#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 4.20 -0.38 0.54 0.74 -1.26 -4.99 119.66 118.50 1bve s GLN 2 Ca 0.00 1.01 0.01 0.00 0.05 0.00 0.00 55.36 56.43 1bve s GLN 2 Cb 0.00 -3.64 0.12 0.00 1.10 0.00 0.00 33.01 30.59 1bve s GLN 2 CO 0.00 -0.53 0.17 0.08 -0.55 0.00 0.00 175.29 174.45 1bve s VAL 3 N 2.89 1.34 0.02 1.34 1.01 -1.26 -5.01 120.40 120.72 1bve s VAL 3 Ca 0.36 -2.14 -0.04 0.00 0.00 0.00 0.00 61.98 60.17 1bve s VAL 3 Cb -0.15 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 1bve s VAL 3 CO 0.07 -0.78 1.06 0.71 0.00 0.00 0.00 175.10 176.16 1bve h THR 4 N 5.85 0.00 0.00 3.92 1.35 -1.99 -3.46 112.91 118.58 1bve h THR 4 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1bve h THR 4 Cb 0.97 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1bve h THR 4 CO 0.49 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.76 1bve n LEU 5 N -3.25 0.00 0.22 3.87 -0.00 -1.26 -5.00 117.00 111.58 1bve n LEU 5 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.15 1bve n LEU 5 Cb 0.03 0.00 0.55 0.00 -0.00 0.00 0.00 43.42 44.00 1bve n LEU 5 CO -0.02 0.00 1.12 -0.50 -0.00 0.00 0.00 177.39 178.00 1bve h TRP 6 N 0.00 0.00 0.00 1.47 4.06 -2.04 -3.40 115.95 116.04 1bve h TRP 6 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1bve h TRP 6 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1bve h TRP 6 CO 0.00 0.00 0.00 1.04 -3.56 0.00 0.00 178.44 175.92 1bve n GLN 7 N -3.00 0.00 -4.59 0.49 1.13 -1.26 -5.12 117.38 105.02 1bve n GLN 7 Ca 0.04 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 54.76 1bve n GLN 7 Cb 0.73 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 30.95 1bve n GLN 7 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1bve s ARG 8 N 3.88 3.25 -0.29 -1.09 0.52 -1.26 -4.99 118.95 118.97 1bve s ARG 8 Ca 0.00 -0.58 -0.07 0.00 -0.52 0.00 0.00 55.73 54.56 1bve s ARG 8 Cb 0.00 -2.71 -0.24 0.00 0.52 0.00 0.00 34.95 32.52 1bve s ARG 8 CO 0.00 0.39 3.51 -0.35 0.02 0.00 0.00 175.30 178.86 1bve n PRO 9 N 3.06 2.30 -2.57 3.54 -0.04 -1.26 -4.92 135.00 135.10 1bve n PRO 9 Ca -0.18 -1.21 -0.30 0.00 -0.04 0.00 0.00 63.50 61.78 1bve n PRO 9 Cb 0.53 -2.14 -0.02 0.00 -0.04 0.00 0.00 33.50 31.83 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 0.03 3.64 -0.14 1.53 1.43 -1.26 -2.79 118.68 121.13 1bve s LEU 10 Ca 0.67 1.18 -0.08 0.00 -1.03 0.00 0.00 54.13 54.87 1bve s LEU 10 Cb 0.29 -4.12 0.05 0.00 0.03 0.00 0.00 46.19 42.44 1bve s LEU 10 CO -0.01 -0.55 0.33 0.68 0.23 0.00 0.00 176.35 177.03 1bve s VAL 11 N -2.65 -0.03 -0.71 -1.59 -7.23 -0.93 -4.92 120.40 102.35 1bve s VAL 11 Ca 0.52 0.10 -0.26 0.00 -1.81 0.00 0.00 61.98 60.53 1bve s VAL 11 Cb -0.10 -0.49 -0.07 0.00 0.56 0.00 0.00 36.38 36.27 1bve s VAL 11 CO 0.39 0.04 2.16 -0.89 -0.31 0.00 0.00 175.10 176.49 1bve s THR 12 N 1.14 3.21 0.39 5.32 2.01 -1.26 -2.07 115.64 124.37 1bve s THR 12 Ca -0.08 -0.05 -0.16 0.00 0.31 0.00 0.00 61.69 61.71 1bve s THR 12 Cb -0.08 -3.50 -0.09 0.00 0.01 0.00 0.00 72.50 68.84 1bve s THR 12 CO -0.09 -0.48 0.84 0.27 -0.69 0.00 0.00 174.62 174.47 1bve s ILE 13 N 11.58 4.60 -0.46 1.82 -4.36 -0.95 -4.57 121.20 128.86 1bve s ILE 13 Ca 0.82 1.08 -0.00 0.00 -0.26 0.00 0.00 60.65 62.29 1bve s ILE 13 Cb -0.12 -3.64 0.12 0.00 1.25 0.00 0.00 42.46 40.07 1bve s ILE 13 CO 0.13 -0.35 0.24 -0.75 0.24 0.00 0.00 174.94 174.45 1bve s LYS 14 N -3.34 2.02 0.02 0.37 2.20 -1.01 -2.82 119.74 117.19 1bve s LYS 14 Ca 0.57 -2.12 0.07 0.00 -0.36 0.00 0.00 55.97 54.12 1bve s LYS 14 Cb -0.10 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 1bve s LYS 14 CO 0.20 -1.07 -0.19 0.42 -0.36 0.00 0.00 175.35 174.35 1bve s ILE 15 N 0.59 2.67 -1.40 5.43 1.01 -0.83 -2.09 121.20 126.59 1bve s ILE 15 Ca 0.12 -1.14 -0.02 0.00 0.00 0.00 0.00 60.65 59.61 1bve s ILE 15 Cb -0.22 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.17 1bve s ILE 15 CO -0.04 0.40 0.39 0.61 0.00 0.00 0.00 174.94 176.29 1bve n GLY 16 N 1.77 -0.27 4.01 6.18 0.00 -1.26 -0.44 105.19 115.18 1bve n GLY 16 Ca -0.16 0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.06 -0.30 3.22 -0.02 0.00 -1.26 -4.83 105.19 99.94 1bve n GLY 17 Ca -0.30 0.15 -0.09 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 -6.64 0.94 -0.05 1.61 -0.21 0.42 -5.10 119.66 110.63 1bve s GLN 18 Ca 0.24 -1.19 0.03 0.00 0.02 0.00 0.00 55.36 54.45 1bve s GLN 18 Cb -0.13 0.31 0.01 0.00 1.00 0.00 0.00 33.01 34.20 1bve s GLN 18 CO 0.89 -0.30 -0.11 -0.51 -2.12 0.00 0.00 175.29 173.14 1bve s LEU 19 N -2.95 1.71 0.34 2.90 1.02 -1.26 -1.96 118.68 118.48 1bve s LEU 19 Ca 0.14 -0.25 -0.06 0.00 0.02 0.00 0.00 54.13 53.97 1bve s LEU 19 Cb 0.05 -0.72 0.01 0.00 0.02 0.00 0.00 46.19 45.55 1bve s LEU 19 CO -0.04 0.06 0.55 -0.54 0.02 0.00 0.00 176.35 176.40 1bve s LYS 20 N 0.41 1.95 -0.28 1.70 1.02 -1.13 -4.99 119.74 118.42 1bve s LYS 20 Ca -0.08 -1.64 -0.17 0.00 0.02 0.00 0.00 55.97 54.10 1bve s LYS 20 Cb -0.12 0.49 -0.03 0.00 -0.52 0.00 0.00 37.83 37.65 1bve s LYS 20 CO 0.02 -0.84 0.46 -1.21 -0.92 0.00 0.00 175.35 172.87 1bve s GLU 21 N -2.98 3.96 -0.02 1.68 2.02 -1.26 -2.23 118.70 119.87 1bve s GLU 21 Ca 0.26 0.12 -0.07 0.00 0.02 0.00 0.00 54.97 55.30 1bve s GLU 21 Cb -0.02 -3.68 -0.05 0.00 0.10 0.00 0.00 34.13 30.48 1bve s GLU 21 CO 0.17 -0.38 0.25 0.00 0.02 0.00 0.00 175.26 175.32 1bve s ALA 22 N 2.24 3.85 -0.61 5.21 0.00 -0.88 -4.32 121.76 127.24 1bve s ALA 22 Ca 0.18 -0.57 -0.08 0.00 0.00 0.00 0.00 51.96 51.50 1bve s ALA 22 Cb -0.16 -2.06 0.16 0.00 0.00 0.00 0.00 23.12 21.06 1bve s ALA 22 CO 0.10 0.64 0.47 -1.17 0.00 0.00 0.00 175.76 175.80 1bve s LEU 23 N -1.56 5.74 -0.42 0.00 2.96 -0.39 -2.19 118.68 122.82 1bve s LEU 23 Ca 0.25 -2.45 -0.40 0.00 -0.22 0.00 0.00 54.13 51.30 1bve s LEU 23 Cb -0.13 -1.99 -0.16 0.00 0.50 0.00 0.00 46.19 44.41 1bve s LEU 23 CO 0.14 -0.54 2.08 0.18 -1.32 0.00 0.00 176.35 176.89 1bve n LEU 24 N 4.14 1.50 -3.74 -0.68 4.77 -1.12 -3.11 117.00 118.76 1bve n LEU 24 Ca 0.03 0.66 -0.28 0.00 -0.03 0.00 0.00 56.01 56.39 1bve n LEU 24 Cb 0.41 -1.07 -0.11 0.00 -2.33 0.00 0.00 43.42 40.32 1bve n LEU 24 CO 0.37 -0.72 -0.12 -0.62 -1.33 0.00 0.00 177.39 174.97 1bve s ASP 25 N 6.03 3.77 0.60 -1.43 2.15 -0.76 -4.85 116.67 122.18 1bve s ASP 25 Ca 1.13 -3.62 0.28 0.00 0.43 0.00 0.00 52.55 50.76 1bve s ASP 25 Cb -1.20 -1.26 1.55 0.00 -0.30 0.00 0.00 42.92 41.70 1bve s ASP 25 CO 0.60 -0.11 1.86 0.74 -0.17 0.00 0.00 175.17 178.09 1bve h THR 26 N 4.45 0.00 -0.28 1.71 2.02 -1.89 -0.76 112.91 118.17 1bve h THR 26 Ca 0.19 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.41 1bve h THR 26 Cb 0.80 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 1bve h THR 26 CO 0.61 0.00 0.05 1.23 0.37 0.00 0.00 175.52 177.78 1bve h GLY 27 N 0.00 0.30 -1.71 2.16 0.00 -1.90 -3.40 103.07 98.51 1bve h GLY 27 Ca 0.00 -0.01 -0.49 0.00 0.00 0.00 0.00 47.33 46.83 1bve h GLY 27 CO 0.00 -0.02 0.38 0.00 0.00 0.00 0.00 176.54 176.90 1bve s ALA 28 N -6.18 2.82 -1.47 3.60 0.00 -0.29 -4.94 121.76 115.29 1bve s ALA 28 Ca -0.13 0.33 0.23 0.00 0.00 0.00 0.00 51.96 52.39 1bve s ALA 28 Cb 0.11 -3.20 0.11 0.00 0.00 0.00 0.00 23.12 20.14 1bve s ALA 28 CO 0.70 -0.69 1.14 -0.25 0.00 0.00 0.00 175.76 176.66 1bve n ASP 29 N -1.98 1.28 -3.90 0.00 9.92 -1.26 -1.49 116.55 119.12 1bve n ASP 29 Ca 0.08 -1.05 -0.24 0.00 -0.53 0.00 0.00 54.79 53.05 1bve n ASP 29 Cb 0.53 0.58 -0.08 0.00 -0.64 0.00 0.00 41.12 41.51 1bve n ASP 29 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1bve s ASP 30 N -2.74 2.55 -0.78 -2.24 2.15 -1.26 -1.08 116.67 113.28 1bve s ASP 30 Ca 0.15 -1.72 -0.10 0.00 0.43 0.00 0.00 52.55 51.31 1bve s ASP 30 Cb 0.17 0.56 0.20 0.00 -0.30 0.00 0.00 42.92 43.56 1bve s ASP 30 CO 0.69 -0.99 0.68 -0.89 -0.17 0.00 0.00 175.17 174.49 1bve s THR 31 N -3.26 4.99 1.04 1.71 2.01 -1.17 0.25 115.64 121.21 1bve s THR 31 Ca 0.27 -2.71 -0.14 0.00 0.31 0.00 0.00 61.69 59.43 1bve s THR 31 Cb 0.02 -4.12 0.21 0.00 0.01 0.00 0.00 72.50 68.62 1bve s THR 31 CO 0.18 -0.99 1.10 0.54 -0.69 0.00 0.00 174.62 174.76 1bve s VAL 32 N -0.01 1.93 -0.30 3.82 0.11 0.21 -0.83 120.40 125.33 1bve s VAL 32 Ca 0.18 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.08 1bve s VAL 32 Cb -0.13 -2.50 0.16 0.00 -1.53 0.00 0.00 36.38 32.38 1bve s VAL 32 CO -0.07 0.00 1.00 -0.76 -3.33 0.00 0.00 175.10 171.94 1bve s LEU 33 N -6.56 -0.55 1.00 2.54 1.02 0.31 -1.28 118.68 115.16 1bve s LEU 33 Ca 0.67 0.77 -0.17 0.00 0.02 0.00 0.00 54.13 55.42 1bve s LEU 33 Cb -0.17 1.65 -0.13 0.00 0.02 0.00 0.00 46.19 47.56 1bve s LEU 33 CO 0.57 -0.11 -0.71 1.21 0.02 0.00 0.00 176.35 177.33 1bve n GLU 34 N 4.78 -0.04 -1.48 1.70 2.13 -1.12 -1.92 120.64 124.69 1bve n GLU 34 Ca -0.10 -0.01 -0.40 0.00 0.66 0.00 0.00 57.16 57.31 1bve n GLU 34 Cb 0.53 -1.10 0.02 0.00 0.27 0.00 0.00 31.44 31.17 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 2.02 0.68 -0.20 5.31 2.13 0.42 -4.30 120.64 126.70 1bve n GLU 35 Ca -0.01 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.06 1bve n GLU 35 Cb 0.57 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 30.61 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 0.29 0.00 -3.64 5.31 0.00 -1.26 -4.96 117.12 112.86 1bve n MET 36 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 57.70 57.42 1bve n MET 36 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.54 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 1.39 5.54 0.50 3.17 0.15 -1.26 -5.06 113.70 118.13 1bve s SER 37 Ca 0.00 -1.83 0.01 0.00 0.70 0.00 0.00 55.95 54.84 1bve s SER 37 Cb 0.00 -1.95 -0.01 0.00 -1.71 0.00 0.00 66.02 62.35 1bve s SER 37 CO 0.00 -0.60 0.02 -0.76 1.20 0.00 0.00 173.24 173.09 1bve s LEU 38 N 1.31 2.24 0.00 3.45 1.02 -1.26 -4.64 118.68 120.80 1bve s LEU 38 Ca 0.05 -1.67 0.00 0.00 0.02 0.00 0.00 54.13 52.53 1bve s LEU 38 Cb -0.24 -0.65 0.00 0.00 0.02 0.00 0.00 46.19 45.31 1bve s LEU 38 CO -0.01 -0.88 0.00 -0.81 0.02 0.00 0.00 176.35 174.67 1bve n PRO 39 N -1.24 1.27 -0.79 1.29 -0.04 -1.26 -4.99 135.00 129.25 1bve n PRO 39 Ca -0.18 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.24 1bve n PRO 39 Cb 0.67 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 34.33 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 4.88 4.92 2.74 0.55 0.00 -1.26 -4.75 105.19 112.28 1bve n GLY 40 Ca 0.00 -1.23 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.12 4.69 -4.28 1.61 1.74 -1.26 -4.99 116.66 113.05 1bve n ARG 41 Ca 0.32 -4.72 -0.19 0.00 -0.77 0.00 0.00 57.85 52.49 1bve n ARG 41 Cb 1.00 -2.40 -0.08 0.00 -1.02 0.00 0.00 32.46 29.96 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 -3.95 1.68 -0.00 -1.55 1.48 -1.26 -3.45 118.94 111.88 1bve s TRP 42 Ca 0.41 -1.61 0.02 0.00 -1.06 0.00 0.00 56.10 53.86 1bve s TRP 42 Cb 0.21 -0.71 -0.01 0.00 -1.16 0.00 0.00 33.47 31.80 1bve s TRP 42 CO -0.12 -0.82 -0.06 0.15 -4.06 0.00 0.00 176.95 172.05 1bve s LYS 43 N -3.56 0.46 0.01 3.25 3.01 -1.06 -4.92 119.74 116.93 1bve s LYS 43 Ca 0.40 -0.24 -0.30 0.00 -1.01 0.00 0.00 55.97 54.81 1bve s LYS 43 Cb 0.03 -0.42 -0.04 0.00 -1.01 0.00 0.00 37.83 36.39 1bve s LYS 43 CO 0.25 0.11 1.04 -1.25 0.51 0.00 0.00 175.35 176.02 1bve s PRO 44 N -0.25 4.52 -0.22 -1.68 0.04 -1.26 -0.76 135.00 135.38 1bve s PRO 44 Ca 0.01 1.52 -0.26 0.00 0.04 0.00 0.00 61.00 62.30 1bve s PRO 44 Cb -0.03 -3.43 0.08 0.00 0.04 0.00 0.00 34.50 31.16 1bve s PRO 44 CO -0.00 -0.12 0.79 -1.59 0.04 0.00 0.00 177.00 176.12 1bve s LYS 45 N 1.07 0.81 0.05 4.56 -2.85 -0.98 -4.95 119.74 117.45 1bve s LYS 45 Ca 0.54 0.73 0.03 0.00 -1.00 0.00 0.00 55.97 56.27 1bve s LYS 45 Cb -0.23 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 35.89 1bve s LYS 45 CO 0.28 -0.14 0.02 0.00 0.10 0.00 0.00 175.35 175.61 1bve s MET 46 N -0.05 2.73 0.07 1.78 0.23 -1.26 -1.20 119.30 121.61 1bve s MET 46 Ca -0.02 -0.71 0.02 0.00 -1.03 0.00 0.00 55.69 53.96 1bve s MET 46 Cb -0.04 -2.64 -0.04 0.00 -1.53 0.00 0.00 34.83 30.58 1bve s MET 46 CO 0.01 0.58 0.12 0.96 -2.03 0.00 0.00 175.02 174.67 1bve s ILE 47 N -1.24 4.82 -0.38 3.16 -4.36 -0.26 -4.83 121.20 118.11 1bve s ILE 47 Ca 0.24 -0.65 0.03 0.00 -0.26 0.00 0.00 60.65 60.02 1bve s ILE 47 Cb -0.12 -3.34 0.11 0.00 1.25 0.00 0.00 42.46 40.36 1bve s ILE 47 CO 0.16 0.13 0.11 -0.83 0.24 0.00 0.00 174.94 174.74 1bve s GLY 48 N -2.44 2.05 0.00 6.27 0.00 -1.26 -1.13 107.32 110.80 1bve s GLY 48 Ca 0.31 -2.69 0.00 0.00 0.00 0.00 0.00 44.72 42.34 1bve s GLY 48 CO 0.24 0.96 0.00 0.61 0.00 0.00 0.00 173.10 174.91 1bve n GLY 49 N 4.06 2.00 3.71 0.20 0.00 -0.98 -4.97 105.19 109.21 1bve n GLY 49 Ca 0.04 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1bve n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bve s ILE 50 N 3.20 4.96 0.00 -0.61 1.01 -1.26 -4.07 121.20 124.42 1bve s ILE 50 Ca 0.00 1.70 0.00 0.00 0.00 0.00 0.00 60.65 62.35 1bve s ILE 50 Cb 0.00 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.31 1bve s ILE 50 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.73 1bve n GLY 51 N 3.08 2.42 0.00 6.18 0.00 -1.26 -4.90 105.19 110.72 1bve n GLY 51 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.59 3.82 -0.02 0.00 -1.26 -5.15 105.19 101.99 1bve n GLY 52 Ca 0.00 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.45 3.11 0.08 1.61 0.40 -1.26 -2.32 117.98 116.15 1bve s PHE 53 Ca 0.00 -0.10 0.01 0.00 -0.60 0.00 0.00 56.93 56.24 1bve s PHE 53 Cb 0.00 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 42.08 1bve s PHE 53 CO 0.00 0.52 -0.05 0.96 0.70 0.00 0.00 175.22 177.35 1bve s ILE 54 N -2.08 0.49 -0.23 0.64 -4.36 -0.29 -4.93 121.20 110.44 1bve s ILE 54 Ca 0.33 -1.87 -0.09 0.00 -0.26 0.00 0.00 60.65 58.76 1bve s ILE 54 Cb -0.08 -1.59 -0.04 0.00 1.25 0.00 0.00 42.46 41.99 1bve s ILE 54 CO 0.25 -0.92 0.12 -0.54 0.24 0.00 0.00 174.94 174.09 1bve s LYS 55 N -3.82 3.95 0.37 0.37 3.01 -1.26 -1.10 119.74 121.26 1bve s LYS 55 Ca 0.09 -0.34 0.03 0.00 -1.01 0.00 0.00 55.97 54.75 1bve s LYS 55 Cb 0.06 -3.43 -0.01 0.00 -1.01 0.00 0.00 37.83 33.44 1bve s LYS 55 CO -0.07 0.04 0.11 1.33 0.51 0.00 0.00 175.35 177.27 1bve n VAL 56 N 4.32 0.00 -3.77 3.17 0.24 -0.34 -3.41 118.33 118.54 1bve n VAL 56 Ca -0.15 -2.08 -0.29 0.00 -2.04 0.00 0.00 64.34 59.77 1bve n VAL 56 Cb 0.52 0.70 -0.16 0.00 -1.47 0.00 0.00 33.84 33.44 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 -3.39 0.83 -0.65 7.34 0.52 0.19 -2.31 118.95 121.48 1bve s ARG 57 Ca 0.16 -0.81 -0.26 0.00 -0.52 0.00 0.00 55.73 54.30 1bve s ARG 57 Cb 0.01 -2.13 -0.11 0.00 0.52 0.00 0.00 34.95 33.23 1bve s ARG 57 CO 0.11 -0.79 2.42 0.94 0.02 0.00 0.00 175.30 178.00 1bve n GLN 58 N 4.90 0.77 -3.10 3.54 0.00 0.06 -1.89 117.38 121.64 1bve n GLN 58 Ca -0.06 -0.35 -0.41 0.00 -0.00 0.00 0.00 57.00 56.17 1bve n GLN 58 Cb 0.44 -3.40 -0.06 0.00 0.00 0.00 0.00 30.24 27.22 1bve n GLN 58 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1bve s TYR 59 N 12.83 3.23 -0.08 3.69 2.02 -0.59 -2.57 117.35 135.87 1bve s TYR 59 Ca 0.99 0.64 -0.06 0.00 -0.37 0.00 0.00 57.07 58.26 1bve s TYR 59 Cb -0.22 -2.97 -0.04 0.00 -0.40 0.00 0.00 41.96 38.32 1bve s TYR 59 CO 0.21 -0.45 0.17 -0.51 -1.57 0.00 0.00 175.55 173.39 1bve s ASP 60 N 1.61 6.41 -0.43 2.29 1.01 -1.22 -0.24 116.67 126.09 1bve s ASP 60 Ca 0.26 0.46 -0.02 0.00 0.71 0.00 0.00 52.55 53.96 1bve s ASP 60 Cb -0.15 -2.06 -0.02 0.00 1.01 0.00 0.00 42.92 41.70 1bve s ASP 60 CO 0.11 0.36 0.38 0.00 0.21 0.00 0.00 175.17 176.24 1bve n GLN 61 N 1.66 -0.90 -4.24 8.23 6.02 -1.06 -4.96 117.38 122.13 1bve n GLN 61 Ca -0.17 0.51 -0.32 0.00 -0.01 0.00 0.00 57.00 57.01 1bve n GLN 61 Cb 0.54 -3.41 -0.16 0.00 1.02 0.00 0.00 30.24 28.23 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 -3.13 1.98 -0.83 5.09 1.09 -0.73 -4.81 121.20 119.86 1bve s ILE 62 Ca 0.16 -0.90 -0.25 0.00 -1.10 0.00 0.00 60.65 58.56 1bve s ILE 62 Cb -0.02 -1.78 -0.05 0.00 -1.06 0.00 0.00 42.46 39.55 1bve s ILE 62 CO 0.33 0.53 1.98 -0.22 -0.10 0.00 0.00 174.94 177.45 1bve s LEU 63 N 1.20 3.17 -0.36 2.97 0.20 -1.26 -1.80 118.68 122.80 1bve s LEU 63 Ca 0.02 -0.41 -0.22 0.00 0.69 0.00 0.00 54.13 54.22 1bve s LEU 63 Cb -0.14 -2.55 0.01 0.00 -0.43 0.00 0.00 46.19 43.08 1bve s LEU 63 CO -0.10 -2.77 0.71 -0.51 -0.29 0.00 0.00 176.35 173.39 1bve s ILE 64 N 10.31 4.82 -0.63 6.68 2.07 0.08 -4.17 121.20 140.36 1bve s ILE 64 Ca 0.72 0.75 -0.24 0.00 -1.41 0.00 0.00 60.65 60.48 1bve s ILE 64 Cb -0.08 -4.14 0.06 0.00 0.13 0.00 0.00 42.46 38.42 1bve s ILE 64 CO 0.04 -0.36 0.99 -0.70 -1.91 0.00 0.00 174.94 173.01 1bve s GLU 65 N 2.89 3.19 -0.21 3.50 2.12 -0.89 -2.22 118.70 127.09 1bve s GLU 65 Ca 0.28 -0.57 -0.08 0.00 0.36 0.00 0.00 54.97 54.96 1bve s GLU 65 Cb -0.14 -4.16 -0.04 0.00 0.26 0.00 0.00 34.13 30.05 1bve s GLU 65 CO 0.15 -1.75 0.08 0.42 -0.54 0.00 0.00 175.26 173.63 1bve s ILE 66 N 4.23 4.76 -0.92 -3.70 1.01 -1.06 -2.41 121.20 123.10 1bve s ILE 66 Ca 0.26 -0.03 -0.09 0.00 0.00 0.00 0.00 60.65 60.79 1bve s ILE 66 Cb -0.14 -3.18 0.01 0.00 0.01 0.00 0.00 42.46 39.15 1bve s ILE 66 CO 0.14 0.41 0.65 0.00 0.00 0.00 0.00 174.94 176.14 1bve n GLY 68 N -1.75 -0.45 2.77 0.00 0.00 -1.26 -4.87 105.19 99.63 1bve n GLY 68 Ca -0.21 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.77 1.84 0.05 1.61 4.02 0.85 -5.09 115.29 115.81 1bve s HIS 69 Ca 0.48 -1.75 -0.36 0.00 1.02 0.00 0.00 55.06 54.45 1bve s HIS 69 Cb -0.28 -1.73 -0.16 0.00 -1.02 0.00 0.00 32.58 29.40 1bve s HIS 69 CO 0.59 -0.85 1.48 1.63 1.02 0.00 0.00 174.74 178.61 1bve n LYS 70 N 4.81 1.46 -3.39 1.40 5.02 -1.26 -2.57 118.16 123.63 1bve n LYS 70 Ca -0.03 0.53 -0.14 0.00 -2.02 0.00 0.00 58.31 56.65 1bve n LYS 70 Cb 0.43 -2.22 -0.09 0.00 -0.02 0.00 0.00 35.03 33.13 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 1.15 -0.68 0.46 7.82 0.00 -0.94 -4.91 121.76 124.66 1bve s ALA 71 Ca 0.85 0.05 -0.19 0.00 0.00 0.00 0.00 51.96 52.67 1bve s ALA 71 Cb -0.88 -1.78 -0.10 0.00 0.00 0.00 0.00 23.12 20.36 1bve s ALA 71 CO 0.47 -1.59 0.97 0.42 0.00 0.00 0.00 175.76 176.03 1bve s ILE 72 N 2.42 4.37 0.03 0.00 1.01 -1.26 -0.74 121.20 127.04 1bve s ILE 72 Ca 0.10 1.36 -0.22 0.00 0.00 0.00 0.00 60.65 61.90 1bve s ILE 72 Cb -0.14 -3.62 0.07 0.00 0.01 0.00 0.00 42.46 38.78 1bve s ILE 72 CO -0.27 -0.43 0.99 0.61 0.00 0.00 0.00 174.94 175.84 1bve n GLY 73 N -0.90 0.42 3.48 6.18 0.00 -0.75 -4.82 105.19 108.80 1bve n GLY 73 Ca 0.07 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.07 4.49 -0.44 2.61 2.01 -1.26 -1.77 115.64 119.22 1bve s THR 74 Ca 0.23 -0.11 -0.17 0.00 0.31 0.00 0.00 61.69 61.95 1bve s THR 74 Cb -0.01 -4.53 0.03 0.00 0.01 0.00 0.00 72.50 68.01 1bve s THR 74 CO 0.01 -1.15 0.42 -0.69 -0.69 0.00 0.00 174.62 172.53 1bve s VAL 75 N 3.65 5.13 -0.28 3.82 1.01 0.67 -3.02 120.40 131.38 1bve s VAL 75 Ca 0.24 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 1bve s VAL 75 Cb -0.16 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.17 1bve s VAL 75 CO 0.15 -0.47 1.12 -0.76 0.00 0.00 0.00 175.10 175.14 1bve s LEU 76 N 2.01 3.99 -0.27 3.92 1.02 -0.01 -1.55 118.68 127.80 1bve s LEU 76 Ca 0.09 1.23 -0.09 0.00 0.02 0.00 0.00 54.13 55.38 1bve s LEU 76 Cb -0.19 -3.54 -0.04 0.00 0.02 0.00 0.00 46.19 42.44 1bve s LEU 76 CO 0.11 -0.85 0.13 -0.69 0.02 0.00 0.00 176.35 175.08 1bve s VAL 77 N 3.64 4.80 0.00 -1.59 1.01 -0.79 0.11 120.40 127.58 1bve s VAL 77 Ca 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1bve s VAL 77 Cb -0.15 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1bve s VAL 77 CO 0.14 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1bve n GLY 78 N 4.99 2.85 1.61 4.51 0.00 -0.81 0.57 105.19 118.92 1bve n GLY 78 Ca -0.15 -1.19 -0.02 0.00 0.00 0.00 0.00 46.02 44.66 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 1.17 -2.94 1.61 -0.04 -1.22 0.16 135.00 133.73 1bve n PRO 79 Ca 0.00 -0.19 -0.40 0.00 -0.04 0.00 0.00 63.50 62.88 1bve n PRO 79 Cb 0.00 -1.20 -0.06 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.24 4.33 -1.62 0.52 -1.32 -1.26 -4.93 115.64 111.60 1bve s THR 80 Ca 0.13 1.77 0.00 0.00 -1.21 0.00 0.00 61.69 62.37 1bve s THR 80 Cb 0.06 -4.17 0.00 0.00 -1.51 0.00 0.00 72.50 66.88 1bve s THR 80 CO 0.00 0.52 0.74 -0.81 -2.21 0.00 0.00 174.62 172.85 1bve n PRO 81 N 1.61 0.91 -3.84 7.08 -0.04 -1.26 -3.93 135.00 135.52 1bve n PRO 81 Ca -0.05 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.35 1bve n PRO 81 Cb 0.48 -1.17 -0.02 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.62 0.00 -0.20 0.52 1.01 -1.26 -5.03 120.40 113.83 1bve s VAL 82 Ca 0.00 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 1bve s VAL 82 Cb 0.00 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1bve s VAL 82 CO 0.00 0.00 0.06 0.20 0.00 0.00 0.00 175.10 175.36 1bve s ASN 83 N -2.93 5.44 -0.15 3.32 0.01 -1.26 -2.79 114.94 116.59 1bve s ASN 83 Ca 0.11 -0.01 -0.01 0.00 -0.71 0.00 0.00 52.86 52.24 1bve s ASN 83 Cb -0.05 -1.94 -0.02 0.00 0.41 0.00 0.00 41.25 39.65 1bve s ASN 83 CO 0.06 0.11 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.04 1bve s ILE 84 N 0.72 3.25 -0.72 0.60 -1.09 -0.40 -1.27 121.20 122.30 1bve s ILE 84 Ca 0.03 -0.58 -0.10 0.00 -2.23 0.00 0.00 60.65 57.77 1bve s ILE 84 Cb -0.13 -2.40 0.19 0.00 -1.58 0.00 0.00 42.46 38.54 1bve s ILE 84 CO 0.02 0.50 0.61 -0.63 -1.23 0.00 0.00 174.94 174.22 1bve s ILE 85 N 0.53 4.87 0.00 2.92 1.09 -1.18 -0.62 121.20 128.82 1bve s ILE 85 Ca -0.07 -2.53 0.00 0.00 -1.10 0.00 0.00 60.65 56.96 1bve s ILE 85 Cb -0.15 -4.07 0.00 0.00 -1.06 0.00 0.00 42.46 37.18 1bve s ILE 85 CO 0.03 -0.95 0.00 0.61 -0.10 0.00 0.00 174.94 174.53 1bve n GLY 86 N 3.95 -1.22 0.31 6.18 0.00 0.14 -1.82 105.19 112.73 1bve n GLY 86 Ca 0.09 -1.63 0.04 0.00 0.00 0.00 0.00 46.02 44.52 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 0.56 -0.84 1.61 2.47 -1.26 -0.90 114.38 116.02 1bve h ARG 87 Ca 0.00 -0.03 0.24 0.00 -1.26 0.00 0.00 59.98 58.93 1bve h ARG 87 Cb 0.00 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.16 1bve h ARG 87 CO 0.00 0.37 0.74 -2.95 0.56 0.00 0.00 179.97 178.69 1bve h ASN 88 N 0.58 0.00 0.00 7.04 -1.07 -1.38 0.06 115.58 120.80 1bve h ASN 88 Ca 0.17 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.34 1bve h ASN 88 Cb -0.03 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.18 1bve h ASN 88 CO -0.04 0.00 -1.77 0.18 0.07 0.00 0.00 177.43 175.87 1bve n LEU 89 N -3.85 0.00 0.00 6.14 7.99 -0.59 -4.26 117.00 122.43 1bve n LEU 89 Ca 0.17 0.00 0.08 0.00 -0.01 0.00 0.00 56.01 56.25 1bve n LEU 89 Cb 1.03 0.27 0.38 0.00 -0.11 0.00 0.00 43.42 44.98 1bve n LEU 89 CO 0.33 0.27 0.72 0.18 -1.51 0.00 0.00 177.39 177.37 1bve n LEU 90 N -2.39 0.00 0.01 2.23 4.77 -0.45 -1.60 117.00 119.57 1bve n LEU 90 Ca -0.18 0.31 0.11 0.00 -0.03 0.00 0.00 56.01 56.22 1bve n LEU 90 Cb 0.84 -0.31 -0.14 0.00 -2.33 0.00 0.00 43.42 41.48 1bve n LEU 90 CO 0.24 -0.15 -0.62 0.35 -1.33 0.00 0.00 177.39 175.88 1bve n THR 91 N -1.31 0.15 0.07 -5.08 -2.24 -0.11 0.12 114.28 105.87 1bve n THR 91 Ca 0.07 -0.52 -0.23 0.00 -2.27 0.00 0.00 64.05 61.10 1bve n THR 91 Cb 0.13 -0.08 -0.15 0.00 -2.10 0.00 0.00 70.33 68.13 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 0.37 -0.00 -0.78 1.08 -1.48 -3.22 115.11 111.09 1bve h GLN 92 Ca -0.01 -0.64 0.00 0.00 -1.45 0.00 0.00 58.65 56.55 1bve h GLN 92 Cb 1.03 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 1bve h GLN 92 CO 0.00 1.30 -0.02 0.44 -0.95 0.00 0.00 178.83 179.61 1bve n ILE 93 N -3.79 0.00 -2.11 2.54 -5.35 -1.00 -4.89 119.36 104.76 1bve n ILE 93 Ca -0.22 -0.01 -0.07 0.00 -0.27 0.00 0.00 62.75 62.18 1bve n ILE 93 Cb 1.00 -0.42 -0.00 0.00 -1.74 0.00 0.00 39.64 38.48 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 1.20 0.10 3.75 3.28 0.00 -1.21 -4.93 105.19 107.39 1bve n GLY 94 Ca 0.17 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.36 3.66 -0.03 4.61 0.00 0.12 -4.98 121.76 122.78 1bve s ALA 95 Ca 0.00 1.48 0.01 0.00 0.00 0.00 0.00 51.96 53.44 1bve s ALA 95 Cb 0.00 -3.60 0.03 0.00 0.00 0.00 0.00 23.12 19.54 1bve s ALA 95 CO 0.00 -0.90 -0.01 0.95 0.00 0.00 0.00 175.76 175.80 1bve s THR 96 N -0.27 0.29 -0.61 0.00 -4.23 -1.26 -4.76 115.64 104.79 1bve s THR 96 Ca 0.59 0.03 -0.23 0.00 -1.18 0.00 0.00 61.69 60.90 1bve s THR 96 Cb -0.45 -0.36 0.06 0.00 1.34 0.00 0.00 72.50 73.09 1bve s THR 96 CO 0.49 0.17 0.93 -0.76 -0.54 0.00 0.00 174.62 174.91 1bve s LEU 97 N 1.01 4.36 -0.18 4.79 1.02 -1.26 -5.01 118.68 123.41 1bve s LEU 97 Ca -0.10 -0.80 -0.04 0.00 0.02 0.00 0.00 54.13 53.22 1bve s LEU 97 Cb -0.14 -2.54 -0.02 0.00 0.02 0.00 0.00 46.19 43.51 1bve s LEU 97 CO -0.01 -1.33 -0.04 0.20 0.02 0.00 0.00 176.35 175.19 1bve s ASN 98 N 3.35 4.62 0.00 2.29 0.02 -1.26 -5.30 114.94 118.67 1bve s ASN 98 Ca 0.24 -0.22 0.00 0.00 -1.02 0.00 0.00 52.86 51.86 1bve s ASN 98 Cb -0.16 -1.77 0.00 0.00 0.02 0.00 0.00 41.25 39.35 1bve s ASN 98 CO 0.13 0.11 0.02 2.22 0.02 0.00 0.00 177.10 179.60