#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 4.37 -0.16 -0.52 0.74 -1.26 -5.05 119.66 117.78 1bve s GLN 2 Ca 0.00 1.04 -0.04 0.00 0.05 0.00 0.00 55.36 56.41 1bve s GLN 2 Cb 0.00 -2.84 0.07 0.00 1.10 0.00 0.00 33.01 31.34 1bve s GLN 2 CO 0.00 0.35 0.18 0.08 -0.55 0.00 0.00 175.29 175.35 1bve s VAL 3 N -1.56 -0.27 0.02 1.34 1.01 -1.26 -5.02 120.40 114.66 1bve s VAL 3 Ca 0.46 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 1bve s VAL 3 Cb -0.17 -0.56 -0.00 0.00 0.00 0.00 0.00 36.38 35.65 1bve s VAL 3 CO 0.22 -0.12 -0.01 0.35 0.00 0.00 0.00 175.10 175.54 1bve n THR 4 N 5.31 0.37 -2.19 3.92 -2.24 -1.26 -4.95 114.28 113.24 1bve n THR 4 Ca -0.06 0.15 -0.11 0.00 -2.27 0.00 0.00 64.05 61.76 1bve n THR 4 Cb 0.50 -1.23 -0.02 0.00 -2.10 0.00 0.00 70.33 67.47 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 -2.82 -0.21 -2.34 3.22 -0.00 -1.26 -2.85 117.00 110.74 1bve n LEU 5 Ca -0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 56.01 55.76 1bve n LEU 5 Cb 0.02 -0.54 0.00 0.00 -0.00 0.00 0.00 43.42 42.90 1bve n LEU 5 CO 0.01 0.03 0.00 0.79 -0.00 0.00 0.00 177.39 178.21 1bve n TRP 6 N -1.56 0.00 -2.83 1.47 7.02 -1.26 -4.70 117.44 115.58 1bve n TRP 6 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 1bve n TRP 6 Cb 0.18 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.07 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 -0.78 0.00 -2.47 -0.99 6.02 -1.13 -5.12 117.38 112.91 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 -1.03 4.47 -1.28 -1.09 0.52 -1.26 -4.92 118.95 114.35 1bve s ARG 8 Ca 0.00 1.72 -0.19 0.00 -0.52 0.00 0.00 55.73 56.75 1bve s ARG 8 Cb 0.00 -3.35 0.04 0.00 0.52 0.00 0.00 34.95 32.16 1bve s ARG 8 CO 0.00 -0.18 1.80 -0.35 0.02 0.00 0.00 175.30 176.59 1bve n PRO 9 N 3.68 2.90 -3.70 3.54 -0.04 -1.26 -4.96 135.00 135.16 1bve n PRO 9 Ca 0.08 -3.09 -0.37 0.00 -0.04 0.00 0.00 63.50 60.07 1bve n PRO 9 Cb 0.47 -3.52 -0.06 0.00 -0.04 0.00 0.00 33.50 30.35 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 5.21 4.42 0.03 1.53 1.43 -1.26 -2.06 118.68 127.99 1bve s LEU 10 Ca 0.56 0.69 0.02 0.00 -1.03 0.00 0.00 54.13 54.37 1bve s LEU 10 Cb 0.04 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.93 1bve s LEU 10 CO 0.08 0.36 -0.08 0.68 0.23 0.00 0.00 176.35 177.62 1bve s VAL 11 N -0.98 0.57 -0.54 -1.59 -7.23 -0.83 -4.85 120.40 104.95 1bve s VAL 11 Ca 0.19 -0.89 -0.28 0.00 -1.81 0.00 0.00 61.98 59.19 1bve s VAL 11 Cb -0.14 -0.60 0.01 0.00 0.56 0.00 0.00 36.38 36.21 1bve s VAL 11 CO 0.08 -0.24 1.43 -0.89 -0.31 0.00 0.00 175.10 175.18 1bve s THR 12 N -1.06 3.78 0.01 5.32 2.01 -1.26 -1.46 115.64 122.99 1bve s THR 12 Ca -0.06 0.69 -0.04 0.00 0.31 0.00 0.00 61.69 62.59 1bve s THR 12 Cb -0.08 -4.38 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 1bve s THR 12 CO 0.00 -1.09 0.22 0.27 -0.69 0.00 0.00 174.62 173.33 1bve s ILE 13 N 6.08 5.38 -0.44 1.82 -4.36 -0.67 -3.86 121.20 125.14 1bve s ILE 13 Ca 0.54 -0.09 -0.04 0.00 -0.26 0.00 0.00 60.65 60.80 1bve s ILE 13 Cb -0.11 -3.56 0.12 0.00 1.25 0.00 0.00 42.46 40.15 1bve s ILE 13 CO 0.26 0.30 0.25 -0.75 0.24 0.00 0.00 174.94 175.24 1bve s LYS 14 N -2.00 2.14 -0.08 0.37 2.20 -0.95 -2.68 119.74 118.74 1bve s LYS 14 Ca 0.29 -1.85 0.05 0.00 -0.36 0.00 0.00 55.97 54.10 1bve s LYS 14 Cb -0.13 -3.68 -0.00 0.00 -1.51 0.00 0.00 37.83 32.51 1bve s LYS 14 CO 0.19 -1.11 -0.24 0.42 -0.36 0.00 0.00 175.35 174.26 1bve s ILE 15 N 1.13 2.02 -1.52 5.43 1.01 -0.97 -2.30 121.20 126.00 1bve s ILE 15 Ca 0.08 -1.02 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 1bve s ILE 15 Cb -0.23 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.51 1bve s ILE 15 CO -0.03 0.56 0.32 0.61 0.00 0.00 0.00 174.94 176.39 1bve n GLY 16 N 3.27 -0.42 2.39 6.18 0.00 -1.26 -1.07 105.19 114.28 1bve n GLY 16 Ca -0.18 -0.00 -0.14 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 -1.28 1.18 3.74 -0.02 0.00 -1.26 -4.93 105.19 102.62 1bve n GLY 17 Ca -0.16 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.49 2.15 -0.04 1.61 -0.21 -0.23 -5.13 119.66 114.31 1bve s GLN 18 Ca 0.00 -2.19 -0.02 0.00 0.02 0.00 0.00 55.36 53.17 1bve s GLN 18 Cb 0.00 -1.70 0.03 0.00 1.00 0.00 0.00 33.01 32.34 1bve s GLN 18 CO 0.00 -0.27 0.06 -0.51 -2.12 0.00 0.00 175.29 172.45 1bve s LEU 19 N -3.89 0.16 0.18 2.90 1.43 -1.26 -2.30 118.68 115.90 1bve s LEU 19 Ca 0.22 0.08 -0.05 0.00 -1.03 0.00 0.00 54.13 53.35 1bve s LEU 19 Cb 0.04 -0.14 -0.03 0.00 0.03 0.00 0.00 46.19 46.10 1bve s LEU 19 CO 0.12 -0.25 0.22 -0.54 0.23 0.00 0.00 176.35 176.13 1bve s LYS 20 N 2.15 1.19 0.77 1.70 -0.14 -1.09 -4.98 119.74 119.34 1bve s LYS 20 Ca 0.05 -1.40 -0.12 0.00 -1.36 0.00 0.00 55.97 53.14 1bve s LYS 20 Cb -0.12 0.33 0.05 0.00 -1.68 0.00 0.00 37.83 36.41 1bve s LYS 20 CO -0.03 -0.42 1.10 -1.21 -0.76 0.00 0.00 175.35 174.04 1bve s GLU 21 N -4.06 2.30 -0.08 1.68 8.01 -1.26 -1.68 118.70 123.61 1bve s GLU 21 Ca 0.27 0.52 -0.03 0.00 0.01 0.00 0.00 54.97 55.75 1bve s GLU 21 Cb 0.05 -1.95 0.04 0.00 -4.31 0.00 0.00 34.13 27.96 1bve s GLU 21 CO 0.06 -1.44 0.14 0.00 0.01 0.00 0.00 175.26 174.02 1bve s ALA 22 N -3.26 -0.06 -0.85 5.21 0.00 -0.53 -4.33 121.76 117.94 1bve s ALA 22 Ca 0.60 0.45 -0.20 0.00 0.00 0.00 0.00 51.96 52.81 1bve s ALA 22 Cb -0.13 -0.77 0.10 0.00 0.00 0.00 0.00 23.12 22.32 1bve s ALA 22 CO 0.53 -0.56 1.10 -1.17 0.00 0.00 0.00 175.76 175.66 1bve s LEU 23 N 2.26 4.71 -0.92 0.00 2.96 -0.28 -1.97 118.68 125.44 1bve s LEU 23 Ca 0.04 -1.65 -0.26 0.00 -0.22 0.00 0.00 54.13 52.04 1bve s LEU 23 Cb -0.12 -2.42 -0.22 0.00 0.50 0.00 0.00 46.19 43.93 1bve s LEU 23 CO -0.05 -1.23 2.54 0.18 -1.32 0.00 0.00 176.35 176.48 1bve n LEU 24 N 7.12 0.30 -4.33 -0.68 4.77 -0.87 -3.08 117.00 120.23 1bve n LEU 24 Ca 0.15 -0.13 -0.45 0.00 -0.03 0.00 0.00 56.01 55.56 1bve n LEU 24 Cb 0.48 -0.97 -0.01 0.00 -2.33 0.00 0.00 43.42 40.59 1bve n LEU 24 CO 0.56 -1.06 0.72 -0.62 -1.33 0.00 0.00 177.39 175.66 1bve s ASP 25 N 7.84 7.19 0.28 -1.43 -1.08 -0.16 -4.82 116.67 124.49 1bve s ASP 25 Ca 1.28 -3.50 0.19 0.00 -0.52 0.00 0.00 52.55 50.00 1bve s ASP 25 Cb -0.98 -2.19 1.01 0.00 -1.46 0.00 0.00 42.92 39.30 1bve s ASP 25 CO 0.46 -0.31 1.58 0.41 0.52 0.00 0.00 175.17 177.82 1bve n THR 26 N 2.82 1.14 0.06 1.71 -1.04 -1.25 -1.25 114.28 116.48 1bve n THR 26 Ca 0.23 0.67 -0.06 0.00 -2.04 0.00 0.00 64.05 62.85 1bve n THR 26 Cb 0.40 -1.67 0.12 0.00 -1.82 0.00 0.00 70.33 67.36 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 0.17 0.36 -0.78 3.41 0.00 -1.90 -3.42 103.07 100.91 1bve h GLY 27 Ca 0.00 -0.42 -0.47 0.00 0.00 0.00 0.00 47.33 46.44 1bve h GLY 27 CO 0.00 0.38 0.37 0.00 0.00 0.00 0.00 176.54 177.28 1bve s ALA 28 N -3.89 2.79 -0.33 3.60 0.00 -0.38 -5.00 121.76 118.56 1bve s ALA 28 Ca -0.05 -0.68 0.22 0.00 0.00 0.00 0.00 51.96 51.45 1bve s ALA 28 Cb 0.12 -2.88 -0.24 0.00 0.00 0.00 0.00 23.12 20.12 1bve s ALA 28 CO 0.81 -1.54 0.69 -0.25 0.00 0.00 0.00 175.76 175.47 1bve n ASP 29 N -3.19 0.36 -1.41 0.00 8.00 -1.26 -2.99 116.55 116.05 1bve n ASP 29 Ca 0.08 -0.21 -0.02 0.00 0.71 0.00 0.00 54.79 55.34 1bve n ASP 29 Cb 0.61 1.50 -0.01 0.00 -0.02 0.00 0.00 41.12 43.19 1bve n ASP 29 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1bve n ASP 30 N -2.09 0.24 -4.24 -2.24 -0.08 -1.26 -2.48 116.55 104.40 1bve n ASP 30 Ca -0.01 -1.26 -0.43 0.00 -1.51 0.00 0.00 54.79 51.58 1bve n ASP 30 Cb 0.50 0.17 -0.05 0.00 2.34 0.00 0.00 41.12 44.08 1bve n ASP 30 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1bve s THR 31 N -2.02 4.86 1.12 5.18 2.01 -1.15 0.66 115.64 126.30 1bve s THR 31 Ca 0.04 -2.63 -0.16 0.00 0.31 0.00 0.00 61.69 59.25 1bve s THR 31 Cb 0.00 -4.06 0.25 0.00 0.01 0.00 0.00 72.50 68.70 1bve s THR 31 CO 0.03 -0.96 1.11 0.54 -0.69 0.00 0.00 174.62 174.64 1bve s VAL 32 N 0.13 1.78 -0.30 3.82 0.11 0.80 -1.06 120.40 125.67 1bve s VAL 32 Ca 0.17 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.07 1bve s VAL 32 Cb -0.15 -2.51 0.16 0.00 -1.53 0.00 0.00 36.38 32.35 1bve s VAL 32 CO -0.06 0.00 0.95 -0.76 -3.33 0.00 0.00 175.10 171.90 1bve s LEU 33 N -6.72 -0.62 0.73 2.54 1.02 0.42 -1.25 118.68 114.80 1bve s LEU 33 Ca 0.69 0.88 -0.15 0.00 0.02 0.00 0.00 54.13 55.57 1bve s LEU 33 Cb -0.13 1.74 -0.13 0.00 0.02 0.00 0.00 46.19 47.69 1bve s LEU 33 CO 0.57 -0.13 -0.52 -1.84 0.02 0.00 0.00 176.35 174.45 1bve n GLU 34 N 4.79 0.00 -1.42 1.70 0.28 -1.12 -2.82 120.64 122.06 1bve n GLU 34 Ca -0.11 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.47 1bve n GLU 34 Cb 0.53 -0.87 0.00 0.00 1.43 0.00 0.00 31.44 32.54 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 1.90 0.45 -0.62 3.44 0.00 0.16 -4.41 120.64 121.56 1bve n GLU 35 Ca 0.01 0.16 0.00 0.00 0.00 0.00 0.00 57.16 57.33 1bve n GLU 35 Cb 0.46 -1.40 0.00 0.00 0.00 0.00 0.00 31.44 30.50 1bve n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1bve n MET 36 N 0.73 0.00 -4.30 5.31 0.00 -1.26 -4.95 117.12 112.66 1bve n MET 36 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.48 1bve n MET 36 Cb 0.39 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.46 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 0.51 3.59 0.18 3.17 0.15 -1.26 -5.07 113.70 114.96 1bve s SER 37 Ca 0.00 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 56.15 1bve s SER 37 Cb 0.00 -1.56 -0.00 0.00 -1.71 0.00 0.00 66.02 62.74 1bve s SER 37 CO 0.00 0.04 0.05 -0.11 1.20 0.00 0.00 173.24 174.41 1bve n LEU 38 N 4.37 0.00 0.00 3.45 7.94 -1.26 -4.74 117.00 126.76 1bve n LEU 38 Ca -0.20 -1.27 0.00 0.00 -1.11 0.00 0.00 56.01 53.43 1bve n LEU 38 Cb 0.51 0.35 0.00 0.00 0.53 0.00 0.00 43.42 44.81 1bve n LEU 38 CO 0.28 -0.19 0.00 -0.81 -1.11 0.00 0.00 177.39 175.55 1bve n PRO 39 N -0.41 0.61 -1.67 1.96 -0.04 -1.26 -4.98 135.00 129.20 1bve n PRO 39 Ca -0.04 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.15 1bve n PRO 39 Cb 0.25 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.77 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 4.51 6.10 2.56 0.55 0.00 -1.26 -4.71 105.19 112.94 1bve n GLY 40 Ca 0.00 -2.43 -0.23 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.82 2.16 -3.86 1.61 1.74 -1.26 -5.07 116.66 111.16 1bve n ARG 41 Ca 0.51 -4.18 -0.19 0.00 -0.77 0.00 0.00 57.85 53.22 1bve n ARG 41 Cb 0.86 -1.97 -0.06 0.00 -1.02 0.00 0.00 32.46 30.27 1bve n ARG 41 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 1bve n TRP 42 N 0.15 -0.07 -4.02 -1.55 4.27 -1.26 -4.45 117.44 110.51 1bve n TRP 42 Ca 0.28 -2.10 -0.15 0.00 -3.89 0.00 0.00 57.50 51.64 1bve n TRP 42 Cb 0.50 0.05 -0.15 0.00 -1.36 0.00 0.00 31.31 30.36 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 -3.19 0.25 0.23 -2.67 -0.14 -1.02 -4.87 119.74 108.34 1bve s LYS 43 Ca 0.20 -0.08 -0.30 0.00 -1.36 0.00 0.00 55.97 54.43 1bve s LYS 43 Cb 0.01 -0.27 -0.09 0.00 -1.68 0.00 0.00 37.83 35.81 1bve s LYS 43 CO 0.14 0.03 1.03 -1.25 -0.76 0.00 0.00 175.35 174.54 1bve s PRO 44 N 0.09 4.72 0.00 -1.68 0.04 -1.26 -0.16 135.00 136.75 1bve s PRO 44 Ca -0.01 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1bve s PRO 44 Cb -0.03 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1bve s PRO 44 CO -0.00 0.31 0.00 0.36 0.04 0.00 0.00 177.00 177.71 1bve n LYS 45 N 1.65 0.00 -3.72 4.56 2.85 -0.37 -4.94 118.16 118.20 1bve n LYS 45 Ca -0.01 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 1bve n LYS 45 Cb 0.46 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.74 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 -1.84 0.43 -0.13 -1.58 -1.94 -1.26 -1.66 119.30 111.33 1bve s MET 46 Ca 0.00 0.66 -0.07 0.00 -1.71 0.00 0.00 55.69 54.57 1bve s MET 46 Cb 0.00 0.12 -0.04 0.00 2.01 0.00 0.00 34.83 36.91 1bve s MET 46 CO 0.00 -0.10 0.14 0.96 -0.01 0.00 0.00 175.02 176.01 1bve s ILE 47 N 0.74 5.49 -0.30 2.53 -4.36 -0.96 -4.90 121.20 119.44 1bve s ILE 47 Ca -0.04 0.20 0.02 0.00 -0.26 0.00 0.00 60.65 60.58 1bve s ILE 47 Cb -0.05 -3.40 0.08 0.00 1.25 0.00 0.00 42.46 40.33 1bve s ILE 47 CO -0.05 0.61 -0.02 -0.83 0.24 0.00 0.00 174.94 174.88 1bve s GLY 48 N -0.93 1.78 0.00 6.27 0.00 -1.26 -1.47 107.32 111.72 1bve s GLY 48 Ca 0.14 -2.07 0.00 0.00 0.00 0.00 0.00 44.72 42.79 1bve s GLY 48 CO 0.04 0.76 0.00 0.61 0.00 0.00 0.00 173.10 174.50 1bve n GLY 49 N 4.40 3.46 3.59 0.20 0.00 -1.10 -4.99 105.19 110.75 1bve n GLY 49 Ca -0.07 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 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 3.33 4.81 0.00 -0.61 1.01 -1.26 -4.02 121.20 124.46 1bve s ILE 50 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 60.65 61.51 1bve s ILE 50 Cb 0.00 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.33 1bve s ILE 50 CO 0.00 -0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.21 1bve n GLY 51 N 4.50 1.59 0.00 6.18 0.00 -1.26 -5.01 105.19 111.18 1bve n GLY 51 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.09 3.39 -0.02 0.00 -1.26 -5.09 105.19 102.31 1bve n GLY 52 Ca 0.00 -1.43 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 1bve n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bve s PHE 53 N -2.99 2.97 0.49 1.61 0.40 -1.26 -2.72 117.98 116.47 1bve s PHE 53 Ca 0.00 -0.65 0.08 0.00 -0.60 0.00 0.00 56.93 55.76 1bve s PHE 53 Cb 0.00 -2.03 0.04 0.00 0.51 0.00 0.00 43.02 41.53 1bve s PHE 53 CO 0.00 -0.32 0.60 0.96 0.70 0.00 0.00 175.22 177.16 1bve s ILE 54 N 0.98 2.48 -0.12 0.64 -4.36 -0.54 -4.91 121.20 115.37 1bve s ILE 54 Ca 0.00 -1.11 -0.03 0.00 -0.26 0.00 0.00 60.65 59.25 1bve s ILE 54 Cb -0.15 -2.60 -0.03 0.00 1.25 0.00 0.00 42.46 40.94 1bve s ILE 54 CO 0.01 0.00 -0.01 -0.54 0.24 0.00 0.00 174.94 174.64 1bve s LYS 55 N -4.42 3.32 0.03 0.37 1.02 -1.26 -2.28 119.74 116.52 1bve s LYS 55 Ca 0.54 -0.44 -0.05 0.00 0.02 0.00 0.00 55.97 56.04 1bve s LYS 55 Cb -0.06 -2.87 -0.01 0.00 -0.52 0.00 0.00 37.83 34.36 1bve s LYS 55 CO 0.33 0.50 0.08 0.14 -0.92 0.00 0.00 175.35 175.48 1bve s VAL 56 N -0.32 0.12 0.50 3.17 -7.23 -0.66 -3.27 120.40 112.71 1bve s VAL 56 Ca 0.06 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 1bve s VAL 56 Cb -0.12 -0.68 0.01 0.00 0.56 0.00 0.00 36.38 36.15 1bve s VAL 56 CO 0.02 -0.54 0.73 -0.13 -0.31 0.00 0.00 175.10 174.87 1bve s ARG 57 N -2.12 2.81 -0.31 4.82 0.52 -0.00 -1.23 118.95 123.45 1bve s ARG 57 Ca -0.09 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 1bve s ARG 57 Cb -0.04 -2.51 0.10 0.00 0.52 0.00 0.00 34.95 33.01 1bve s ARG 57 CO -0.02 -0.50 0.08 -1.14 0.02 0.00 0.00 175.30 173.74 1bve s GLN 58 N -4.67 0.91 -0.25 3.54 0.74 0.78 -2.75 119.66 117.95 1bve s GLN 58 Ca 0.53 -1.22 -0.11 0.00 0.05 0.00 0.00 55.36 54.61 1bve s GLN 58 Cb -0.10 -2.28 -0.05 0.00 1.10 0.00 0.00 33.01 31.68 1bve s GLN 58 CO 0.38 -0.95 0.17 0.71 -0.55 0.00 0.00 175.29 175.05 1bve s TYR 59 N 1.46 3.28 -0.18 1.67 1.51 -0.71 -2.42 117.35 121.96 1bve s TYR 59 Ca 0.09 0.17 -0.11 0.00 -1.01 0.00 0.00 57.07 56.21 1bve s TYR 59 Cb -0.18 -2.30 -0.05 0.00 -0.11 0.00 0.00 41.96 39.32 1bve s TYR 59 CO -0.20 -0.02 0.18 -0.51 -1.11 0.00 0.00 175.55 173.90 1bve s ASP 60 N 1.29 6.30 0.00 2.29 1.01 -1.26 -2.00 116.67 124.30 1bve s ASP 60 Ca 0.07 0.34 0.00 0.00 0.71 0.00 0.00 52.55 53.67 1bve s ASP 60 Cb -0.14 -2.12 0.00 0.00 1.01 0.00 0.00 42.92 41.67 1bve s ASP 60 CO 0.06 0.17 0.00 0.00 0.21 0.00 0.00 175.17 175.61 1bve n GLN 61 N 3.42 0.00 -3.85 8.23 6.02 -1.22 -4.97 117.38 125.02 1bve n GLN 61 Ca -0.15 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.48 1bve n GLN 61 Cb 0.52 -1.29 -0.13 0.00 1.02 0.00 0.00 30.24 30.36 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 3.60 -1.00 5.09 -1.09 -0.20 -4.77 121.20 119.99 1bve s ILE 62 Ca 0.00 -0.61 -0.24 0.00 -2.23 0.00 0.00 60.65 57.57 1bve s ILE 62 Cb 0.00 -2.75 -0.06 0.00 -1.58 0.00 0.00 42.46 38.07 1bve s ILE 62 CO 0.00 0.26 1.94 -0.22 -1.23 0.00 0.00 174.94 175.69 1bve s LEU 63 N 1.48 3.13 -0.29 2.97 0.20 -1.26 -0.63 118.68 124.28 1bve s LEU 63 Ca 0.04 -1.01 -0.21 0.00 0.69 0.00 0.00 54.13 53.64 1bve s LEU 63 Cb -0.16 -2.57 -0.01 0.00 -0.43 0.00 0.00 46.19 43.02 1bve s LEU 63 CO -0.01 -2.84 0.68 -0.51 -0.29 0.00 0.00 176.35 173.38 1bve s ILE 64 N 10.34 4.91 -0.40 6.68 2.07 0.68 -4.45 121.20 141.03 1bve s ILE 64 Ca 0.69 1.06 -0.23 0.00 -1.41 0.00 0.00 60.65 60.76 1bve s ILE 64 Cb -0.05 -4.03 0.02 0.00 0.13 0.00 0.00 42.46 38.53 1bve s ILE 64 CO 0.04 -0.12 0.77 -0.70 -1.91 0.00 0.00 174.94 173.02 1bve s GLU 65 N 2.68 3.59 -0.27 3.50 2.12 -0.97 -2.04 118.70 127.31 1bve s GLU 65 Ca 0.28 0.10 -0.09 0.00 0.36 0.00 0.00 54.97 55.62 1bve s GLU 65 Cb -0.15 -3.87 -0.03 0.00 0.26 0.00 0.00 34.13 30.35 1bve s GLU 65 CO 0.11 -0.96 0.13 0.42 -0.54 0.00 0.00 175.26 174.42 1bve s ILE 66 N 3.14 4.67 -1.24 -3.70 1.09 -0.66 -2.24 121.20 122.27 1bve s ILE 66 Ca 0.30 -0.14 -0.08 0.00 -1.10 0.00 0.00 60.65 59.63 1bve s ILE 66 Cb -0.13 -3.25 0.01 0.00 -1.06 0.00 0.00 42.46 38.03 1bve s ILE 66 CO 0.19 0.24 1.08 0.00 -0.10 0.00 0.00 174.94 176.36 1bve n GLY 68 N -1.87 0.29 3.92 0.00 0.00 -1.26 -4.98 105.19 101.28 1bve n GLY 68 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.66 3.40 -0.15 1.61 4.02 -0.39 -5.08 115.29 117.05 1bve s HIS 69 Ca 0.00 0.06 -0.21 0.00 1.02 0.00 0.00 55.06 55.94 1bve s HIS 69 Cb 0.00 -1.61 -0.03 0.00 -1.02 0.00 0.00 32.58 29.92 1bve s HIS 69 CO 0.00 0.50 0.60 0.21 1.02 0.00 0.00 174.74 177.07 1bve s LYS 70 N -3.36 4.29 -0.27 1.40 2.36 -1.26 -1.65 119.74 121.24 1bve s LYS 70 Ca 0.34 0.62 -0.00 0.00 -2.55 0.00 0.00 55.97 54.37 1bve s LYS 70 Cb -0.10 -3.51 0.14 0.00 -1.05 0.00 0.00 37.83 33.30 1bve s LYS 70 CO 0.28 -0.06 0.33 0.00 1.55 0.00 0.00 175.35 177.44 1bve s ALA 71 N 1.32 -0.73 0.58 3.13 0.00 -0.86 -4.91 121.76 120.28 1bve s ALA 71 Ca 0.30 0.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.20 1bve s ALA 71 Cb -0.16 -1.81 -0.05 0.00 0.00 0.00 0.00 23.12 21.10 1bve s ALA 71 CO 0.12 -1.61 0.99 0.42 0.00 0.00 0.00 175.76 175.67 1bve s ILE 72 N 2.43 4.71 0.00 0.00 -1.09 -1.26 -0.23 121.20 125.76 1bve s ILE 72 Ca 0.10 0.85 0.00 0.00 -2.23 0.00 0.00 60.65 59.36 1bve s ILE 72 Cb -0.14 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 36.90 1bve s ILE 72 CO -0.28 -1.02 0.00 0.61 -1.23 0.00 0.00 174.94 173.03 1bve n GLY 73 N -2.45 0.00 3.58 6.18 0.00 0.20 -4.80 105.19 107.90 1bve n GLY 73 Ca 0.05 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.00 4.52 -0.04 2.61 2.01 -1.26 -1.03 115.64 120.45 1bve s THR 74 Ca 0.00 0.90 -0.04 0.00 0.31 0.00 0.00 61.69 62.86 1bve s THR 74 Cb 0.00 -4.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 1bve s THR 74 CO 0.00 -0.72 0.16 -0.69 -0.69 0.00 0.00 174.62 172.68 1bve s VAL 75 N 3.64 5.39 -0.14 3.82 1.01 -0.84 -2.96 120.40 130.31 1bve s VAL 75 Ca 0.37 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.27 1bve s VAL 75 Cb -0.11 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 1bve s VAL 75 CO 0.23 0.40 -0.16 -0.76 0.00 0.00 0.00 175.10 174.82 1bve s LEU 76 N -1.69 2.51 -0.26 3.92 1.02 -0.23 -1.74 118.68 122.20 1bve s LEU 76 Ca 0.24 -0.44 -0.05 0.00 0.02 0.00 0.00 54.13 53.91 1bve s LEU 76 Cb -0.12 -1.56 0.01 0.00 0.02 0.00 0.00 46.19 44.54 1bve s LEU 76 CO 0.15 0.12 0.01 -0.69 0.02 0.00 0.00 176.35 175.96 1bve s VAL 77 N 0.62 3.53 0.00 -1.59 1.01 -1.11 0.16 120.40 123.02 1bve s VAL 77 Ca -0.09 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1bve s VAL 77 Cb -0.16 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1bve s VAL 77 CO 0.03 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1bve n GLY 78 N 4.79 3.76 1.69 4.51 0.00 -1.13 -0.82 105.19 118.00 1bve n GLY 78 Ca -0.16 -1.10 -0.05 0.00 0.00 0.00 0.00 46.02 44.71 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 1.36 -3.14 1.61 -0.04 -1.20 0.36 135.00 133.94 1bve n PRO 79 Ca 0.00 -0.46 -0.39 0.00 -0.04 0.00 0.00 63.50 62.61 1bve n PRO 79 Cb 0.00 -1.34 -0.05 0.00 -0.04 0.00 0.00 33.50 32.07 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 5.07 -0.89 0.52 -1.32 -1.26 -4.93 115.64 112.81 1bve s THR 80 Ca 0.21 1.28 0.00 0.00 -1.21 0.00 0.00 61.69 61.97 1bve s THR 80 Cb 0.11 -3.96 0.00 0.00 -1.51 0.00 0.00 72.50 67.14 1bve s THR 80 CO -0.01 0.29 0.50 -0.81 -2.21 0.00 0.00 174.62 172.39 1bve n PRO 81 N 3.64 0.91 -3.44 7.08 -0.04 -1.26 -3.83 135.00 138.07 1bve n PRO 81 Ca -0.04 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.31 1bve n PRO 81 Cb 0.51 -1.41 -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 -0.89 0.00 -0.00 0.52 1.01 -1.26 -5.02 120.40 114.76 1bve s VAL 82 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 1bve s VAL 82 Cb 0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.32 1bve s VAL 82 CO 0.00 0.00 0.52 0.20 0.00 0.00 0.00 175.10 175.82 1bve s ASN 83 N -2.64 6.91 -0.12 3.32 0.01 -1.26 -2.79 114.94 118.37 1bve s ASN 83 Ca 0.01 1.08 0.01 0.00 -0.71 0.00 0.00 52.86 53.25 1bve s ASN 83 Cb -0.01 -2.32 0.02 0.00 0.41 0.00 0.00 41.25 39.35 1bve s ASN 83 CO -0.11 0.19 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.90 1bve s ILE 84 N -0.52 1.44 -0.60 0.60 -1.09 -0.38 -1.13 121.20 119.52 1bve s ILE 84 Ca 0.28 -0.58 -0.10 0.00 -2.23 0.00 0.00 60.65 58.02 1bve s ILE 84 Cb -0.18 -1.35 0.15 0.00 -1.58 0.00 0.00 42.46 39.51 1bve s ILE 84 CO 0.16 0.43 0.49 -0.63 -1.23 0.00 0.00 174.94 174.16 1bve s ILE 85 N 1.27 4.60 0.00 2.92 1.09 -1.18 -0.14 121.20 129.76 1bve s ILE 85 Ca -0.01 -2.16 0.00 0.00 -1.10 0.00 0.00 60.65 57.38 1bve s ILE 85 Cb -0.14 -3.95 0.00 0.00 -1.06 0.00 0.00 42.46 37.31 1bve s ILE 85 CO -0.06 -0.87 0.00 0.61 -0.10 0.00 0.00 174.94 174.52 1bve n GLY 86 N 4.43 -0.66 0.26 6.18 0.00 0.21 -0.98 105.19 114.63 1bve n GLY 86 Ca -0.00 -1.61 -0.07 0.00 0.00 0.00 0.00 46.02 44.34 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 0.72 -1.32 1.61 3.08 -1.59 -1.49 114.38 115.40 1bve h ARG 87 Ca 0.00 -0.29 0.38 0.00 0.07 0.00 0.00 59.98 60.14 1bve h ARG 87 Cb 0.00 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 1bve h ARG 87 CO 0.00 0.89 1.03 -2.95 -1.07 0.00 0.00 179.97 177.87 1bve h ASN 88 N 0.63 0.00 0.00 7.04 -1.07 -1.76 0.18 115.58 120.59 1bve h ASN 88 Ca 0.09 0.00 -0.19 0.00 0.07 0.00 0.00 56.30 56.27 1bve h ASN 88 Cb 0.73 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.95 1bve h ASN 88 CO 0.06 0.00 -1.85 0.18 0.07 0.00 0.00 177.43 175.89 1bve n LEU 89 N -3.94 0.00 0.00 6.14 7.99 -1.05 -4.09 117.00 122.04 1bve n LEU 89 Ca 0.29 0.00 0.08 0.00 -0.01 0.00 0.00 56.01 56.37 1bve n LEU 89 Cb 1.45 0.25 0.39 0.00 -0.11 0.00 0.00 43.42 45.39 1bve n LEU 89 CO 0.38 0.25 0.72 0.18 -1.51 0.00 0.00 177.39 177.41 1bve n LEU 90 N -2.38 0.00 -0.01 2.23 4.77 0.37 -1.65 117.00 120.33 1bve n LEU 90 Ca -0.17 0.31 0.10 0.00 -0.03 0.00 0.00 56.01 56.22 1bve n LEU 90 Cb 0.80 -0.31 -0.15 0.00 -2.33 0.00 0.00 43.42 41.43 1bve n LEU 90 CO 0.29 -0.15 -0.74 0.35 -1.33 0.00 0.00 177.39 175.81 1bve n THR 91 N -1.31 0.00 0.05 -5.08 -2.24 0.20 0.68 114.28 106.59 1bve n THR 91 Ca 0.07 -0.45 -0.21 0.00 -2.27 0.00 0.00 64.05 61.19 1bve n THR 91 Cb 0.13 0.05 -0.11 0.00 -2.10 0.00 0.00 70.33 68.30 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 0.68 -0.01 -0.78 1.08 -1.46 -3.09 115.11 111.53 1bve h GLN 92 Ca 0.00 -0.77 0.00 0.00 -1.45 0.00 0.00 58.65 56.43 1bve h GLN 92 Cb 0.91 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.56 1bve h GLN 92 CO 0.00 1.33 -0.06 0.44 -0.95 0.00 0.00 178.83 179.59 1bve n ILE 93 N -3.86 0.00 -2.01 2.54 -5.35 -1.13 -4.90 119.36 104.65 1bve n ILE 93 Ca -0.12 -0.15 -0.01 0.00 -0.27 0.00 0.00 62.75 62.20 1bve n ILE 93 Cb 0.90 0.21 -0.00 0.00 -1.74 0.00 0.00 39.64 39.01 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 1.19 0.32 3.68 3.28 0.00 -1.17 -4.89 105.19 107.60 1bve n GLY 94 Ca 0.18 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 1bve n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bve n ALA 95 N -1.03 0.76 -3.69 4.61 0.00 0.22 -4.98 120.51 116.40 1bve n ALA 95 Ca -0.02 0.03 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 1bve n ALA 95 Cb 0.50 -2.23 -0.11 0.00 0.00 0.00 0.00 19.45 17.62 1bve n ALA 95 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1bve s THR 96 N -1.42 -0.25 -0.49 0.00 -4.23 -1.26 -4.80 115.64 103.20 1bve s THR 96 Ca 0.78 0.14 -0.25 0.00 -1.18 0.00 0.00 61.69 61.18 1bve s THR 96 Cb -0.41 -0.57 0.03 0.00 1.34 0.00 0.00 72.50 72.89 1bve s THR 96 CO 0.45 0.06 0.95 -0.76 -0.54 0.00 0.00 174.62 174.78 1bve s LEU 97 N 1.84 3.98 -0.22 4.79 1.02 -1.26 -5.00 118.68 123.82 1bve s LEU 97 Ca -0.06 0.04 -0.06 0.00 0.02 0.00 0.00 54.13 54.07 1bve s LEU 97 Cb -0.10 -3.14 -0.02 0.00 0.02 0.00 0.00 46.19 42.95 1bve s LEU 97 CO -0.12 -1.12 0.02 0.20 0.02 0.00 0.00 176.35 175.36 1bve s ASN 98 N 2.42 4.83 0.00 2.29 0.02 -1.26 -5.31 114.94 117.93 1bve s ASN 98 Ca 0.36 -0.25 0.00 0.00 -1.02 0.00 0.00 52.86 51.96 1bve s ASN 98 Cb -0.10 -1.84 0.00 0.00 0.02 0.00 0.00 41.25 39.32 1bve s ASN 98 CO 0.25 0.01 0.04 2.22 0.02 0.00 0.00 177.10 179.63