THR 31 Cb 0.00 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 1bve s THR 31 CO 0.00 -1.01 1.33 0.54 -0.69 0.00 0.00 174.62 174.80 1bve s VAL 32 N -0.14 4.02 -0.05 3.82 0.11 -0.32 0.10 120.40 127.94 1bve s VAL 32 Ca 0.20 1.32 0.02 0.00 -2.93 0.00 0.00 61.98 60.59 1bve s VAL 32 Cb -0.13 -3.85 0.01 0.00 -1.53 0.00 0.00 36.38 30.89 1bve s VAL 32 CO -0.08 -0.05 -0.09 -0.76 -3.33 0.00 0.00 175.10 170.79 1bve s LEU 33 N 2.88 1.61 0.66 2.54 1.02 -0.95 0.49 118.68 126.93 1bve s LEU 33 Ca 0.60 -0.22 -0.18 0.00 0.02 0.00 0.00 54.13 54.36 1bve s LEU 33 Cb -0.27 -0.64 -0.13 0.00 0.02 0.00 0.00 46.19 45.17 1bve s LEU 33 CO 0.22 0.02 -0.18 -1.84 0.02 0.00 0.00 176.35 174.60 1bve n GLU 34 N 3.69 0.06 -1.55 1.70 0.28 -1.14 -1.88 120.64 121.79 1bve n GLU 34 Ca -0.22 0.03 -0.42 0.00 -0.16 0.00 0.00 57.16 56.39 1bve n GLU 34 Cb 0.52 -1.14 0.01 0.00 1.43 0.00 0.00 31.44 32.26 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 1.38 1.04 -3.93 3.44 2.13 0.28 -4.42 120.64 120.56 1bve n GLU 35 Ca 0.06 0.37 -0.01 0.00 0.66 0.00 0.00 57.16 58.24 1bve n GLU 35 Cb 0.50 -1.84 0.02 0.00 0.27 0.00 0.00 31.44 30.38 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 0.98 -0.44 5.31 0.23 -1.26 -4.97 119.30 117.28 1bve s MET 36 Ca 0.64 -0.63 -0.26 0.00 -1.03 0.00 0.00 55.69 54.40 1bve s MET 36 Cb -0.58 0.27 0.02 0.00 -1.53 0.00 0.00 34.83 33.02 1bve s MET 36 CO 0.57 -0.46 0.96 0.45 -2.03 0.00 0.00 175.02 174.51 1bve s SER 37 N -3.58 6.56 -0.39 -1.18 0.15 -1.26 -4.95 113.70 109.06 1bve s SER 37 Ca 0.25 0.29 0.05 0.00 0.70 0.00 0.00 55.95 57.24 1bve s SER 37 Cb -0.02 -2.47 0.17 0.00 -1.71 0.00 0.00 66.02 61.99 1bve s SER 37 CO 0.03 -1.04 0.50 -0.22 1.20 0.00 0.00 173.24 173.72 1bve s LEU 38 N 3.80 -0.80 0.66 3.45 2.96 -1.26 -4.70 118.68 122.80 1bve s LEU 38 Ca 0.39 -1.16 -0.11 0.00 -0.22 0.00 0.00 54.13 53.03 1bve s LEU 38 Cb -0.10 1.26 -0.01 0.00 0.50 0.00 0.00 46.19 47.84 1bve s LEU 38 CO 0.25 -0.22 1.06 -2.16 -1.32 0.00 0.00 176.35 173.96 1bve s PRO 39 N 1.66 3.22 0.00 0.98 0.04 -1.26 -4.85 135.00 134.79 1bve s PRO 39 Ca 0.16 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1bve s PRO 39 Cb -0.10 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1bve s PRO 39 CO -0.06 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.59 1bve n GLY 40 N -2.87 0.50 1.52 0.56 0.00 -1.26 -5.01 105.19 98.64 1bve n GLY 40 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.09 1bve n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bve n ARG 41 N 0.00 -3.97 -3.62 1.61 1.74 -1.26 -4.21 116.66 106.95 1bve n ARG 41 Ca 0.00 3.09 -0.11 0.00 -0.77 0.00 0.00 57.85 60.06 1bve n ARG 41 Cb 0.00 -3.90 -0.05 0.00 -1.02 0.00 0.00 32.46 27.49 1bve n ARG 41 CO 0.00 0.00 0.00 1.67 -1.52 0.00 0.00 177.63 177.78 1bve s TRP 42 N -5.32 -0.26 -0.03 -1.55 1.48 -1.26 -4.25 118.94 107.75 1bve s TRP 42 Ca 0.00 0.04 0.07 0.00 -1.06 0.00 0.00 56.10 55.15 1bve s TRP 42 Cb 0.00 0.28 -0.02 0.00 -1.16 0.00 0.00 33.47 32.57 1bve s TRP 42 CO 0.00 -0.68 -0.25 0.15 -4.06 0.00 0.00 176.95 172.11 1bve s LYS 43 N -3.39 2.19 0.15 3.25 -0.14 -1.08 -4.81 119.74 115.90 1bve s LYS 43 Ca 0.00 -0.89 -0.30 0.00 -1.36 0.00 0.00 55.97 53.42 1bve s LYS 43 Cb 0.01 -2.01 -0.07 0.00 -1.68 0.00 0.00 37.83 34.07 1bve s LYS 43 CO -0.09 0.48 1.12 -1.25 -0.76 0.00 0.00 175.35 174.85 1bve s PRO 44 N -0.43 4.55 0.14 -1.68 0.04 -1.26 -1.28 135.00 135.08 1bve s PRO 44 Ca 0.05 1.73 -0.10 0.00 0.04 0.00 0.00 61.00 62.73 1bve s PRO 44 Cb -0.11 -3.29 -0.00 0.00 0.04 0.00 0.00 34.50 31.13 1bve s PRO 44 CO 0.01 -0.01 0.28 0.21 0.04 0.00 0.00 177.00 177.52 1bve s LYS 45 N -0.03 1.08 -0.15 4.56 2.20 -0.25 -4.96 119.74 122.19 1bve s LYS 45 Ca 0.52 -1.07 -0.02 0.00 -0.36 0.00 0.00 55.97 55.03 1bve s LYS 45 Cb -0.29 0.38 0.05 0.00 -1.51 0.00 0.00 37.83 36.45 1bve s LYS 45 CO 0.34 -0.39 0.01 1.41 -0.36 0.00 0.00 175.35 176.36 1bve s MET 46 N -3.92 0.75 0.13 4.03 -2.45 -1.26 -1.48 119.30 115.09 1bve s MET 46 Ca 0.13 -0.25 -0.16 0.00 -1.25 0.00 0.00 55.69 54.15 1bve s MET 46 Cb 0.03 -1.72 -0.07 0.00 1.25 0.00 0.00 34.83 34.33 1bve s MET 46 CO -0.04 -0.50 0.57 0.96 1.05 0.00 0.00 175.02 177.06 1bve s ILE 47 N 1.87 4.80 -0.39 10.11 -4.36 -0.93 -4.91 121.20 127.39 1bve s ILE 47 Ca 0.01 0.99 0.02 0.00 -0.26 0.00 0.00 60.65 61.41 1bve s ILE 47 Cb -0.15 -3.79 0.11 0.00 1.25 0.00 0.00 42.46 39.87 1bve s ILE 47 CO -0.07 0.35 0.13 -0.83 0.24 0.00 0.00 174.94 174.75 1bve s GLY 48 N -1.51 2.04 0.00 6.27 0.00 -1.26 -1.66 107.32 111.20 1bve s GLY 48 Ca 0.35 -2.66 0.00 0.00 0.00 0.00 0.00 44.72 42.41 1bve s GLY 48 CO 0.19 0.98 0.00 0.61 0.00 0.00 0.00 173.10 174.88 1bve n GLY 49 N 4.16 4.25 3.72 0.20 0.00 -0.98 -4.98 105.19 111.56 1bve n GLY 49 Ca 0.03 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 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 3.81 4.55 0.00 -0.61 1.01 -1.26 -3.90 121.20 124.81 1bve s ILE 50 Ca 0.00 1.96 0.00 0.00 0.00 0.00 0.00 60.65 62.61 1bve s ILE 50 Cb 0.00 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.22 1bve s ILE 50 CO 0.00 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.77 1bve n GLY 51 N 2.63 1.66 0.00 6.18 0.00 -1.26 -4.86 105.19 109.54 1bve n GLY 51 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.92 3.55 -0.02 0.00 -1.25 -5.14 105.19 101.41 1bve n GLY 52 Ca 0.00 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 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 2.90 -0.07 1.61 0.40 -1.26 -2.31 117.98 116.26 1bve s PHE 53 Ca 0.00 -0.05 0.05 0.00 -0.60 0.00 0.00 56.93 56.33 1bve s PHE 53 Cb 0.00 -1.72 -0.01 0.00 0.51 0.00 0.00 43.02 41.80 1bve s PHE 53 CO 0.00 0.26 -0.24 0.96 0.70 0.00 0.00 175.22 176.90 1bve s ILE 54 N -0.67 2.10 0.13 0.64 -4.36 -0.66 -4.92 121.20 113.46 1bve s ILE 54 Ca 0.10 -1.04 -0.30 0.00 -0.26 0.00 0.00 60.65 59.15 1bve s ILE 54 Cb -0.11 -1.77 -0.07 0.00 1.25 0.00 0.00 42.46 41.76 1bve s ILE 54 CO 0.02 0.57 1.14 -0.54 0.24 0.00 0.00 174.94 176.37 1bve s LYS 55 N -0.05 4.52 0.17 0.37 1.02 -1.26 -2.18 119.74 122.32 1bve s LYS 55 Ca -0.07 1.74 -0.06 0.00 0.02 0.00 0.00 55.97 57.61 1bve s LYS 55 Cb -0.15 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 1bve s LYS 55 CO 0.05 -0.07 0.22 0.14 -0.92 0.00 0.00 175.35 174.76 1bve s VAL 56 N 0.30 0.05 0.46 3.17 -7.23 -0.55 -3.69 120.40 112.92 1bve s VAL 56 Ca 0.53 -1.65 0.07 0.00 -1.81 0.00 0.00 61.98 59.12 1bve s VAL 56 Cb -0.29 -2.07 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 1bve s VAL 56 CO 0.33 -0.25 0.28 -0.13 -0.31 0.00 0.00 175.10 175.02 1bve s ARG 57 N -4.03 2.31 -0.27 4.82 3.00 -0.93 -1.08 118.95 122.76 1bve s ARG 57 Ca 0.24 -1.84 -0.02 0.00 0.00 0.00 0.00 55.73 54.10 1bve s ARG 57 Cb 0.05 -2.09 0.09 0.00 0.00 0.00 0.00 34.95 33.00 1bve s ARG 57 CO 0.04 -0.29 0.09 -1.14 0.00 0.00 0.00 175.30 174.00 1bve s GLN 58 N -4.06 0.54 -0.21 3.54 0.74 -0.41 -1.46 119.66 118.33 1bve s GLN 58 Ca 0.39 -0.73 -0.19 0.00 0.05 0.00 0.00 55.36 54.88 1bve s GLN 58 Cb 0.00 -1.79 -0.03 0.00 1.10 0.00 0.00 33.01 32.29 1bve s GLN 58 CO 0.23 -0.90 0.54 0.71 -0.55 0.00 0.00 175.29 175.32 1bve s TYR 59 N 1.82 3.35 0.05 1.67 2.02 0.40 -2.64 117.35 124.02 1bve s TYR 59 Ca 0.07 0.77 -0.07 0.00 -0.37 0.00 0.00 57.07 57.47 1bve s TYR 59 Cb -0.17 -2.71 -0.05 0.00 -0.40 0.00 0.00 41.96 38.63 1bve s TYR 59 CO -0.24 -0.16 0.32 -0.51 -1.57 0.00 0.00 175.55 173.39 1bve s ASP 60 N 1.25 6.53 -0.18 2.29 1.11 -1.26 -0.62 116.67 125.79 1bve s ASP 60 Ca 0.24 0.62 -0.01 0.00 0.18 0.00 0.00 52.55 53.58 1bve s ASP 60 Cb -0.15 -2.11 -0.01 0.00 1.07 0.00 0.00 42.92 41.72 1bve s ASP 60 CO 0.09 0.20 0.17 0.00 1.18 0.00 0.00 175.17 176.81 1bve n GLN 61 N 0.86 -0.37 -4.03 8.23 3.00 -0.47 -4.95 117.38 119.66 1bve n GLN 61 Ca -0.09 0.41 -0.30 0.00 -0.01 0.00 0.00 57.00 57.01 1bve n GLN 61 Cb 0.52 -2.37 -0.16 0.00 0.00 0.00 0.00 30.24 28.23 1bve n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1bve s ILE 62 N -3.04 1.61 -0.76 5.09 -1.09 -0.34 -4.82 121.20 117.85 1bve s ILE 62 Ca 0.05 -0.66 -0.25 0.00 -2.23 0.00 0.00 60.65 57.55 1bve s ILE 62 Cb -0.01 -1.51 -0.03 0.00 -1.58 0.00 0.00 42.46 39.33 1bve s ILE 62 CO 0.15 0.46 1.90 -0.22 -1.23 0.00 0.00 174.94 176.00 1bve s LEU 63 N 1.47 3.23 -0.28 2.97 1.98 -1.26 -1.77 118.68 125.01 1bve s LEU 63 Ca 0.05 -0.19 -0.14 0.00 -2.89 0.00 0.00 54.13 50.95 1bve s LEU 63 Cb -0.13 -2.55 -0.03 0.00 0.66 0.00 0.00 46.19 44.14 1bve s LEU 63 CO -0.11 -2.56 0.34 -0.51 -1.89 0.00 0.00 176.35 171.62 1bve s ILE 64 N 9.57 5.19 -0.58 6.68 2.07 -0.53 -4.31 121.20 139.29 1bve s ILE 64 Ca 0.68 0.42 -0.22 0.00 -1.41 0.00 0.00 60.65 60.12 1bve s ILE 64 Cb -0.09 -3.69 0.06 0.00 0.13 0.00 0.00 42.46 38.86 1bve s ILE 64 CO 0.09 0.13 0.84 -0.70 -1.91 0.00 0.00 174.94 173.40 1bve s GLU 65 N 2.02 3.18 -0.33 3.50 2.12 -0.65 -2.19 118.70 126.34 1bve s GLU 65 Ca 0.13 -0.70 -0.15 0.00 0.36 0.00 0.00 54.97 54.61 1bve s GLU 65 Cb -0.16 -4.14 -0.02 0.00 0.26 0.00 0.00 34.13 30.08 1bve s GLU 65 CO 0.10 -1.53 0.37 0.42 -0.54 0.00 0.00 175.26 174.09 1bve s ILE 66 N 3.52 5.16 -1.40 -3.70 1.09 -0.64 -2.04 121.20 123.19 1bve s ILE 66 Ca 0.22 0.16 0.00 0.00 -1.10 0.00 0.00 60.65 59.93 1bve s ILE 66 Cb -0.17 -3.80 0.00 0.00 -1.06 0.00 0.00 42.46 37.43 1bve s ILE 66 CO 0.13 -0.05 0.00 0.00 -0.10 0.00 0.00 174.94 174.92 1bve n GLY 68 N -0.34 0.83 3.66 0.00 0.00 -1.26 -5.07 105.19 103.01 1bve n GLY 68 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.02 3.25 0.06 1.61 4.02 -0.50 -5.07 115.29 116.64 1bve s HIS 69 Ca 0.00 0.12 -0.30 0.00 1.02 0.00 0.00 55.06 55.90 1bve s HIS 69 Cb 0.00 -1.97 -0.05 0.00 -1.02 0.00 0.00 32.58 29.53 1bve s HIS 69 CO 0.00 0.29 1.12 0.15 1.02 0.00 0.00 174.74 177.32 1bve s LYS 70 N -0.13 4.50 -0.31 1.40 3.01 -1.26 -1.62 119.74 125.32 1bve s LYS 70 Ca 0.06 1.66 0.02 0.00 -1.01 0.00 0.00 55.97 56.70 1bve s LYS 70 Cb -0.12 -3.37 0.15 0.00 -1.01 0.00 0.00 37.83 33.48 1bve s LYS 70 CO 0.01 -0.14 0.37 0.00 0.51 0.00 0.00 175.35 176.11 1bve s ALA 71 N 0.83 -0.87 0.18 5.17 0.00 -0.93 -4.86 121.76 121.29 1bve s ALA 71 Ca 0.55 -0.17 -0.30 0.00 0.00 0.00 0.00 51.96 52.04 1bve s ALA 71 Cb -0.27 -2.01 -0.07 0.00 0.00 0.00 0.00 23.12 20.77 1bve s ALA 71 CO 0.30 -1.83 0.98 0.42 0.00 0.00 0.00 175.76 175.63 1bve s ILE 72 N 2.26 4.19 0.00 0.00 1.01 -1.26 -1.45 121.20 125.95 1bve s ILE 72 Ca 0.11 1.98 0.00 0.00 0.00 0.00 0.00 60.65 62.74 1bve s ILE 72 Cb -0.13 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.08 1bve s ILE 72 CO -0.26 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.68 1bve n GLY 73 N 1.87 2.42 3.37 6.18 0.00 -0.73 -4.76 105.19 113.53 1bve n GLY 73 Ca 0.01 -1.02 -0.45 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.87 5.06 0.66 2.61 2.01 -1.26 -1.20 115.64 120.65 1bve s THR 74 Ca 0.00 -1.11 -0.01 0.00 0.31 0.00 0.00 61.69 60.88 1bve s THR 74 Cb 0.00 -4.32 0.09 0.00 0.01 0.00 0.00 72.50 68.27 1bve s THR 74 CO 0.00 -0.86 0.92 -0.69 -0.69 0.00 0.00 174.62 173.30 1bve s VAL 75 N 2.06 2.35 0.18 3.82 1.01 0.21 -2.92 120.40 127.11 1bve s VAL 75 Ca 0.07 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1bve s VAL 75 Cb -0.25 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1bve s VAL 75 CO 0.06 0.00 -0.03 -0.76 0.00 0.00 0.00 175.10 174.37 1bve s LEU 76 N -5.02 2.29 -0.31 3.92 1.02 0.28 -0.45 118.68 120.40 1bve s LEU 76 Ca 0.62 -1.13 -0.01 0.00 0.02 0.00 0.00 54.13 53.63 1bve s LEU 76 Cb -0.08 -0.22 0.13 0.00 0.02 0.00 0.00 46.19 46.04 1bve s LEU 76 CO 0.42 -0.47 0.26 -0.69 0.02 0.00 0.00 176.35 175.89 1bve s VAL 77 N -3.47 -0.25 0.00 -1.59 1.01 -0.53 -2.24 120.40 113.33 1bve s VAL 77 Ca 0.23 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1bve s VAL 77 Cb 0.05 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.48 1bve s VAL 77 CO 0.04 -0.61 0.00 0.61 0.00 0.00 0.00 175.10 175.14 1bve n GLY 78 N 4.97 4.09 1.93 4.51 0.00 -0.79 -2.19 105.19 117.71 1bve n GLY 78 Ca 0.01 -1.65 -0.11 0.00 0.00 0.00 0.00 46.02 44.27 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 1.80 -3.37 1.61 -0.04 -1.24 0.10 135.00 133.86 1bve n PRO 79 Ca 0.00 -0.93 -0.38 0.00 -0.04 0.00 0.00 63.50 62.15 1bve n PRO 79 Cb 0.00 -1.77 -0.06 0.00 -0.04 0.00 0.00 33.50 31.63 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 0.31 4.87 -1.05 0.52 -1.32 -1.26 -4.96 115.64 112.74 1bve s THR 80 Ca 0.49 1.05 0.00 0.00 -1.21 0.00 0.00 61.69 62.03 1bve s THR 80 Cb 0.25 -3.82 0.00 0.00 -1.51 0.00 0.00 72.50 67.42 1bve s THR 80 CO -0.02 0.56 0.51 -0.81 -2.21 0.00 0.00 174.62 172.65 1bve n PRO 81 N 1.79 0.97 -3.85 7.08 -0.04 -1.26 -3.75 135.00 135.93 1bve n PRO 81 Ca -0.12 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.27 1bve n PRO 81 Cb 0.51 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.05 0.00 -0.92 0.52 1.01 -1.26 -5.03 120.40 113.67 1bve s VAL 82 Ca 0.00 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 1bve s VAL 82 Cb 0.00 -2.15 0.23 0.00 0.00 0.00 0.00 36.38 34.46 1bve s VAL 82 CO 0.00 0.00 0.85 0.20 0.00 0.00 0.00 175.10 176.15 1bve s ASN 83 N -2.95 6.52 -0.33 3.32 0.01 -1.26 -2.90 114.94 117.35 1bve s ASN 83 Ca 0.12 -3.35 -0.29 0.00 -0.71 0.00 0.00 52.86 48.63 1bve s ASN 83 Cb -0.06 -2.07 0.00 0.00 0.41 0.00 0.00 41.25 39.54 1bve s ASN 83 CO 0.08 -0.33 1.32 -0.63 -1.51 0.00 0.00 177.10 176.03 1bve s ILE 84 N -0.83 4.08 -0.77 0.60 -1.09 0.18 -0.61 121.20 122.76 1bve s ILE 84 Ca 0.25 1.19 -0.18 0.00 -2.23 0.00 0.00 60.65 59.68 1bve s ILE 84 Cb -0.11 -4.18 0.14 0.00 -1.58 0.00 0.00 42.46 36.73 1bve s ILE 84 CO -0.09 -0.56 0.88 -0.63 -1.23 0.00 0.00 174.94 173.31 1bve s ILE 85 N 4.64 4.96 0.23 2.92 1.09 -1.16 -1.17 121.20 132.71 1bve s ILE 85 Ca 0.57 -1.53 -0.04 0.00 -1.10 0.00 0.00 60.65 58.55 1bve s ILE 85 Cb -0.16 -4.60 0.05 0.00 -1.06 0.00 0.00 42.46 36.70 1bve s ILE 85 CO 0.26 -1.25 0.30 0.61 -0.10 0.00 0.00 174.94 174.76 1bve n GLY 86 N 5.03 -1.37 0.36 6.18 0.00 0.17 -0.40 105.19 115.16 1bve n GLY 86 Ca 0.08 -1.65 0.08 0.00 0.00 0.00 0.00 46.02 44.53 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 0.67 -0.99 1.61 3.08 -1.60 -1.48 114.38 115.66 1bve h ARG 87 Ca -0.10 -0.04 0.34 0.00 0.07 0.00 0.00 59.98 60.25 1bve h ARG 87 Cb 0.27 -0.15 -0.16 0.00 0.08 0.00 0.00 29.97 30.01 1bve h ARG 87 CO 0.07 0.44 0.53 -2.95 -1.07 0.00 0.00 179.97 176.99 1bve h ASN 88 N 0.69 0.41 0.27 7.04 -1.07 -1.72 0.59 115.58 121.79 1bve h ASN 88 Ca 0.33 0.21 -0.33 0.00 0.07 0.00 0.00 56.30 56.59 1bve h ASN 88 Cb 0.39 0.19 -0.06 0.00 -2.07 0.00 0.00 38.32 36.78 1bve h ASN 88 CO -0.12 -0.23 -2.01 0.18 0.07 0.00 0.00 177.43 175.33 1bve n LEU 89 N -5.13 0.50 0.00 6.14 7.99 -0.63 -4.02 117.00 121.85 1bve n LEU 89 Ca 0.33 0.23 0.04 0.00 -0.01 0.00 0.00 56.01 56.60 1bve n LEU 89 Cb 1.04 0.31 0.22 0.00 -0.11 0.00 0.00 43.42 44.88 1bve n LEU 89 CO 0.07 0.44 0.60 0.18 -1.51 0.00 0.00 177.39 177.16 1bve n LEU 90 N -2.92 0.00 -0.00 2.23 4.77 0.11 -1.27 117.00 119.91 1bve n LEU 90 Ca -0.24 0.34 0.10 0.00 -0.03 0.00 0.00 56.01 56.18 1bve n LEU 90 Cb 1.10 -0.34 -0.13 0.00 -2.33 0.00 0.00 43.42 41.71 1bve n LEU 90 CO 0.44 -0.24 -0.39 0.35 -1.33 0.00 0.00 177.39 176.22 1bve n THR 91 N -1.34 0.00 0.12 -5.08 -2.24 -0.66 0.09 114.28 105.17 1bve n THR 91 Ca 0.04 -0.25 -0.24 0.00 -2.27 0.00 0.00 64.05 61.33 1bve n THR 91 Cb 0.08 0.52 -0.16 0.00 -2.10 0.00 0.00 70.33 68.67 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 0.49 -0.06 -0.78 1.08 -1.34 -3.15 115.11 111.35 1bve h GLN 92 Ca 0.00 -0.83 0.00 0.00 -1.45 0.00 0.00 58.65 56.37 1bve h GLN 92 Cb 0.70 0.31 0.00 0.00 -0.05 0.00 0.00 27.48 28.44 1bve h GLN 92 CO 0.00 1.40 0.00 0.44 -0.95 0.00 0.00 178.83 179.72 1bve n ILE 93 N -3.82 0.07 -2.73 2.54 -5.35 -1.18 -4.87 119.36 104.02 1bve n ILE 93 Ca -0.16 -0.10 -0.06 0.00 -0.27 0.00 0.00 62.75 62.15 1bve n ILE 93 Cb 1.04 -0.07 0.02 0.00 -1.74 0.00 0.00 39.64 38.89 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 0.84 0.49 3.75 3.28 0.00 -1.19 -4.95 105.19 107.41 1bve n GLY 94 Ca 0.12 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.09 3.35 -0.03 4.61 0.00 0.11 -5.00 121.76 121.71 1bve s ALA 95 Ca 0.14 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.59 1bve s ALA 95 Cb -0.06 -3.13 0.02 0.00 0.00 0.00 0.00 23.12 19.96 1bve s ALA 95 CO 0.20 0.15 -0.02 0.95 0.00 0.00 0.00 175.76 177.04 1bve s THR 96 N -0.70 0.30 -0.88 0.00 -4.23 -1.26 -4.65 115.64 104.21 1bve s THR 96 Ca 0.41 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.72 1bve s THR 96 Cb -0.24 -0.37 0.11 0.00 1.34 0.00 0.00 72.50 73.35 1bve s THR 96 CO 0.29 0.17 1.12 -0.76 -0.54 0.00 0.00 174.62 174.90 1bve s LEU 97 N 0.91 4.76 -0.23 4.79 1.02 -1.26 -4.99 118.68 123.68 1bve s LEU 97 Ca -0.10 -1.76 -0.15 0.00 0.02 0.00 0.00 54.13 52.14 1bve s LEU 97 Cb -0.13 -2.42 -0.04 0.00 0.02 0.00 0.00 46.19 43.62 1bve s LEU 97 CO -0.01 -1.19 0.37 0.20 0.02 0.00 0.00 176.35 175.74 1bve s ASN 98 N 3.78 6.34 0.00 2.29 0.02 -1.26 -5.32 114.94 120.80 1bve s ASN 98 Ca 0.32 0.40 0.00 0.00 -1.02 0.00 0.00 52.86 52.56 1bve s ASN 98 Cb -0.07 -2.21 0.00 0.00 0.02 0.00 0.00 41.25 38.99 1bve s ASN 98 CO -0.05 -0.10 0.00 2.22 0.02 0.00 0.00 177.10 179.19