#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 4.39 3.41 -1.26 -4.40 113.62 115.54 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 0.69 0.00 -0.26 0.00 0.00 64.21 64.64 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 -0.99 4.33 0.11 -2.06 0.12 132.00 133.52 2bcb h PRO 3 Ca 0.00 0.00 0.33 0.00 0.11 0.00 0.00 66.00 66.44 2bcb h PRO 3 Cb 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 30.95 2bcb h PRO 3 CO 0.00 0.00 0.49 1.49 -0.21 0.00 0.00 178.00 179.77 2bcb h GLU 4 N 0.00 0.21 0.16 1.05 4.81 -1.99 0.16 114.58 118.98 2bcb h GLU 4 Ca 0.48 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.71 2bcb h GLU 4 Cb 2.23 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 31.55 2bcb h GLU 4 CO -0.01 0.14 -0.19 0.93 -0.73 0.00 0.00 179.01 179.16 2bcb h GLU 5 N 0.21 -0.38 -0.49 1.92 5.08 -1.00 0.17 114.58 120.10 2bcb h GLU 5 Ca 0.73 0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 59.04 2bcb h GLU 5 Cb 1.72 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 31.04 2bcb h GLU 5 CO -0.67 -0.25 -0.02 -0.07 -1.00 0.00 0.00 179.01 177.00 2bcb h LEU 6 N -0.39 0.81 -0.40 1.33 3.38 -0.98 0.25 115.31 119.30 2bcb h LEU 6 Ca 0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2bcb h LEU 6 Cb 0.38 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2bcb h LEU 6 CO -0.07 0.88 0.21 0.50 0.09 0.00 0.00 178.44 180.06 2bcb h LYS 7 N 0.77 0.57 0.20 1.13 3.64 -0.48 0.17 116.57 122.57 2bcb h LYS 7 Ca 0.15 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2bcb h LYS 7 Cb 0.49 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2bcb h LYS 7 CO 0.02 0.47 -0.10 0.78 -2.27 0.00 0.00 179.45 178.35 2bcb h GLY 8 N 0.52 -0.29 0.44 5.01 0.00 -0.06 0.10 103.07 108.79 2bcb h GLY 8 Ca 0.14 0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.62 2bcb h GLY 8 CO -0.02 -0.11 -0.22 -2.22 0.00 0.00 0.00 176.54 173.97 2bcb h ILE 9 N -0.28 0.48 -0.26 2.60 1.08 -0.82 0.14 117.51 120.45 2bcb h ILE 9 Ca -0.03 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.51 2bcb h ILE 9 Cb 0.22 0.48 -0.07 0.00 -3.07 0.00 0.00 36.82 34.38 2bcb h ILE 9 CO 0.04 0.00 -0.25 0.15 -0.69 0.00 0.00 178.15 177.40 2bcb h PHE 10 N -0.32 -0.66 -0.04 1.37 3.04 -0.46 -0.54 116.94 119.33 2bcb h PHE 10 Ca 0.07 0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.08 2bcb h PHE 10 Cb 0.42 0.33 -0.02 0.00 2.56 0.00 0.00 35.95 39.25 2bcb h PHE 10 CO -0.28 -0.32 -0.04 1.49 -2.02 0.00 0.00 178.31 177.13 2bcb h GLU 11 N -0.25 -0.05 -0.20 1.11 4.81 -0.45 0.24 114.58 119.80 2bcb h GLU 11 Ca 0.14 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.43 2bcb h GLU 11 Cb 0.47 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 2bcb h GLU 11 CO -0.40 -0.03 -0.20 0.87 -0.73 0.00 0.00 179.01 178.51 2bcb h LYS 12 N -0.05 -0.21 -0.37 1.92 1.57 -0.31 -0.42 116.57 118.70 2bcb h LYS 12 Ca 0.03 0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 2bcb h LYS 12 Cb 0.10 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2bcb h LYS 12 CO -0.08 -0.14 -0.37 1.88 -0.57 0.00 0.00 179.45 180.18 2bcb h TYR 13 N -0.22 1.09 -0.88 -1.35 -1.99 -0.91 -2.83 116.97 109.88 2bcb h TYR 13 Ca 0.12 -0.33 0.20 0.00 2.00 0.00 0.00 58.73 60.73 2bcb h TYR 13 Cb 0.41 -0.23 -0.06 0.00 2.00 0.00 0.00 36.73 38.85 2bcb h TYR 13 CO -0.34 1.14 0.59 0.00 -0.00 0.00 0.00 178.16 179.55 2bcb h ALA 14 N 0.76 2.29 -0.00 3.88 0.00 0.17 0.10 119.26 126.46 2bcb h ALA 14 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2bcb h ALA 14 Cb 0.96 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2bcb h ALA 14 CO 0.09 -0.57 0.00 0.00 0.00 0.00 0.00 179.25 178.78 2bcb n ALA 15 N -2.55 2.67 0.13 0.00 0.00 -0.23 -3.89 120.51 116.64 2bcb n ALA 15 Ca 0.18 -0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 2bcb n ALA 15 Cb 0.72 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 18.64 2bcb n ALA 15 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2bcb h LYS 16 N 0.14 -0.49 0.00 0.00 1.63 -0.78 -3.44 116.57 113.63 2bcb h LYS 16 Ca 0.00 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2bcb h LYS 16 Cb 0.03 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 2bcb h LYS 16 CO 0.00 -0.33 0.00 -0.85 -3.45 0.00 0.00 179.45 174.82 2bcb n GLU 17 N -5.39 0.00 -0.44 1.90 -0.00 -1.26 -5.14 120.64 110.32 2bcb n GLU 17 Ca -0.07 0.00 -0.29 0.00 -0.00 0.00 0.00 57.16 56.80 2bcb n GLU 17 Cb 0.30 0.00 0.25 0.00 -0.00 0.00 0.00 31.44 31.98 2bcb n GLU 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2bcb n GLY 18 N 1.24 -2.73 3.68 -1.84 0.00 -1.25 -4.90 105.19 99.38 2bcb n GLY 18 Ca 0.00 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 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 -4.31 4.09 0.14 1.61 2.03 -1.26 -4.50 116.55 114.35 2bcb n ASP 19 Ca 0.05 0.96 0.04 0.00 0.52 0.00 0.00 54.79 56.36 2bcb n ASP 19 Cb 0.56 -1.54 0.24 0.00 -0.72 0.00 0.00 41.12 39.66 2bcb n ASP 19 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2bcb n PRO 20 N 6.31 0.06 0.06 -0.67 -0.04 -1.25 -0.18 135.00 139.29 2bcb n PRO 20 Ca 0.19 0.50 0.11 0.00 -0.04 0.00 0.00 63.50 64.26 2bcb n PRO 20 Cb 0.38 -2.08 -0.02 0.00 -0.04 0.00 0.00 33.50 31.74 2bcb n PRO 20 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2bcb n ASN 21 N -1.87 0.60 -4.60 3.54 3.02 -1.26 -4.41 115.26 110.28 2bcb n ASN 21 Ca -0.01 0.11 -0.32 0.00 -0.03 0.00 0.00 54.58 54.34 2bcb n ASN 21 Cb 0.39 0.86 -0.10 0.00 -0.61 0.00 0.00 39.78 40.31 2bcb n ASN 21 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2bcb s GLN 22 N -3.35 2.48 -0.39 3.52 1.11 0.75 -3.73 119.66 120.04 2bcb s GLN 22 Ca -0.01 -0.79 -0.10 0.00 0.01 0.00 0.00 55.36 54.47 2bcb s GLN 22 Cb 0.12 -2.47 0.05 0.00 -1.01 0.00 0.00 33.01 29.70 2bcb s GLN 22 CO 0.82 0.58 0.23 -0.51 0.01 0.00 0.00 175.29 176.41 2bcb s LEU 23 N -1.63 4.90 0.97 2.90 1.43 0.61 -4.41 118.68 123.45 2bcb s LEU 23 Ca 0.19 -1.21 -0.12 0.00 -1.03 0.00 0.00 54.13 51.95 2bcb s LEU 23 Cb -0.11 -2.01 0.17 0.00 0.03 0.00 0.00 46.19 44.27 2bcb s LEU 23 CO 0.09 -0.45 1.09 -0.94 0.23 0.00 0.00 176.35 176.38 2bcb s SER 24 N 1.80 2.86 0.10 2.29 1.04 -1.26 -0.31 113.70 120.22 2bcb s SER 24 Ca 0.02 1.26 -0.24 0.00 0.48 0.00 0.00 55.95 57.47 2bcb s SER 24 Cb -0.21 -1.93 -0.12 0.00 0.10 0.00 0.00 66.02 63.87 2bcb s SER 24 CO 0.05 -2.99 1.70 0.50 0.98 0.00 0.00 173.24 173.48 2bcb h LYS 25 N -1.80 -0.19 -0.70 4.02 3.64 -1.97 0.25 116.57 119.82 2bcb h LYS 25 Ca -0.53 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 58.99 2bcb h LYS 25 Cb 1.32 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 33.09 2bcb h LYS 25 CO 0.57 -0.13 0.24 1.49 -2.27 0.00 0.00 179.45 179.35 2bcb h GLU 26 N -0.20 0.36 -0.31 1.90 4.81 -1.92 -0.60 114.58 118.63 2bcb h GLU 26 Ca 0.01 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 2bcb h GLU 26 Cb 0.21 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2bcb h GLU 26 CO -0.05 0.24 -0.02 1.49 -0.73 0.00 0.00 179.01 179.95 2bcb h GLU 27 N 0.37 0.56 -0.96 1.92 4.81 -1.74 -2.94 114.58 116.61 2bcb h GLU 27 Ca 0.38 -0.19 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 2bcb h GLU 27 Cb 0.57 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 2bcb h GLU 27 CO -0.41 0.71 0.63 1.25 -0.73 0.00 0.00 179.01 180.46 2bcb h LEU 28 N 0.35 1.06 0.02 1.64 5.85 0.20 -1.67 115.31 122.76 2bcb h LEU 28 Ca 0.09 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2bcb h LEU 28 Cb 0.47 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2bcb h LEU 28 CO 0.02 0.73 -0.14 0.50 -0.34 0.00 0.00 178.44 179.22 2bcb h LYS 29 N 1.23 -0.18 -0.69 1.25 1.63 -0.95 0.74 116.57 119.60 2bcb h LYS 29 Ca 0.37 0.01 0.15 0.00 -0.85 0.00 0.00 60.65 60.34 2bcb h LYS 29 Cb -0.03 0.04 -0.11 0.00 -0.60 0.00 0.00 32.23 31.53 2bcb h LYS 29 CO -0.11 -0.12 0.06 1.37 -3.45 0.00 0.00 179.45 177.20 2bcb h LEU 30 N -0.19 -0.19 0.17 5.20 -0.00 -1.49 0.49 115.31 119.31 2bcb h LEU 30 Ca -0.00 0.16 0.01 0.00 -0.00 0.00 0.00 57.88 58.05 2bcb h LEU 30 Cb 0.19 0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 41.07 2bcb h LEU 30 CO -0.08 -0.10 -0.48 0.25 -0.00 0.00 0.00 178.44 178.04 2bcb h LEU 31 N 0.17 -1.41 0.09 0.17 6.46 -0.82 0.63 115.31 120.59 2bcb h LEU 31 Ca 0.37 0.14 0.02 0.00 -0.12 0.00 0.00 57.88 58.29 2bcb h LEU 31 Cb 0.63 0.51 -0.03 0.00 -0.73 0.00 0.00 40.66 41.04 2bcb h LEU 31 CO -0.55 -0.52 -0.21 -0.07 -0.62 0.00 0.00 178.44 176.46 2bcb h LEU 32 N -0.72 -0.61 -0.91 2.25 3.38 -0.31 0.11 115.31 118.50 2bcb h LEU 32 Ca -0.01 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.10 2bcb h LEU 32 Cb 0.70 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 2bcb h LEU 32 CO -0.23 -0.30 0.57 0.06 0.09 0.00 0.00 178.44 178.63 2bcb h GLN 33 N -0.39 0.99 0.02 1.13 3.07 -0.72 0.27 115.11 119.47 2bcb h GLN 33 Ca 0.03 -0.06 -0.08 0.00 0.09 0.00 0.00 58.65 58.63 2bcb h GLN 33 Cb 0.42 -0.22 -0.01 0.00 0.08 0.00 0.00 27.48 27.76 2bcb h GLN 33 CO -0.13 0.65 -0.44 1.15 0.09 0.00 0.00 178.83 180.15 2bcb h THR 34 N 1.02 1.53 0.00 1.86 2.02 -0.62 -3.33 112.91 115.39 2bcb h THR 34 Ca 0.40 -2.33 -0.23 0.00 0.77 0.00 0.00 66.41 65.02 2bcb h THR 34 Cb 0.21 3.08 -0.04 0.00 -1.74 0.00 0.00 68.15 69.66 2bcb h THR 34 CO -0.19 0.56 -1.69 -0.62 0.37 0.00 0.00 175.52 173.96 2bcb n GLU 35 N -4.49 0.64 -2.55 6.66 -0.58 0.34 -4.56 120.64 116.10 2bcb n GLU 35 Ca -0.16 0.19 -0.17 0.00 -0.42 0.00 0.00 57.16 56.60 2bcb n GLU 35 Cb 0.58 -1.75 0.02 0.00 -0.57 0.00 0.00 31.44 29.72 2bcb n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2bcb n PHE 36 N -2.89 2.27 -0.35 -0.32 3.72 0.90 -4.95 117.46 115.85 2bcb n PHE 36 Ca -0.15 -2.86 0.11 0.00 -0.05 0.00 0.00 57.45 54.50 2bcb n PHE 36 Cb 0.94 -0.23 0.31 0.00 -0.94 0.00 0.00 39.48 39.56 2bcb n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2bcb h PRO 37 N 2.74 0.79 0.00 -1.08 0.13 -1.57 0.11 132.00 133.12 2bcb h PRO 37 Ca 0.11 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 2bcb h PRO 37 Cb 1.09 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 2bcb h PRO 37 CO 0.65 0.52 -0.45 0.66 -0.23 0.00 0.00 178.00 179.16 2bcb h SER 38 N 0.82 0.00 -0.78 1.44 4.64 -1.92 -3.40 113.55 114.35 2bcb h SER 38 Ca 0.54 -0.07 0.23 0.00 -0.47 0.00 0.00 61.79 62.01 2bcb h SER 38 Cb 0.78 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.84 2bcb h SER 38 CO -0.32 0.77 0.65 -0.07 -0.87 0.00 0.00 176.83 176.99 2bcb h LEU 39 N -1.00 0.00 -2.28 5.97 3.38 -1.92 0.21 115.31 119.67 2bcb h LEU 39 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2bcb h LEU 39 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2bcb h LEU 39 CO -0.02 0.00 -0.04 0.17 0.09 0.00 0.00 178.44 178.65 2bcb h LEU 40 N 0.00 0.00 -5.37 1.67 8.10 -0.97 -3.35 115.31 115.39 2bcb h LEU 40 Ca 0.37 0.00 -0.53 0.00 0.11 0.00 0.00 57.88 57.83 2bcb h LEU 40 Cb 1.67 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 41.91 2bcb h LEU 40 CO -0.00 0.04 3.10 0.29 -4.11 0.00 0.00 178.44 177.76 2bcb n LYS 41 N -3.31 2.71 0.05 0.17 5.02 0.06 -4.55 118.16 118.31 2bcb n LYS 41 Ca -0.02 -1.83 -0.11 0.00 -2.02 0.00 0.00 58.31 54.33 2bcb n LYS 41 Cb 0.17 -2.66 -0.08 0.00 -0.02 0.00 0.00 35.03 32.44 2bcb n LYS 41 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2bcb h GLY 42 N 8.25 -0.21 0.00 0.72 0.00 -1.85 -3.49 103.07 106.49 2bcb h GLY 42 Ca 0.64 0.08 0.00 0.00 0.00 0.00 0.00 47.33 48.05 2bcb h GLY 42 CO 1.63 -0.08 0.00 0.61 0.00 0.00 0.00 176.54 178.71 2bcb n GLY 43 N 0.50 0.19 3.62 4.60 0.00 -1.26 -5.13 105.19 107.72 2bcb n GLY 43 Ca -0.08 0.20 -0.49 0.00 0.00 0.00 0.00 46.02 45.65 2bcb n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bcb n SER 44 N 0.00 2.10 -4.66 1.61 7.64 -1.26 -4.97 113.62 114.08 2bcb n SER 44 Ca 0.00 1.12 -0.29 0.00 1.01 0.00 0.00 58.87 60.70 2bcb n SER 44 Cb 0.00 -1.29 0.17 0.00 -1.01 0.00 0.00 64.21 62.08 2bcb n SER 44 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2bcb s THR 45 N 0.38 2.38 0.25 0.44 -4.23 -1.26 -4.58 115.64 109.02 2bcb s THR 45 Ca 0.78 0.12 -0.05 0.00 -1.18 0.00 0.00 61.69 61.36 2bcb s THR 45 Cb -0.82 -2.45 0.28 0.00 1.34 0.00 0.00 72.50 70.85 2bcb s THR 45 CO 0.46 -0.16 1.64 0.25 -0.54 0.00 0.00 174.62 176.27 2bcb h LEU 46 N -1.87 -0.28 0.44 4.79 5.85 -1.96 0.16 115.31 122.44 2bcb h LEU 46 Ca -0.52 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 2bcb h LEU 46 Cb 1.30 0.33 0.00 0.00 0.37 0.00 0.00 40.66 42.66 2bcb h LEU 46 CO 0.52 -0.17 -0.21 0.44 -0.34 0.00 0.00 178.44 178.68 2bcb h ASP 47 N 0.13 -0.50 -0.41 1.25 5.19 -1.97 0.13 116.42 120.24 2bcb h ASP 47 Ca 0.44 -0.08 0.06 0.00 -0.62 0.00 0.00 57.03 56.82 2bcb h ASP 47 Cb 0.78 0.13 -0.05 0.00 0.18 0.00 0.00 39.33 40.37 2bcb h ASP 47 CO -0.66 -0.19 0.11 -0.33 -3.12 0.00 0.00 179.24 175.05 2bcb h GLU 48 N -0.81 0.25 0.87 3.56 5.08 -1.73 0.37 114.58 122.18 2bcb h GLU 48 Ca -0.06 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2bcb h GLU 48 Cb 0.55 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2bcb h GLU 48 CO 0.10 0.16 -0.47 1.25 -1.00 0.00 0.00 179.01 179.05 2bcb h LEU 49 N 0.26 -1.15 -1.42 1.33 5.85 -0.66 0.11 115.31 119.63 2bcb h LEU 49 Ca 0.19 0.05 0.09 0.00 0.84 0.00 0.00 57.88 59.05 2bcb h LEU 49 Cb 0.21 0.31 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 2bcb h LEU 49 CO -0.22 -0.76 0.48 0.15 -0.34 0.00 0.00 178.44 177.75 2bcb h PHE 50 N -1.23 0.69 -0.39 1.25 3.04 -0.62 0.08 116.94 119.76 2bcb h PHE 50 Ca -0.12 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.74 2bcb h PHE 50 Cb 0.96 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 2bcb h PHE 50 CO -0.04 0.33 -0.17 0.93 -2.02 0.00 0.00 178.31 177.34 2bcb h GLU 51 N 0.66 0.81 -0.21 1.11 4.39 0.17 0.60 114.58 122.10 2bcb h GLU 51 Ca 0.33 -0.35 0.01 0.00 0.34 0.00 0.00 59.36 59.70 2bcb h GLU 51 Cb 0.43 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 2bcb h GLU 51 CO -0.12 0.97 0.11 1.49 -1.16 0.00 0.00 179.01 180.31 2bcb h GLU 52 N 0.61 0.23 -0.72 2.33 4.81 0.20 -2.84 114.58 119.21 2bcb h GLU 52 Ca 0.09 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2bcb h GLU 52 Cb 0.72 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 2bcb h GLU 52 CO 0.05 0.15 0.32 -0.07 -0.73 0.00 0.00 179.01 178.73 2bcb h LEU 53 N 0.24 0.97 -8.04 1.64 3.38 -0.83 -3.37 115.31 109.29 2bcb h LEU 53 Ca 0.09 -0.15 -0.54 0.00 0.09 0.00 0.00 57.88 57.36 2bcb h LEU 53 Cb 0.01 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.43 2bcb h LEU 53 CO -0.05 0.85 1.52 -0.62 0.09 0.00 0.00 178.44 180.23 2bcb s ASP 54 N -6.19 6.20 0.35 -0.43 -1.08 0.21 -4.73 116.67 110.99 2bcb s ASP 54 Ca -0.13 -1.63 0.22 0.00 -0.52 0.00 0.00 52.55 50.50 2bcb s ASP 54 Cb 0.15 -2.57 1.23 0.00 -1.46 0.00 0.00 42.92 40.26 2bcb s ASP 54 CO 0.81 -1.80 1.39 1.17 0.52 0.00 0.00 175.17 177.26 2bcb n LYS 55 N 8.68 -0.05 -0.00 4.34 4.81 -1.26 0.09 118.16 134.77 2bcb n LYS 55 Ca 0.40 1.18 0.10 0.00 -0.87 0.00 0.00 58.31 59.12 2bcb n LYS 55 Cb 0.48 -2.18 -0.12 0.00 0.02 0.00 0.00 35.03 33.23 2bcb n LYS 55 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2bcb n ASN 56 N -4.82 0.90 -3.52 3.14 4.05 -1.26 -5.03 115.26 108.72 2bcb n ASN 56 Ca 0.34 -0.91 -0.23 0.00 0.45 0.00 0.00 54.58 54.23 2bcb n ASN 56 Cb 1.22 1.06 0.04 0.00 1.23 0.00 0.00 39.78 43.33 2bcb n ASN 56 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2bcb n GLY 57 N 1.47 -1.10 0.00 8.20 0.00 0.11 -4.92 105.19 108.95 2bcb n GLY 57 Ca 0.03 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -2.59 0.00 0.03 1.61 5.75 -1.26 -5.08 116.55 115.01 2bcb n ASP 58 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.68 2bcb n ASP 58 Cb 0.59 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 2bcb n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bcb n GLY 59 N 0.06 -0.72 3.31 6.12 0.00 -1.26 -5.17 105.19 107.53 2bcb n GLY 59 Ca 0.00 0.18 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 1.31 0.59 1.61 8.01 -1.26 -3.78 118.70 123.19 2bcb s GLU 60 Ca 0.00 -1.54 0.10 0.00 0.01 0.00 0.00 54.97 53.53 2bcb s GLU 60 Cb 0.00 0.33 0.10 0.00 -4.31 0.00 0.00 34.13 30.24 2bcb s GLU 60 CO 0.00 -0.47 0.79 0.28 0.01 0.00 0.00 175.26 175.88 2bcb n VAL 61 N -0.31 0.00 -3.87 2.63 0.31 0.58 -4.59 118.33 113.08 2bcb n VAL 61 Ca 0.01 -2.00 -0.08 0.00 -0.01 0.00 0.00 64.34 62.26 2bcb n VAL 61 Cb 0.65 -0.47 -0.03 0.00 -0.91 0.00 0.00 33.84 33.09 2bcb n VAL 61 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2bcb s SER 62 N -4.66 -0.23 0.29 4.52 1.04 -1.26 -0.29 113.70 113.11 2bcb s SER 62 Ca 0.60 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 56.41 2bcb s SER 62 Cb -0.05 0.69 0.64 0.00 0.10 0.00 0.00 66.02 67.40 2bcb s SER 62 CO 0.38 -1.29 1.81 0.15 0.98 0.00 0.00 173.24 175.27 2bcb h PHE 63 N 2.06 1.12 -0.30 5.02 3.57 -1.96 0.11 116.94 126.55 2bcb h PHE 63 Ca -0.21 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.36 2bcb h PHE 63 Cb 1.25 -0.35 -0.05 0.00 2.79 0.00 0.00 35.95 39.59 2bcb h PHE 63 CO 0.42 0.36 -0.35 1.49 -2.23 0.00 0.00 178.31 178.00 2bcb h GLU 64 N 0.90 -0.21 -0.43 1.11 4.57 -1.96 -2.08 114.58 116.49 2bcb h GLU 64 Ca 0.53 0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.59 2bcb h GLU 64 Cb 0.67 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 2bcb h GLU 64 CO -0.31 -0.14 -0.26 1.05 -1.18 0.00 0.00 179.01 178.17 2bcb h GLU 65 N -0.21 0.93 -0.96 1.92 9.09 -1.78 -3.10 114.58 120.47 2bcb h GLU 65 Ca 0.05 -0.43 0.28 0.00 0.05 0.00 0.00 59.36 59.31 2bcb h GLU 65 Cb 0.35 -0.01 -0.04 0.00 -1.65 0.00 0.00 28.75 27.40 2bcb h GLU 65 CO -0.40 1.09 0.87 0.35 0.05 0.00 0.00 179.01 180.97 2bcb h PHE 66 N 0.76 0.00 -0.24 2.06 3.57 -0.12 0.14 116.94 123.11 2bcb h PHE 66 Ca 0.09 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.66 2bcb h PHE 66 Cb 0.84 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 2bcb h PHE 66 CO 0.06 0.00 0.20 1.96 -2.23 0.00 0.00 178.31 178.30 2bcb h GLN 67 N 0.00 0.00 -0.66 1.11 1.08 -1.36 0.47 115.11 115.76 2bcb h GLN 67 Ca 0.45 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.63 2bcb h GLN 67 Cb 2.19 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.58 2bcb h GLN 67 CO -0.00 0.00 0.32 0.28 -0.95 0.00 0.00 178.83 178.48 2bcb h VAL 68 N 0.00 1.21 -0.13 -0.54 2.07 -0.96 0.33 116.25 118.23 2bcb h VAL 68 Ca 0.11 -0.58 -0.12 0.00 0.82 0.00 0.00 66.70 66.94 2bcb h VAL 68 Cb 0.51 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2bcb h VAL 68 CO -0.00 0.24 -0.37 0.25 0.02 0.00 0.00 177.57 177.72 2bcb h LEU 69 N 0.92 0.55 -0.97 2.57 5.85 -0.28 0.51 115.31 124.46 2bcb h LEU 69 Ca 0.23 -0.59 0.22 0.00 0.84 0.00 0.00 57.88 58.58 2bcb h LEU 69 Cb 0.08 -0.16 -0.12 0.00 0.37 0.00 0.00 40.66 40.83 2bcb h LEU 69 CO -0.03 1.04 0.55 0.58 -0.34 0.00 0.00 178.44 180.25 2bcb h VAL 70 N 0.09 0.59 -0.15 1.05 2.07 -0.51 0.19 116.25 119.59 2bcb h VAL 70 Ca -0.01 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 2bcb h VAL 70 Cb 0.98 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2bcb h VAL 70 CO 0.08 0.11 -0.17 0.50 0.02 0.00 0.00 177.57 178.11 2bcb h LYS 71 N 0.61 0.39 0.00 1.57 3.64 -0.73 -3.33 116.57 118.72 2bcb h LYS 71 Ca 0.60 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.72 2bcb h LYS 71 Cb 1.05 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 2bcb h LYS 71 CO -0.45 0.78 -0.23 1.57 -2.27 0.00 0.00 179.45 178.85 2bcb h LYS 72 N 0.01 0.00 -0.09 1.90 5.09 0.16 -2.36 116.57 121.29 2bcb h LYS 72 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.76 2bcb h LYS 72 Cb 0.72 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.04 2bcb h LYS 72 CO 0.04 0.23 0.04 -0.84 -2.09 0.00 0.00 179.45 176.83 2bcb h ILE 73 N 0.00 1.04 -0.64 0.07 3.07 -0.96 0.45 117.51 120.53 2bcb h ILE 73 Ca -0.00 -0.11 -0.11 0.00 1.55 0.00 0.00 64.86 66.18 2bcb h ILE 73 Cb 0.72 0.93 -0.07 0.00 -0.27 0.00 0.00 36.82 38.13 2bcb h ILE 73 CO 0.03 0.04 0.14 -1.54 -1.05 0.00 0.00 178.15 175.77 2bcb n SER 74 N -4.50 5.12 0.00 2.16 3.41 -0.91 -5.00 113.62 113.91 2bcb n SER 74 Ca -0.02 -3.11 0.00 0.00 -0.26 0.00 0.00 58.87 55.49 2bcb n SER 74 Cb 0.10 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 2bcb n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88