#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 4.16 -0.24 -0.52 0.74 -1.26 -5.05 119.66 117.49 1bve s GLN 2 Ca 0.00 0.57 -0.02 0.00 0.05 0.00 0.00 55.36 55.96 1bve s GLN 2 Cb 0.00 -3.29 0.08 0.00 1.10 0.00 0.00 33.01 30.89 1bve s GLN 2 CO 0.00 0.50 0.06 0.08 -0.55 0.00 0.00 175.29 175.38 1bve s VAL 3 N -0.55 0.62 0.00 1.34 1.01 -1.26 -4.98 120.40 116.57 1bve s VAL 3 Ca 0.27 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1bve s VAL 3 Cb -0.17 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1bve s VAL 3 CO 0.15 -0.40 0.00 0.35 0.00 0.00 0.00 175.10 175.20 1bve n THR 4 N 4.99 0.00 -2.86 3.92 -2.24 -1.26 -4.93 114.28 111.90 1bve n THR 4 Ca -0.07 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.53 1bve n THR 4 Cb 0.45 -0.89 -0.04 0.00 -2.10 0.00 0.00 70.33 67.75 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 -2.48 -0.36 -2.38 3.22 4.77 -1.26 -2.21 117.00 116.30 1bve n LEU 5 Ca 0.00 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1bve n LEU 5 Cb 0.00 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 1bve n LEU 5 CO 0.00 0.04 0.00 0.79 -1.33 0.00 0.00 177.39 176.89 1bve n TRP 6 N -2.26 0.00 -3.79 -1.77 7.02 -1.26 -4.77 117.44 110.61 1bve n TRP 6 Ca 0.05 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.44 1bve n TRP 6 Cb 0.26 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.11 1bve n TRP 6 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1bve s GLN 7 N -2.87 1.38 0.15 -0.99 -1.52 -0.94 -5.11 119.66 109.77 1bve s GLN 7 Ca 0.00 -0.94 -0.34 0.00 -1.95 0.00 0.00 55.36 52.13 1bve s GLN 7 Cb 0.00 0.50 -0.16 0.00 -0.22 0.00 0.00 33.01 33.14 1bve s GLN 7 CO 0.00 -0.58 1.24 0.54 -0.25 0.00 0.00 175.29 176.24 1bve n ARG 8 N -0.33 1.25 -1.52 2.91 1.74 -1.26 -4.78 116.66 114.66 1bve n ARG 8 Ca -0.09 0.45 -0.40 0.00 -0.77 0.00 0.00 57.85 57.03 1bve n ARG 8 Cb 0.62 -2.00 -0.02 0.00 -1.02 0.00 0.00 32.46 30.05 1bve n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1bve n PRO 9 N 2.03 3.30 -2.80 5.56 -0.04 -1.26 -4.95 135.00 136.84 1bve n PRO 9 Ca 0.16 -2.40 -0.34 0.00 -0.04 0.00 0.00 63.50 60.87 1bve n PRO 9 Cb 0.24 -3.03 -0.07 0.00 -0.04 0.00 0.00 33.50 30.60 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 1.13 4.06 -0.02 1.53 1.43 -1.26 -2.50 118.68 123.05 1bve s LEU 10 Ca 0.59 1.74 -0.00 0.00 -1.03 0.00 0.00 54.13 55.43 1bve s LEU 10 Cb 0.16 -4.38 0.02 0.00 0.03 0.00 0.00 46.19 42.03 1bve s LEU 10 CO -0.07 -0.28 0.03 0.68 0.23 0.00 0.00 176.35 176.94 1bve s VAL 11 N -2.00 -0.05 -0.55 -1.59 -7.23 -0.77 -4.89 120.40 103.33 1bve s VAL 11 Ca 0.58 0.17 -0.26 0.00 -1.81 0.00 0.00 61.98 60.66 1bve s VAL 11 Cb -0.12 -0.08 -0.05 0.00 0.56 0.00 0.00 36.38 36.69 1bve s VAL 11 CO 0.17 0.07 2.19 -0.89 -0.31 0.00 0.00 175.10 176.32 1bve s THR 12 N 0.84 3.15 0.20 5.32 2.01 -1.26 -2.20 115.64 123.70 1bve s THR 12 Ca -0.07 0.08 -0.12 0.00 0.31 0.00 0.00 61.69 61.89 1bve s THR 12 Cb -0.10 -3.39 -0.07 0.00 0.01 0.00 0.00 72.50 68.95 1bve s THR 12 CO -0.02 -0.38 0.56 0.27 -0.69 0.00 0.00 174.62 174.35 1bve s ILE 13 N 11.00 4.89 -0.37 1.82 -4.36 -0.84 -4.19 121.20 129.16 1bve s ILE 13 Ca 0.85 0.64 -0.08 0.00 -0.26 0.00 0.00 60.65 61.80 1bve s ILE 13 Cb -0.15 -3.66 0.05 0.00 1.25 0.00 0.00 42.46 39.95 1bve s ILE 13 CO 0.23 0.05 0.18 -0.75 0.24 0.00 0.00 174.94 174.89 1bve s LYS 14 N -2.47 2.62 -0.17 0.37 2.20 -0.83 -2.60 119.74 118.87 1bve s LYS 14 Ca 0.44 -1.28 0.01 0.00 -0.36 0.00 0.00 55.97 54.77 1bve s LYS 14 Cb -0.13 -3.61 0.03 0.00 -1.51 0.00 0.00 37.83 32.60 1bve s LYS 14 CO 0.20 -0.78 -0.15 0.42 -0.36 0.00 0.00 175.35 174.68 1bve s ILE 15 N 1.42 1.76 -1.25 5.43 1.01 -1.03 -2.06 121.20 126.48 1bve s ILE 15 Ca 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1bve s ILE 15 Cb -0.21 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.61 1bve s ILE 15 CO 0.03 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.01 1bve n GLY 16 N 4.70 1.16 1.89 6.18 0.00 -1.26 -1.43 105.19 116.44 1bve n GLY 16 Ca -0.18 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.46 1.65 2.09 -0.02 0.00 -1.26 -4.86 105.19 101.32 1bve n GLY 17 Ca -0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 1bve n GLY 17 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bve n GLN 18 N -2.00 -0.17 -3.66 1.61 6.02 -0.51 -5.06 117.38 113.62 1bve n GLN 18 Ca 0.00 -1.32 -0.08 0.00 -0.01 0.00 0.00 57.00 55.59 1bve n GLN 18 Cb 0.00 -0.52 -0.09 0.00 1.02 0.00 0.00 30.24 30.65 1bve n GLN 18 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1bve s LEU 19 N 0.00 -0.65 0.13 1.08 1.43 -1.26 -2.46 118.68 116.96 1bve s LEU 19 Ca 0.38 0.99 0.02 0.00 -1.03 0.00 0.00 54.13 54.49 1bve s LEU 19 Cb -0.02 1.35 -0.04 0.00 0.03 0.00 0.00 46.19 47.51 1bve s LEU 19 CO 0.26 -0.23 -0.05 -0.54 0.23 0.00 0.00 176.35 176.02 1bve s LYS 20 N 2.61 0.97 -0.15 1.70 -0.14 -1.07 -4.95 119.74 118.71 1bve s LYS 20 Ca -0.02 -1.43 -0.29 0.00 -1.36 0.00 0.00 55.97 52.87 1bve s LYS 20 Cb -0.12 -0.29 -0.01 0.00 -1.68 0.00 0.00 37.83 35.73 1bve s LYS 20 CO -0.13 -0.05 1.06 -1.21 -0.76 0.00 0.00 175.35 174.27 1bve s GLU 21 N -3.85 4.34 -0.24 1.68 2.02 -1.26 -1.99 118.70 119.39 1bve s GLU 21 Ca 0.17 1.43 -0.06 0.00 0.02 0.00 0.00 54.97 56.53 1bve s GLU 21 Cb 0.05 -3.60 -0.02 0.00 0.10 0.00 0.00 34.13 30.66 1bve s GLU 21 CO -0.01 -0.49 0.03 0.00 0.02 0.00 0.00 175.26 174.81 1bve s ALA 22 N 2.63 3.02 -0.69 5.21 0.00 -0.93 -4.27 121.76 126.71 1bve s ALA 22 Ca 0.48 -1.18 -0.27 0.00 0.00 0.00 0.00 51.96 50.99 1bve s ALA 22 Cb -0.18 -1.94 0.01 0.00 0.00 0.00 0.00 23.12 21.00 1bve s ALA 22 CO 0.13 -0.52 1.55 -1.17 0.00 0.00 0.00 175.76 175.75 1bve s LEU 23 N 1.55 3.22 -0.82 0.00 2.96 0.27 -1.84 118.68 124.02 1bve s LEU 23 Ca 0.06 -0.14 -0.25 0.00 -0.22 0.00 0.00 54.13 53.58 1bve s LEU 23 Cb -0.15 -2.55 -0.19 0.00 0.50 0.00 0.00 46.19 43.81 1bve s LEU 23 CO 0.01 -2.08 2.48 0.18 -1.32 0.00 0.00 176.35 175.62 1bve n LEU 24 N 10.91 0.78 -4.36 -0.68 4.77 -1.04 -3.01 117.00 124.37 1bve n LEU 24 Ca 0.12 -0.39 -0.46 0.00 -0.03 0.00 0.00 56.01 55.25 1bve n LEU 24 Cb 0.50 -1.15 -0.04 0.00 -2.33 0.00 0.00 43.42 40.41 1bve n LEU 24 CO 0.71 -1.38 0.43 -0.62 -1.33 0.00 0.00 177.39 175.20 1bve s ASP 25 N 8.60 6.42 0.00 -1.43 -1.08 -0.54 -4.79 116.67 123.86 1bve s ASP 25 Ca 1.18 -1.99 0.22 0.00 -0.52 0.00 0.00 52.55 51.44 1bve s ASP 25 Cb -0.71 -2.27 1.16 0.00 -1.46 0.00 0.00 42.92 39.65 1bve s ASP 25 CO 0.38 -0.88 1.70 0.41 0.52 0.00 0.00 175.17 177.30 1bve n THR 26 N 4.98 0.25 0.07 1.71 -1.04 -1.26 -2.62 114.28 116.36 1bve n THR 26 Ca 0.01 0.06 -0.01 0.00 -2.04 0.00 0.00 64.05 62.08 1bve n THR 26 Cb 0.44 -0.70 -0.06 0.00 -1.82 0.00 0.00 70.33 68.19 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 3.57 0.00 -2.00 3.41 0.00 -1.88 -3.46 103.07 102.71 1bve h GLY 27 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 1bve h GLY 27 CO 0.00 0.00 0.06 0.00 0.00 0.00 0.00 176.54 176.60 1bve s ALA 28 N -2.89 3.47 -0.60 3.60 0.00 -1.08 -5.00 121.76 119.26 1bve s ALA 28 Ca -0.00 -0.71 0.21 0.00 0.00 0.00 0.00 51.96 51.45 1bve s ALA 28 Cb 0.08 -2.46 -0.26 0.00 0.00 0.00 0.00 23.12 20.48 1bve s ALA 28 CO 0.79 -0.46 0.71 -0.25 0.00 0.00 0.00 175.76 176.56 1bve n ASP 29 N -2.28 0.65 -1.91 0.00 9.92 -1.26 -1.72 116.55 119.96 1bve n ASP 29 Ca 0.01 -0.60 -0.06 0.00 -0.53 0.00 0.00 54.79 53.62 1bve n ASP 29 Cb 0.56 1.38 -0.02 0.00 -0.64 0.00 0.00 41.12 42.41 1bve n ASP 29 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1bve n ASP 30 N -1.78 0.73 -4.11 -2.24 9.92 -1.26 -0.93 116.55 116.88 1bve n ASP 30 Ca 0.01 -1.51 -0.37 0.00 -0.53 0.00 0.00 54.79 52.39 1bve n ASP 30 Cb 0.41 0.27 -0.08 0.00 -0.64 0.00 0.00 41.12 41.08 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 -1.99 4.04 0.95 -3.53 2.01 -1.15 0.12 115.64 116.09 1bve s THR 31 Ca 0.06 -3.22 -0.13 0.00 0.31 0.00 0.00 61.69 58.72 1bve s THR 31 Cb 0.00 -3.58 0.16 0.00 0.01 0.00 0.00 72.50 69.09 1bve s THR 31 CO 0.04 -0.95 1.13 0.54 -0.69 0.00 0.00 174.62 174.69 1bve s VAL 32 N -0.45 1.98 -0.30 3.82 0.11 -0.35 -1.03 120.40 124.19 1bve s VAL 32 Ca 0.20 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.13 1bve s VAL 32 Cb -0.16 -2.67 0.13 0.00 -1.53 0.00 0.00 36.38 32.16 1bve s VAL 32 CO -0.06 0.00 0.78 -0.76 -3.33 0.00 0.00 175.10 171.72 1bve s LEU 33 N -6.20 -0.91 0.65 2.54 1.02 0.16 -1.48 118.68 114.46 1bve s LEU 33 Ca 0.65 1.29 -0.18 0.00 0.02 0.00 0.00 54.13 55.91 1bve s LEU 33 Cb -0.15 2.09 -0.15 0.00 0.02 0.00 0.00 46.19 48.00 1bve s LEU 33 CO 0.55 -0.18 -0.30 1.21 0.02 0.00 0.00 176.35 177.64 1bve n GLU 34 N 5.03 0.01 -1.42 1.70 2.13 -1.12 -2.60 120.64 124.37 1bve n GLU 34 Ca -0.13 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.30 1bve n GLU 34 Cb 0.52 -1.02 0.02 0.00 0.27 0.00 0.00 31.44 31.23 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 1.74 0.45 -3.53 5.31 2.13 0.43 -4.51 120.64 122.65 1bve n GLU 35 Ca 0.05 0.17 -0.09 0.00 0.66 0.00 0.00 57.16 57.95 1bve n GLU 35 Cb 0.50 -1.48 -0.03 0.00 0.27 0.00 0.00 31.44 30.70 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 -1.64 0.73 -1.13 5.31 0.23 -1.26 -4.98 119.30 116.55 1bve s MET 36 Ca 0.64 -0.14 -0.21 0.00 -1.03 0.00 0.00 55.69 54.95 1bve s MET 36 Cb -0.54 0.34 0.05 0.00 -1.53 0.00 0.00 34.83 33.15 1bve s MET 36 CO 0.58 -0.29 1.60 0.45 -2.03 0.00 0.00 175.02 175.33 1bve s SER 37 N -2.02 6.54 -0.32 -1.18 0.15 -1.26 -4.94 113.70 110.66 1bve s SER 37 Ca 0.03 -1.83 -0.11 0.00 0.70 0.00 0.00 55.95 54.74 1bve s SER 37 Cb -0.01 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 61.72 1bve s SER 37 CO -0.05 -1.47 0.18 -0.22 1.20 0.00 0.00 173.24 172.88 1bve s LEU 38 N 5.07 4.27 -0.07 3.45 2.96 -1.26 -5.01 118.68 128.09 1bve s LEU 38 Ca 0.51 -0.53 -0.30 0.00 -0.22 0.00 0.00 54.13 53.59 1bve s LEU 38 Cb 0.01 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 1bve s LEU 38 CO -0.02 -0.22 1.13 -2.16 -1.32 0.00 0.00 176.35 173.77 1bve s PRO 39 N 1.64 4.38 0.00 0.98 0.04 -1.26 -4.93 135.00 135.85 1bve s PRO 39 Ca 0.05 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1bve s PRO 39 Cb -0.17 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.82 1bve s PRO 39 CO 0.07 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.12 1bve n GLY 40 N 3.27 4.22 3.74 0.56 0.00 -1.26 -4.99 105.19 110.73 1bve n GLY 40 Ca 0.10 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.09 2.45 0.30 1.61 1.81 -1.26 -5.03 118.95 115.74 1bve s ARG 41 Ca 0.00 1.74 -0.16 0.00 -1.72 0.00 0.00 55.73 55.59 1bve s ARG 41 Cb 0.00 -1.87 0.02 0.00 -0.45 0.00 0.00 34.95 32.65 1bve s ARG 41 CO 0.00 -1.59 0.64 1.67 -0.68 0.00 0.00 175.30 175.34 1bve s TRP 42 N -1.90 0.14 -0.02 -0.53 1.48 -1.26 -4.79 118.94 112.05 1bve s TRP 42 Ca 0.75 -0.60 0.03 0.00 -1.06 0.00 0.00 56.10 55.22 1bve s TRP 42 Cb -0.29 0.52 -0.00 0.00 -1.16 0.00 0.00 33.47 32.54 1bve s TRP 42 CO 0.41 -1.23 -0.10 0.15 -4.06 0.00 0.00 176.95 172.13 1bve s LYS 43 N -3.56 0.98 0.20 3.25 1.02 -1.14 -4.93 119.74 115.56 1bve s LYS 43 Ca 0.17 -0.35 -0.30 0.00 0.02 0.00 0.00 55.97 55.51 1bve s LYS 43 Cb -0.04 -0.92 -0.08 0.00 -0.52 0.00 0.00 37.83 36.28 1bve s LYS 43 CO 0.10 0.17 1.00 -1.25 -0.92 0.00 0.00 175.35 174.44 1bve s PRO 44 N 0.01 4.74 0.12 -1.68 0.04 -1.26 -0.05 135.00 136.92 1bve s PRO 44 Ca -0.00 1.57 -0.04 0.00 0.04 0.00 0.00 61.00 62.56 1bve s PRO 44 Cb -0.07 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.19 1bve s PRO 44 CO 0.00 0.31 0.23 0.36 0.04 0.00 0.00 177.00 177.94 1bve n LYS 45 N 1.97 0.33 -3.83 4.56 2.85 -1.00 -4.92 118.16 118.13 1bve n LYS 45 Ca 0.00 -0.65 -0.13 0.00 -1.05 0.00 0.00 58.31 56.48 1bve n LYS 45 Cb 0.47 0.81 -0.14 0.00 -0.65 0.00 0.00 35.03 35.53 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 -2.03 0.06 0.18 -1.58 -1.94 -1.26 -1.15 119.30 111.58 1bve s MET 46 Ca 0.05 0.13 -0.02 0.00 -1.71 0.00 0.00 55.69 54.13 1bve s MET 46 Cb -0.01 -0.03 -0.05 0.00 2.01 0.00 0.00 34.83 36.75 1bve s MET 46 CO 0.03 -0.05 0.39 0.96 -0.01 0.00 0.00 175.02 176.35 1bve s ILE 47 N 0.29 5.18 -0.22 2.53 -4.36 -1.05 -4.85 121.20 118.72 1bve s ILE 47 Ca -0.02 -0.18 0.01 0.00 -0.26 0.00 0.00 60.65 60.19 1bve s ILE 47 Cb -0.03 -3.69 0.03 0.00 1.25 0.00 0.00 42.46 40.02 1bve s ILE 47 CO -0.01 -0.10 -0.14 -0.83 0.24 0.00 0.00 174.94 174.10 1bve s GLY 48 N -2.88 1.52 0.00 6.27 0.00 -1.26 -2.08 107.32 108.90 1bve s GLY 48 Ca 0.40 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1bve s GLY 48 CO 0.27 0.43 0.00 0.61 0.00 0.00 0.00 173.10 174.41 1bve n GLY 49 N 4.59 3.72 3.67 0.20 0.00 -1.01 -5.00 105.19 111.36 1bve n GLY 49 Ca -0.18 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 1bve n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bve s ILE 50 N 2.58 4.95 0.00 -0.61 1.01 -1.26 -3.84 121.20 124.03 1bve s ILE 50 Ca 0.00 1.43 0.00 0.00 0.00 0.00 0.00 60.65 62.08 1bve s ILE 50 Cb 0.00 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.42 1bve s ILE 50 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1bve n GLY 51 N 3.58 0.75 0.00 6.18 0.00 -1.26 -4.91 105.19 109.53 1bve n GLY 51 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.00 0.66 3.52 -0.02 0.00 -1.25 -5.05 105.19 101.05 1bve n GLY 52 Ca 0.00 -2.15 -0.32 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.91 2.77 0.48 1.61 0.08 -1.25 -2.42 117.98 118.34 1bve s PHE 53 Ca 0.00 -0.11 0.05 0.00 0.12 0.00 0.00 56.93 56.99 1bve s PHE 53 Cb 0.00 -1.61 0.05 0.00 -0.57 0.00 0.00 43.02 40.89 1bve s PHE 53 CO 0.00 0.27 0.44 0.44 -0.10 0.00 0.00 175.22 176.28 1bve n ILE 54 N 1.96 0.00 -4.12 0.64 -5.35 -0.88 -4.87 119.36 106.74 1bve n ILE 54 Ca -0.17 -1.81 -0.31 0.00 -0.27 0.00 0.00 62.75 60.19 1bve n ILE 54 Cb 0.52 -0.23 -0.07 0.00 -1.74 0.00 0.00 39.64 38.12 1bve n ILE 54 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1bve s LYS 55 N -4.02 2.83 0.34 6.28 1.02 -1.26 -2.53 119.74 122.41 1bve s LYS 55 Ca 0.34 -0.67 -0.04 0.00 0.02 0.00 0.00 55.97 55.61 1bve s LYS 55 Cb -0.03 -2.71 0.02 0.00 -0.52 0.00 0.00 37.83 34.60 1bve s LYS 55 CO 0.21 0.59 0.52 1.33 -0.92 0.00 0.00 175.35 177.08 1bve n VAL 56 N 0.78 0.00 -3.67 3.17 0.24 -0.30 -3.36 118.33 115.19 1bve n VAL 56 Ca -0.11 -1.51 -0.29 0.00 -2.04 0.00 0.00 64.34 60.39 1bve n VAL 56 Cb 0.52 1.01 -0.12 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 -2.60 1.38 -0.58 7.34 0.52 0.29 -2.36 118.95 122.93 1bve s ARG 57 Ca 0.25 -2.22 -0.34 0.00 -0.52 0.00 0.00 55.73 52.89 1bve s ARG 57 Cb -0.02 -2.30 -0.15 0.00 0.52 0.00 0.00 34.95 33.00 1bve s ARG 57 CO 0.18 -1.23 2.36 0.94 0.02 0.00 0.00 175.30 177.57 1bve n GLN 58 N 3.17 0.58 -3.29 3.54 7.27 0.93 -2.80 117.38 126.78 1bve n GLN 58 Ca 0.15 0.11 -0.47 0.00 0.07 0.00 0.00 57.00 56.86 1bve n GLN 58 Cb 0.37 -2.18 -0.02 0.00 2.41 0.00 0.00 30.24 30.82 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 8.35 3.69 0.16 3.69 2.02 -0.72 -2.89 117.35 131.65 1bve s TYR 59 Ca 1.17 -1.92 -0.30 0.00 -0.37 0.00 0.00 57.07 55.65 1bve s TYR 59 Cb -0.97 -3.86 -0.07 0.00 -0.40 0.00 0.00 41.96 36.65 1bve s TYR 59 CO 0.48 -1.04 0.99 -0.51 -1.57 0.00 0.00 175.55 173.90 1bve s ASP 60 N 2.33 7.49 -0.57 2.29 1.01 -1.26 -1.11 116.67 126.83 1bve s ASP 60 Ca 0.19 1.90 -0.03 0.00 0.71 0.00 0.00 52.55 55.32 1bve s ASP 60 Cb -0.10 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.20 1bve s ASP 60 CO -0.09 -0.04 0.51 0.00 0.21 0.00 0.00 175.17 175.76 1bve n GLN 61 N 2.34 -1.19 -4.30 8.23 6.02 -0.34 -4.94 117.38 123.21 1bve n GLN 61 Ca 0.01 0.66 -0.31 0.00 -0.01 0.00 0.00 57.00 57.35 1bve n GLN 61 Cb 0.48 -4.05 -0.16 0.00 1.02 0.00 0.00 30.24 27.53 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 -3.17 1.79 -0.87 5.09 1.01 -0.45 -4.78 121.20 119.81 1bve s ILE 62 Ca 0.20 -0.79 -0.26 0.00 0.00 0.00 0.00 60.65 59.80 1bve s ILE 62 Cb -0.03 -1.63 -0.16 0.00 0.01 0.00 0.00 42.46 40.66 1bve s ILE 62 CO 0.44 0.50 2.32 -0.22 0.00 0.00 0.00 174.94 177.98 1bve s LEU 63 N 1.17 2.73 -0.40 2.97 1.98 -1.26 -2.12 118.68 123.74 1bve s LEU 63 Ca -0.00 -0.25 -0.17 0.00 -2.89 0.00 0.00 54.13 50.82 1bve s LEU 63 Cb -0.14 -2.56 0.01 0.00 0.66 0.00 0.00 46.19 44.16 1bve s LEU 63 CO -0.07 -4.11 0.46 -0.51 -1.89 0.00 0.00 176.35 170.23 1bve s ILE 64 N 15.35 5.06 -0.18 6.68 2.07 0.59 -4.28 121.20 146.49 1bve s ILE 64 Ca 0.89 -0.14 -0.20 0.00 -1.41 0.00 0.00 60.65 59.79 1bve s ILE 64 Cb -0.11 -4.01 -0.03 0.00 0.13 0.00 0.00 42.46 38.44 1bve s ILE 64 CO 0.10 -0.36 0.58 -0.70 -1.91 0.00 0.00 174.94 172.65 1bve s GLU 65 N 2.23 4.23 -0.18 3.50 2.12 -0.88 -2.41 118.70 127.31 1bve s GLU 65 Ca 0.14 0.54 -0.06 0.00 0.36 0.00 0.00 54.97 55.95 1bve s GLU 65 Cb -0.16 -3.55 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 1bve s GLU 65 CO 0.14 -0.15 0.02 0.42 -0.54 0.00 0.00 175.26 175.14 1bve s ILE 66 N 1.63 4.30 0.00 -3.70 1.09 -1.12 -1.96 121.20 121.45 1bve s ILE 66 Ca 0.27 -0.20 0.00 0.00 -1.10 0.00 0.00 60.65 59.62 1bve s ILE 66 Cb -0.16 -2.93 0.00 0.00 -1.06 0.00 0.00 42.46 38.31 1bve s ILE 66 CO 0.10 0.46 0.00 0.00 -0.10 0.00 0.00 174.94 175.40 1bve n GLY 68 N 0.00 1.84 2.69 0.00 0.00 -1.26 -4.94 105.19 103.52 1bve n GLY 68 Ca 0.00 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.40 0.48 -0.04 1.61 4.02 -0.64 -5.10 115.29 113.23 1bve s HIS 69 Ca 0.21 -0.31 -0.33 0.00 1.02 0.00 0.00 55.06 55.65 1bve s HIS 69 Cb 0.37 -0.76 -0.11 0.00 -1.02 0.00 0.00 32.58 31.06 1bve s HIS 69 CO -0.06 -0.43 1.89 1.17 1.02 0.00 0.00 174.74 178.32 1bve n LYS 70 N 5.20 2.37 -4.14 1.40 0.00 -1.26 -2.79 118.16 118.94 1bve n LYS 70 Ca -0.07 0.87 -0.16 0.00 0.00 0.00 0.00 58.31 58.96 1bve n LYS 70 Cb 0.49 -2.74 -0.11 0.00 0.00 0.00 0.00 35.03 32.66 1bve n LYS 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bve s ALA 71 N 3.94 0.99 0.18 3.14 0.00 -1.01 -4.96 121.76 124.04 1bve s ALA 71 Ca 0.91 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.96 1bve s ALA 71 Cb -0.62 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 1bve s ALA 71 CO 0.48 0.05 -0.17 0.42 0.00 0.00 0.00 175.76 176.54 1bve s ILE 72 N -1.66 1.82 -0.68 0.00 -1.09 -1.26 0.22 121.20 118.55 1bve s ILE 72 Ca -0.02 -2.00 0.00 0.00 -2.23 0.00 0.00 60.65 56.40 1bve s ILE 72 Cb -0.08 -1.90 0.00 0.00 -1.58 0.00 0.00 42.46 38.90 1bve s ILE 72 CO 0.01 -0.38 0.00 0.61 -1.23 0.00 0.00 174.94 173.95 1bve n GLY 73 N 0.10 -0.92 3.37 6.18 0.00 -0.90 -4.81 105.19 108.21 1bve n GLY 73 Ca -0.12 -0.76 -0.45 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.00 5.19 -0.56 2.61 2.01 -1.25 -1.19 115.64 119.44 1bve s THR 74 Ca 0.00 -1.14 -0.19 0.00 0.31 0.00 0.00 61.69 60.67 1bve s THR 74 Cb 0.00 -4.21 0.09 0.00 0.01 0.00 0.00 72.50 68.39 1bve s THR 74 CO 0.00 -0.69 0.66 -0.69 -0.69 0.00 0.00 174.62 173.21 1bve s VAL 75 N 1.74 4.85 -0.40 3.82 1.01 -0.27 -2.96 120.40 128.19 1bve s VAL 75 Ca 0.05 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 1bve s VAL 75 Cb -0.25 -4.41 0.02 0.00 0.00 0.00 0.00 36.38 31.74 1bve s VAL 75 CO 0.06 -0.99 1.16 -0.76 0.00 0.00 0.00 175.10 174.57 1bve s LEU 76 N 2.63 3.76 -0.31 3.92 1.02 -0.19 -1.75 118.68 127.76 1bve s LEU 76 Ca 0.13 0.77 -0.14 0.00 0.02 0.00 0.00 54.13 54.91 1bve s LEU 76 Cb -0.22 -3.55 -0.03 0.00 0.02 0.00 0.00 46.19 42.41 1bve s LEU 76 CO 0.08 -1.13 0.30 -0.69 0.02 0.00 0.00 176.35 174.94 1bve s VAL 77 N 4.26 5.22 0.00 -1.59 1.01 -1.12 0.39 120.40 128.58 1bve s VAL 77 Ca 0.49 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1bve s VAL 77 Cb -0.10 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1bve s VAL 77 CO 0.25 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1bve n GLY 78 N 4.93 3.65 1.53 4.51 0.00 -1.07 0.10 105.19 118.84 1bve n GLY 78 Ca -0.11 -1.20 -0.05 0.00 0.00 0.00 0.00 46.02 44.67 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 1.22 -2.72 1.61 -0.04 -1.21 0.16 135.00 134.02 1bve n PRO 79 Ca 0.00 -0.45 -0.41 0.00 -0.04 0.00 0.00 63.50 62.60 1bve n PRO 79 Cb 0.00 -1.17 -0.04 0.00 -0.04 0.00 0.00 33.50 32.24 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 -0.62 4.51 -1.30 0.52 -1.32 -1.26 -4.89 115.64 111.28 1bve s THR 80 Ca 0.09 2.06 0.00 0.00 -1.21 0.00 0.00 61.69 62.63 1bve s THR 80 Cb 0.07 -4.31 0.00 0.00 -1.51 0.00 0.00 72.50 66.74 1bve s THR 80 CO 0.00 0.30 0.57 -0.81 -2.21 0.00 0.00 174.62 172.47 1bve n PRO 81 N 2.86 0.87 -3.52 7.08 -0.04 -1.26 -3.52 135.00 137.47 1bve n PRO 81 Ca 0.03 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.33 1bve n PRO 81 Cb 0.49 -1.31 -0.05 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.30 0.00 -0.14 0.52 1.01 -1.26 -4.98 120.40 114.25 1bve s VAL 82 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 61.78 1bve s VAL 82 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1bve s VAL 82 CO 0.00 0.00 0.59 0.20 0.00 0.00 0.00 175.10 175.89 1bve s ASN 83 N -1.38 6.75 -0.11 3.32 0.01 -1.26 -2.78 114.94 119.48 1bve s ASN 83 Ca -0.07 0.90 0.00 0.00 -0.71 0.00 0.00 52.86 52.98 1bve s ASN 83 Cb -0.00 -2.34 0.02 0.00 0.41 0.00 0.00 41.25 39.34 1bve s ASN 83 CO 0.05 -0.14 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.76 1bve s ILE 84 N 1.23 1.21 -0.43 0.60 1.01 -0.55 -0.56 121.20 123.71 1bve s ILE 84 Ca 0.30 -0.42 -0.22 0.00 0.00 0.00 0.00 60.65 60.30 1bve s ILE 84 Cb -0.16 -1.17 0.02 0.00 0.01 0.00 0.00 42.46 41.16 1bve s ILE 84 CO 0.12 0.39 0.73 -0.63 0.00 0.00 0.00 174.94 175.56 1bve s ILE 85 N 1.46 4.73 0.00 2.92 1.09 -1.16 -1.20 121.20 129.03 1bve s ILE 85 Ca 0.01 0.42 0.00 0.00 -1.10 0.00 0.00 60.65 59.99 1bve s ILE 85 Cb -0.13 -4.25 0.00 0.00 -1.06 0.00 0.00 42.46 37.02 1bve s ILE 85 CO -0.07 -0.61 0.00 0.61 -0.10 0.00 0.00 174.94 174.78 1bve n GLY 86 N 4.91 0.92 0.18 6.18 0.00 0.32 -1.46 105.19 116.23 1bve n GLY 86 Ca 0.01 -1.87 0.02 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.44 1.61 3.08 -1.18 -1.45 114.38 116.00 1bve h ARG 87 Ca 0.00 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.18 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 0.41 0.42 -2.95 -1.07 0.00 0.00 179.97 176.77 1bve h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.30 -1.53 115.58 118.72 1bve h ASN 88 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.16 1bve h ASN 88 Cb 0.75 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.96 1bve h ASN 88 CO 0.05 0.00 -1.78 0.18 0.07 0.00 0.00 177.43 175.96 1bve n LEU 89 N -3.90 0.14 0.23 6.14 7.99 -1.02 -4.26 117.00 122.32 1bve n LEU 89 Ca 0.08 -0.00 0.07 0.00 -0.01 0.00 0.00 56.01 56.14 1bve n LEU 89 Cb 0.61 0.24 0.58 0.00 -0.11 0.00 0.00 43.42 44.73 1bve n LEU 89 CO 0.30 0.30 1.02 -0.07 -1.51 0.00 0.00 177.39 177.43 1bve h LEU 90 N 0.00 0.03 -0.21 2.23 3.38 -0.74 0.80 115.31 120.80 1bve h LEU 90 Ca -0.31 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1bve h LEU 90 Cb 1.69 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 1bve h LEU 90 CO 0.01 0.09 -0.18 0.71 0.09 0.00 0.00 178.44 179.16 1bve h THR 91 N 0.04 0.33 -0.22 0.22 1.35 -1.51 -0.91 112.91 112.21 1bve h THR 91 Ca 0.01 -1.37 -0.19 0.00 -0.55 0.00 0.00 66.41 64.31 1bve h THR 91 Cb 0.11 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1bve h THR 91 CO 0.01 0.18 -0.60 1.56 -0.25 0.00 0.00 175.52 176.42 1bve h GLN 92 N 0.00 0.79 -0.00 4.72 1.08 -1.04 -2.93 115.11 117.74 1bve h GLN 92 Ca -0.00 -0.56 0.00 0.00 -1.45 0.00 0.00 58.65 56.64 1bve h GLN 92 Cb 1.07 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 1bve h GLN 92 CO 0.02 1.18 -0.32 0.44 -0.95 0.00 0.00 178.83 179.20 1bve n ILE 93 N -4.04 0.00 -2.87 2.54 -5.35 -0.89 -4.96 119.36 103.79 1bve n ILE 93 Ca -0.06 -0.04 -0.10 0.00 -0.27 0.00 0.00 62.75 62.28 1bve n ILE 93 Cb 0.65 0.13 0.05 0.00 -1.74 0.00 0.00 39.64 38.73 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 1.43 -0.79 3.91 3.28 0.00 -0.44 -4.97 105.19 107.61 1bve n GLY 94 Ca 0.08 0.40 -0.28 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.27 3.45 -0.05 4.61 0.00 -0.63 -5.03 121.76 120.85 1bve s ALA 95 Ca 0.31 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1bve s ALA 95 Cb -0.04 -2.52 0.02 0.00 0.00 0.00 0.00 23.12 20.59 1bve s ALA 95 CO 0.59 -0.19 -0.03 0.95 0.00 0.00 0.00 175.76 177.08 1bve s THR 96 N -2.56 0.43 -0.75 0.00 -4.23 -1.26 -4.95 115.64 102.32 1bve s THR 96 Ca 0.47 -0.03 -0.19 0.00 -1.18 0.00 0.00 61.69 60.75 1bve s THR 96 Cb -0.10 -0.50 0.11 0.00 1.34 0.00 0.00 72.50 73.35 1bve s THR 96 CO 0.40 0.22 0.93 -0.76 -0.54 0.00 0.00 174.62 174.87 1bve s LEU 97 N 1.16 5.09 -0.16 4.79 1.02 -1.26 -5.01 118.68 124.32 1bve s LEU 97 Ca -0.07 -1.62 -0.05 0.00 0.02 0.00 0.00 54.13 52.41 1bve s LEU 97 Cb -0.14 -2.36 -0.03 0.00 0.02 0.00 0.00 46.19 43.68 1bve s LEU 97 CO -0.01 -1.15 0.00 0.20 0.02 0.00 0.00 176.35 175.41 1bve s ASN 98 N 3.53 5.16 0.00 2.29 0.02 -1.26 -5.32 114.94 119.37 1bve s ASN 98 Ca 0.22 -0.01 0.00 0.00 -1.02 0.00 0.00 52.86 52.05 1bve s ASN 98 Cb -0.14 -1.81 0.00 0.00 0.02 0.00 0.00 41.25 39.32 1bve s ASN 98 CO 0.01 0.20 0.00 2.22 0.02 0.00 0.00 177.10 179.55