#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bcb n SER 2 N 0.00 0.00 -0.22 3.14 3.41 -1.26 -4.39 113.62 114.30 2bcb n SER 2 Ca 0.00 0.00 0.31 0.00 -0.26 0.00 0.00 58.87 58.92 2bcb n SER 2 Cb 0.00 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 64.66 2bcb n SER 2 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2bcb h PRO 3 N 0.00 0.00 -1.06 4.33 0.11 -2.02 0.15 132.00 133.51 2bcb h PRO 3 Ca 0.00 0.00 0.31 0.00 0.11 0.00 0.00 66.00 66.42 2bcb h PRO 3 Cb 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 30.98 2bcb h PRO 3 CO 0.00 0.00 0.64 1.49 -0.21 0.00 0.00 178.00 179.92 2bcb h GLU 4 N 0.00 0.35 -0.05 1.05 4.22 -1.99 0.21 114.58 118.37 2bcb h GLU 4 Ca 0.47 -0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.92 2bcb h GLU 4 Cb 2.11 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.25 2bcb h GLU 4 CO -0.00 0.23 -0.08 0.93 -2.18 0.00 0.00 179.01 177.91 2bcb h GLU 5 N 0.36 -0.12 -0.04 1.92 4.39 -0.92 0.12 114.58 120.30 2bcb h GLU 5 Ca 0.69 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 60.28 2bcb h GLU 5 Cb 1.67 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.33 2bcb h GLU 5 CO -0.47 -0.08 -0.55 -0.07 -1.16 0.00 0.00 179.01 176.67 2bcb h LEU 6 N -0.12 0.11 -0.26 1.33 3.38 -0.90 -0.46 115.31 118.38 2bcb h LEU 6 Ca 0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2bcb h LEU 6 Cb 0.19 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2bcb h LEU 6 CO -0.12 0.64 0.10 0.50 0.09 0.00 0.00 178.44 179.65 2bcb h LYS 7 N 0.08 0.40 0.22 1.13 1.63 -0.28 0.19 116.57 119.93 2bcb h LYS 7 Ca -0.00 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 2bcb h LYS 7 Cb 1.00 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.57 2bcb h LYS 7 CO 0.08 0.44 -0.12 0.78 -3.45 0.00 0.00 179.45 177.17 2bcb h GLY 8 N 0.27 -0.33 0.66 5.01 0.00 -0.29 0.46 103.07 108.85 2bcb h GLY 8 Ca 0.09 0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.57 2bcb h GLY 8 CO -0.01 -0.13 -0.20 -2.22 0.00 0.00 0.00 176.54 173.99 2bcb h ILE 9 N -0.33 0.55 -0.22 2.60 1.08 -1.02 0.19 117.51 120.38 2bcb h ILE 9 Ca -0.02 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.50 2bcb h ILE 9 Cb 0.27 0.55 -0.07 0.00 -3.07 0.00 0.00 36.82 34.50 2bcb h ILE 9 CO 0.03 0.00 -0.31 0.15 -0.69 0.00 0.00 178.15 177.33 2bcb h PHE 10 N -0.37 -0.84 -0.44 1.37 3.04 -0.49 -0.35 116.94 118.86 2bcb h PHE 10 Ca 0.03 0.04 0.03 0.00 3.98 0.00 0.00 57.97 62.05 2bcb h PHE 10 Cb 0.39 0.40 -0.03 0.00 2.56 0.00 0.00 35.95 39.27 2bcb h PHE 10 CO -0.19 -0.38 0.24 1.49 -2.02 0.00 0.00 178.31 177.45 2bcb h GLU 11 N -0.33 0.47 -0.05 1.11 4.81 -0.59 0.16 114.58 120.16 2bcb h GLU 11 Ca 0.12 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2bcb h GLU 11 Cb 0.53 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 2bcb h GLU 11 CO -0.41 0.31 -0.20 -0.22 -0.73 0.00 0.00 179.01 177.76 2bcb h LYS 12 N 0.48 -0.29 -0.21 1.92 3.11 0.06 0.14 116.57 121.79 2bcb h LYS 12 Ca 0.18 0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 58.00 2bcb h LYS 12 Cb 0.05 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.34 2bcb h LYS 12 CO -0.10 -0.19 -0.01 1.88 -2.81 0.00 0.00 179.45 178.21 2bcb h TYR 13 N -0.30 0.42 -0.86 1.91 0.05 -0.77 -2.65 116.97 114.77 2bcb h TYR 13 Ca 0.08 -0.08 0.18 0.00 0.05 0.00 0.00 58.73 58.96 2bcb h TYR 13 Cb 0.40 -0.11 -0.11 0.00 1.01 0.00 0.00 36.73 37.93 2bcb h TYR 13 CO -0.27 0.59 0.40 0.00 -1.05 0.00 0.00 178.16 177.82 2bcb h ALA 14 N 0.78 1.32 0.00 3.88 0.00 -0.29 0.88 119.26 125.82 2bcb h ALA 14 Ca 0.06 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2bcb h ALA 14 Cb 0.43 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2bcb h ALA 14 CO 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.04 2bcb h ALA 15 N 1.63 1.00 0.34 0.00 0.00 -0.46 -3.13 119.26 118.63 2bcb h ALA 15 Ca 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.41 2bcb h ALA 15 Cb 0.83 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2bcb h ALA 15 CO -0.44 0.00 -0.51 -0.22 0.00 0.00 0.00 179.25 178.08 2bcb h LYS 16 N 0.00 -0.85 -0.03 0.00 1.63 -0.47 -3.07 116.57 113.78 2bcb h LYS 16 Ca 0.00 0.06 -0.25 0.00 -0.85 0.00 0.00 60.65 59.61 2bcb h LYS 16 Cb 0.38 0.19 0.01 0.00 -0.60 0.00 0.00 32.23 32.22 2bcb h LYS 16 CO 0.00 -0.57 -0.96 0.93 -3.45 0.00 0.00 179.45 175.40 2bcb h GLU 17 N -0.89 0.62 0.00 1.90 5.08 -1.72 -3.49 114.58 116.08 2bcb h GLU 17 Ca -0.04 -0.64 0.00 0.00 -1.00 0.00 0.00 59.36 57.68 2bcb h GLU 17 Cb 0.81 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2bcb h GLU 17 CO -0.16 1.24 0.00 0.41 -1.00 0.00 0.00 179.01 179.50 2bcb n GLY 18 N 0.96 -1.72 3.54 -3.84 0.00 -1.16 -5.11 105.19 97.86 2bcb n GLY 18 Ca -0.09 0.57 -0.48 0.00 0.00 0.00 0.00 46.02 46.02 2bcb n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2bcb n ASP 19 N 0.00 2.76 0.00 1.61 -0.08 -1.25 -4.36 116.55 115.23 2bcb n ASP 19 Ca 0.00 0.43 0.10 0.00 -1.51 0.00 0.00 54.79 53.81 2bcb n ASP 19 Cb 0.00 -1.39 0.46 0.00 2.34 0.00 0.00 41.12 42.53 2bcb n ASP 19 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2bcb n PRO 20 N 8.13 0.13 -0.04 -0.67 -0.04 -1.26 -3.14 135.00 138.11 2bcb n PRO 20 Ca 0.34 0.13 -0.01 0.00 -0.04 0.00 0.00 63.50 63.92 2bcb n PRO 20 Cb 0.32 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.13 2bcb n PRO 20 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2bcb n ASN 21 N -1.40 0.19 -4.51 3.54 5.15 -1.26 -4.54 115.26 112.43 2bcb n ASN 21 Ca 0.07 0.08 -0.33 0.00 -0.60 0.00 0.00 54.58 53.80 2bcb n ASN 21 Cb 0.20 1.13 -0.12 0.00 -0.53 0.00 0.00 39.78 40.45 2bcb n ASN 21 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2bcb s GLN 22 N -2.90 2.75 -0.48 1.20 1.11 -1.19 -3.68 119.66 116.47 2bcb s GLN 22 Ca -0.08 -0.63 -0.17 0.00 0.01 0.00 0.00 55.36 54.49 2bcb s GLN 22 Cb 0.09 -2.51 0.06 0.00 -1.01 0.00 0.00 33.01 29.64 2bcb s GLN 22 CO 0.85 0.58 0.46 -0.51 0.01 0.00 0.00 175.29 176.68 2bcb s LEU 23 N -0.59 5.38 0.97 2.90 1.43 0.85 -4.46 118.68 125.15 2bcb s LEU 23 Ca 0.09 -1.16 -0.11 0.00 -1.03 0.00 0.00 54.13 51.91 2bcb s LEU 23 Cb -0.11 -2.27 0.17 0.00 0.03 0.00 0.00 46.19 44.01 2bcb s LEU 23 CO 0.02 -0.71 1.09 -0.94 0.23 0.00 0.00 176.35 176.04 2bcb s SER 24 N 2.56 2.68 0.19 2.29 1.04 -1.26 -0.08 113.70 121.12 2bcb s SER 24 Ca 0.08 1.77 -0.12 0.00 0.48 0.00 0.00 55.95 58.16 2bcb s SER 24 Cb -0.22 -2.38 0.22 0.00 0.10 0.00 0.00 66.02 63.75 2bcb s SER 24 CO 0.09 -3.18 1.71 0.50 0.98 0.00 0.00 173.24 173.33 2bcb h LYS 25 N -1.92 0.22 -0.00 4.02 3.64 -1.94 0.16 116.57 120.75 2bcb h LYS 25 Ca -0.50 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 58.88 2bcb h LYS 25 Cb 1.29 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 2bcb h LYS 25 CO 0.49 0.14 -0.08 1.49 -2.27 0.00 0.00 179.45 179.21 2bcb h GLU 26 N 0.22 -0.14 -0.61 1.90 4.81 -1.91 -3.01 114.58 115.85 2bcb h GLU 26 Ca 0.27 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.58 2bcb h GLU 26 Cb 0.38 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.74 2bcb h GLU 26 CO -0.37 -0.09 0.29 1.49 -0.73 0.00 0.00 179.01 179.61 2bcb h GLU 27 N -0.15 0.52 -0.88 1.92 4.57 -1.49 -2.07 114.58 117.01 2bcb h GLU 27 Ca 0.03 -0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.31 2bcb h GLU 27 Cb 0.19 -0.12 -0.08 0.00 -0.16 0.00 0.00 28.75 28.58 2bcb h GLU 27 CO -0.09 0.35 0.50 1.25 -1.18 0.00 0.00 179.01 179.84 2bcb h LEU 28 N 0.54 0.68 0.05 1.64 5.85 -0.61 -1.93 115.31 121.54 2bcb h LEU 28 Ca 0.29 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.08 2bcb h LEU 28 Cb 0.26 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2bcb h LEU 28 CO -0.22 0.34 -0.19 0.50 -0.34 0.00 0.00 178.44 178.53 2bcb h LYS 29 N 0.77 -0.27 -0.71 1.25 1.63 -1.29 -0.15 116.57 117.81 2bcb h LYS 29 Ca 0.45 0.02 0.15 0.00 -0.85 0.00 0.00 60.65 60.41 2bcb h LYS 29 Cb 0.52 0.06 -0.10 0.00 -0.60 0.00 0.00 32.23 32.11 2bcb h LYS 29 CO -0.30 -0.18 0.18 1.37 -3.45 0.00 0.00 179.45 177.07 2bcb h LEU 30 N -0.28 0.05 0.11 5.20 -0.00 -1.55 0.69 115.31 119.52 2bcb h LEU 30 Ca -0.00 0.13 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 2bcb h LEU 30 Cb 0.28 0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.09 2bcb h LEU 30 CO -0.10 -0.01 -0.29 0.25 -0.00 0.00 0.00 178.44 178.30 2bcb h LEU 31 N 0.29 -0.84 -0.90 0.17 6.46 -0.88 0.54 115.31 120.15 2bcb h LEU 31 Ca 0.39 0.08 0.03 0.00 -0.12 0.00 0.00 57.88 58.27 2bcb h LEU 31 Cb 0.63 0.31 -0.05 0.00 -0.73 0.00 0.00 40.66 40.82 2bcb h LEU 31 CO -0.47 -0.31 0.58 -0.07 -0.62 0.00 0.00 178.44 177.55 2bcb h LEU 32 N -0.44 0.97 -0.92 2.25 3.38 -0.67 -0.16 115.31 119.72 2bcb h LEU 32 Ca -0.01 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2bcb h LEU 32 Cb 0.42 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 2bcb h LEU 32 CO -0.13 0.67 0.61 1.56 0.09 0.00 0.00 178.44 181.23 2bcb h GLN 33 N 1.13 1.16 -0.03 1.13 4.20 -0.59 0.25 115.11 122.37 2bcb h GLN 33 Ca 0.36 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.94 2bcb h GLN 33 Cb 0.00 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.52 2bcb h GLN 33 CO -0.12 0.77 -0.19 1.15 -0.67 0.00 0.00 178.83 179.77 2bcb h THR 34 N 1.20 1.49 0.15 -0.54 2.02 0.07 -3.36 112.91 113.95 2bcb h THR 34 Ca 0.36 -1.72 -0.30 0.00 0.77 0.00 0.00 66.41 65.52 2bcb h THR 34 Cb -0.06 2.53 0.01 0.00 -1.74 0.00 0.00 68.15 68.89 2bcb h THR 34 CO -0.10 0.47 -1.47 -0.33 0.37 0.00 0.00 175.52 174.47 2bcb h GLU 35 N -0.42 0.32 -1.05 6.66 4.39 -0.93 -3.45 114.58 120.10 2bcb h GLU 35 Ca -0.02 -0.55 -0.22 0.00 0.34 0.00 0.00 59.36 58.92 2bcb h GLU 35 Cb 0.87 0.20 -0.19 0.00 -0.10 0.00 0.00 28.75 29.54 2bcb h GLU 35 CO 0.04 1.26 -0.56 1.97 -1.16 0.00 0.00 179.01 180.56 2bcb n PHE 36 N -3.82 -3.37 0.00 4.33 1.16 0.82 -4.99 117.46 111.58 2bcb n PHE 36 Ca -0.23 -1.69 0.00 0.00 -1.87 0.00 0.00 57.45 53.66 2bcb n PHE 36 Cb 0.96 1.32 0.00 0.00 -1.61 0.00 0.00 39.48 40.15 2bcb n PHE 36 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 2bcb n PRO 37 N 2.73 0.00 -0.02 3.97 -0.04 -0.85 -2.36 135.00 138.43 2bcb n PRO 37 Ca 0.18 0.41 -0.02 0.00 -0.04 0.00 0.00 63.50 64.03 2bcb n PRO 37 Cb 0.56 -1.51 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 2bcb n PRO 37 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2bcb h SER 38 N 0.00 -0.07 -0.95 3.54 4.64 -1.94 -3.37 113.55 115.41 2bcb h SER 38 Ca 0.00 -0.06 0.26 0.00 -0.47 0.00 0.00 61.79 61.52 2bcb h SER 38 Cb 0.02 0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 62.08 2bcb h SER 38 CO 0.00 0.45 0.66 -0.07 -0.87 0.00 0.00 176.83 177.00 2bcb h LEU 39 N -1.02 0.14 -2.39 5.97 3.38 -1.84 0.34 115.31 119.90 2bcb h LEU 39 Ca -0.01 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2bcb h LEU 39 Cb 0.12 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2bcb h LEU 39 CO 0.01 0.04 -0.01 0.17 0.09 0.00 0.00 178.44 178.75 2bcb h LEU 40 N 0.13 0.00 -0.98 1.67 8.10 -1.71 0.11 115.31 122.63 2bcb h LEU 40 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.46 2bcb h LEU 40 Cb 1.63 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.85 2bcb h LEU 40 CO -0.08 0.01 0.00 0.11 -4.11 0.00 0.00 178.44 174.37 2bcb h LYS 41 N 0.00 0.00 -4.72 0.17 1.57 -1.12 -3.39 116.57 109.07 2bcb h LYS 41 Ca -0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 2bcb h LYS 41 Cb 0.20 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.55 2bcb h LYS 41 CO 0.00 0.00 1.96 0.41 -0.57 0.00 0.00 179.45 181.25 2bcb n GLY 42 N 0.39 2.06 0.00 3.86 0.00 0.37 -0.75 105.19 111.12 2bcb n GLY 42 Ca 0.02 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2bcb n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bcb n GLY 43 N 4.83 0.04 5.00 -0.02 0.00 -1.26 -4.82 105.19 108.96 2bcb n GLY 43 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 2bcb n GLY 43 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bcb n SER 44 N 0.00 0.00 -4.21 1.61 2.88 0.07 -4.40 113.62 109.58 2bcb n SER 44 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 2bcb n SER 44 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 2bcb n SER 44 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2bcb s THR 45 N 0.00 1.23 0.16 2.46 2.01 -1.26 -4.94 115.64 115.30 2bcb s THR 45 Ca 0.00 -1.52 -0.19 0.00 0.31 0.00 0.00 61.69 60.29 2bcb s THR 45 Cb 0.00 -1.32 0.07 0.00 0.01 0.00 0.00 72.50 71.26 2bcb s THR 45 CO 0.00 -0.32 1.66 0.25 -0.69 0.00 0.00 174.62 175.52 2bcb h LEU 46 N 3.89 -0.45 -0.09 4.42 5.85 -1.87 -1.47 115.31 125.58 2bcb h LEU 46 Ca -0.40 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.48 2bcb h LEU 46 Cb 1.19 0.27 -0.06 0.00 0.37 0.00 0.00 40.66 42.43 2bcb h LEU 46 CO 0.46 -0.16 -0.41 0.44 -0.34 0.00 0.00 178.44 178.42 2bcb h ASP 47 N -0.06 -1.26 0.09 1.25 5.19 -1.97 0.28 116.42 119.94 2bcb h ASP 47 Ca 0.17 0.16 0.02 0.00 -0.62 0.00 0.00 57.03 56.77 2bcb h ASP 47 Cb 0.32 0.51 -0.04 0.00 0.18 0.00 0.00 39.33 40.31 2bcb h ASP 47 CO -0.39 -0.43 -0.26 -0.33 -3.12 0.00 0.00 179.24 174.71 2bcb h GLU 48 N -0.50 -0.44 0.77 3.56 5.08 -1.74 0.38 114.58 121.68 2bcb h GLU 48 Ca 0.07 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2bcb h GLU 48 Cb 0.62 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2bcb h GLU 48 CO -0.37 -0.29 -0.42 1.25 -1.00 0.00 0.00 179.01 178.17 2bcb h LEU 49 N -0.46 -1.04 -1.35 1.33 5.85 -0.89 -0.04 115.31 118.71 2bcb h LEU 49 Ca 0.04 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.91 2bcb h LEU 49 Cb 0.50 0.29 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 2bcb h LEU 49 CO -0.17 -0.68 0.53 0.15 -0.34 0.00 0.00 178.44 177.93 2bcb h PHE 50 N -1.10 0.77 -0.34 1.25 3.57 -0.41 -0.09 116.94 120.58 2bcb h PHE 50 Ca -0.10 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.34 2bcb h PHE 50 Cb 0.87 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 2bcb h PHE 50 CO -0.06 0.34 -0.09 0.93 -2.23 0.00 0.00 178.31 177.20 2bcb h GLU 51 N 0.70 0.66 -0.46 1.11 5.08 0.22 0.50 114.58 122.39 2bcb h GLU 51 Ca 0.38 -0.25 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2bcb h GLU 51 Cb 0.52 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 2bcb h GLU 51 CO -0.15 0.83 0.22 1.49 -1.00 0.00 0.00 179.01 180.40 2bcb h GLU 52 N 0.45 0.42 -0.32 2.33 4.57 0.09 -2.73 114.58 119.39 2bcb h GLU 52 Ca 0.09 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 2bcb h GLU 52 Cb 0.59 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 2bcb h GLU 52 CO 0.03 0.28 0.13 -0.07 -1.18 0.00 0.00 179.01 178.20 2bcb h LEU 53 N 0.43 0.44 -5.21 1.64 3.38 -0.84 -3.23 115.31 111.93 2bcb h LEU 53 Ca 0.20 -0.16 -0.69 0.00 0.09 0.00 0.00 57.88 57.32 2bcb h LEU 53 Cb 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2bcb h LEU 53 CO -0.16 0.48 3.53 -0.67 0.09 0.00 0.00 178.44 181.71 2bcb n ASP 54 N -4.72 8.23 0.21 -0.43 2.03 0.17 -4.62 116.55 117.41 2bcb n ASP 54 Ca -0.02 -2.70 0.08 0.00 0.52 0.00 0.00 54.79 52.67 2bcb n ASP 54 Cb 0.13 -1.53 0.60 0.00 -0.72 0.00 0.00 41.12 39.61 2bcb n ASP 54 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2bcb h LYS 55 N 5.02 0.10 0.00 -0.67 3.64 -1.65 0.65 116.57 123.65 2bcb h LYS 55 Ca 0.82 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 60.13 2bcb h LYS 55 Cb 0.32 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2bcb h LYS 55 CO 1.74 0.06 -0.30 -0.97 -2.27 0.00 0.00 179.45 177.72 2bcb h ASN 56 N 0.10 0.00 -5.00 4.20 -1.24 -1.91 -3.48 115.58 108.25 2bcb h ASN 56 Ca 0.03 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.98 2bcb h ASN 56 Cb 0.01 0.00 0.05 0.00 0.73 0.00 0.00 38.32 39.11 2bcb h ASN 56 CO -0.01 0.30 -0.22 0.61 -1.29 0.00 0.00 177.43 176.82 2bcb n GLY 57 N 0.21 -1.01 0.00 1.57 0.00 0.22 -4.99 105.19 101.20 2bcb n GLY 57 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2bcb n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bcb n ASP 58 N -2.04 0.38 0.00 1.61 5.68 -1.26 -5.01 116.55 115.91 2bcb n ASP 58 Ca -0.02 -0.76 0.00 0.00 -0.50 0.00 0.00 54.79 53.51 2bcb n ASP 58 Cb 0.53 0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.70 2bcb n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bcb n GLY 59 N 0.19 2.74 3.28 6.12 0.00 -1.26 -5.05 105.19 111.21 2bcb n GLY 59 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2bcb n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bcb s GLU 60 N -0.45 1.25 0.47 1.61 2.02 -1.26 -3.53 118.70 118.81 2bcb s GLU 60 Ca 0.00 -1.64 0.07 0.00 0.02 0.00 0.00 54.97 53.43 2bcb s GLU 60 Cb 0.00 -0.31 0.03 0.00 0.10 0.00 0.00 34.13 33.95 2bcb s GLU 60 CO 0.00 -0.19 0.65 0.08 0.02 0.00 0.00 175.26 175.82 2bcb s VAL 61 N -3.66 2.77 0.15 2.63 1.01 0.88 -4.72 120.40 119.45 2bcb s VAL 61 Ca 0.30 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 2bcb s VAL 61 Cb 0.07 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.63 2bcb s VAL 61 CO 0.08 0.00 0.36 -0.94 0.00 0.00 0.00 175.10 174.60 2bcb s SER 62 N -4.43 -0.10 0.30 3.32 1.04 -1.26 -0.11 113.70 112.46 2bcb s SER 62 Ca 0.57 -0.58 0.06 0.00 0.48 0.00 0.00 55.95 56.48 2bcb s SER 62 Cb -0.09 0.47 0.79 0.00 0.10 0.00 0.00 66.02 67.29 2bcb s SER 62 CO 0.35 -0.90 1.68 0.15 0.98 0.00 0.00 173.24 175.51 2bcb h PHE 63 N 2.44 0.65 -0.86 5.02 3.57 -1.96 0.10 116.94 125.91 2bcb h PHE 63 Ca -0.32 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.31 2bcb h PHE 63 Cb 1.24 -0.14 -0.11 0.00 2.79 0.00 0.00 35.95 39.73 2bcb h PHE 63 CO 0.37 -0.10 -0.56 1.49 -2.23 0.00 0.00 178.31 177.28 2bcb h GLU 64 N 0.35 -0.09 0.12 1.11 4.57 -1.96 -1.73 114.58 116.96 2bcb h GLU 64 Ca 0.59 0.01 -0.27 0.00 -1.18 0.00 0.00 59.36 58.51 2bcb h GLU 64 Cb 1.19 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 2bcb h GLU 64 CO -0.57 -0.06 -1.22 0.93 -1.18 0.00 0.00 179.01 176.91 2bcb h GLU 65 N -0.09 0.28 -0.21 1.92 5.08 -1.60 -3.24 114.58 116.72 2bcb h GLU 65 Ca 0.16 -0.47 0.06 0.00 -1.00 0.00 0.00 59.36 58.11 2bcb h GLU 65 Cb 0.47 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2bcb h GLU 65 CO -0.86 1.21 0.43 0.35 -1.00 0.00 0.00 179.01 179.14 2bcb h PHE 66 N 0.09 0.00 -0.21 4.33 3.57 0.03 0.16 116.94 124.90 2bcb h PHE 66 Ca -0.13 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.43 2bcb h PHE 66 Cb 1.94 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.67 2bcb h PHE 66 CO 0.06 0.00 0.26 1.96 -2.23 0.00 0.00 178.31 178.36 2bcb h GLN 67 N 0.00 0.00 -0.56 1.11 1.08 -1.42 0.47 115.11 115.80 2bcb h GLN 67 Ca 0.10 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.32 2bcb h GLN 67 Cb 0.95 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.35 2bcb h GLN 67 CO -0.00 0.00 0.34 0.28 -0.95 0.00 0.00 178.83 178.50 2bcb h VAL 68 N 0.00 1.06 -0.29 -0.54 2.07 -1.23 0.81 116.25 118.13 2bcb h VAL 68 Ca 0.10 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 2bcb h VAL 68 Cb 0.62 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2bcb h VAL 68 CO -0.00 0.12 0.05 0.25 0.02 0.00 0.00 177.57 178.01 2bcb h LEU 69 N 0.67 0.46 -1.79 2.57 7.12 -0.29 0.53 115.31 124.57 2bcb h LEU 69 Ca 0.22 -0.26 0.20 0.00 0.13 0.00 0.00 57.88 58.17 2bcb h LEU 69 Cb 0.02 -0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 39.98 2bcb h LEU 69 CO -0.10 0.60 0.54 0.58 -0.13 0.00 0.00 178.44 179.93 2bcb h VAL 70 N 0.30 0.68 0.05 1.05 2.07 -0.60 0.25 116.25 120.05 2bcb h VAL 70 Ca 0.09 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 2bcb h VAL 70 Cb 0.34 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2bcb h VAL 70 CO 0.01 0.03 -0.02 0.50 0.02 0.00 0.00 177.57 178.11 2bcb h LYS 71 N 0.18 -0.06 -0.22 1.57 3.64 -0.07 -3.36 116.57 118.26 2bcb h LYS 71 Ca 0.38 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.83 2bcb h LYS 71 Cb 1.22 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 2bcb h LYS 71 CO -0.07 0.57 0.21 0.87 -2.27 0.00 0.00 179.45 178.75 2bcb h LYS 72 N -0.89 0.00 -0.00 1.90 1.57 0.78 -0.10 116.57 119.83 2bcb h LYS 72 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2bcb h LYS 72 Cb 0.65 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 2bcb h LYS 72 CO 0.01 0.00 0.00 -0.84 -0.57 0.00 0.00 179.45 178.05 2bcb h ILE 73 N 0.00 0.54 -0.89 1.86 3.07 -1.17 0.14 117.51 121.07 2bcb h ILE 73 Ca 0.10 0.00 -0.59 0.00 1.55 0.00 0.00 64.86 65.93 2bcb h ILE 73 Cb 0.52 1.00 -0.31 0.00 -0.27 0.00 0.00 36.82 37.76 2bcb h ILE 73 CO -0.00 0.00 0.39 -1.20 -1.05 0.00 0.00 178.15 176.29 2bcb n SER 74 N -3.87 6.17 0.00 2.16 7.64 -0.05 -5.15 113.62 120.52 2bcb n SER 74 Ca -0.03 -3.76 0.00 0.00 1.01 0.00 0.00 58.87 56.09 2bcb n SER 74 Cb 0.08 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 2bcb n SER 74 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70