#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bcb s SER 2 N 0.00 -0.13 0.62 4.39 1.04 -1.26 -5.01 113.70 113.36 2bcb s SER 2 Ca 0.00 -0.74 0.25 0.00 0.48 0.00 0.00 55.95 55.93 2bcb s SER 2 Cb 0.00 0.69 1.33 0.00 0.10 0.00 0.00 66.02 68.14 2bcb s SER 2 CO 0.00 -1.32 1.74 -0.65 0.98 0.00 0.00 173.24 173.99 2bcb h PRO 3 N 2.00 0.00 -1.03 4.02 0.11 -2.06 -1.77 132.00 133.27 2bcb h PRO 3 Ca -0.25 0.00 0.26 0.00 0.11 0.00 0.00 66.00 66.12 2bcb h PRO 3 Cb 1.24 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.25 2bcb h PRO 3 CO 0.31 0.00 0.65 1.49 -0.21 0.00 0.00 178.00 180.23 2bcb h GLU 4 N 0.00 0.45 0.21 1.05 4.81 -1.98 0.18 114.58 119.30 2bcb h GLU 4 Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2bcb h GLU 4 Cb 0.81 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 2bcb h GLU 4 CO 0.00 0.30 -0.16 0.93 -0.73 0.00 0.00 179.01 179.35 2bcb h GLU 5 N 0.46 -0.37 -0.49 1.92 5.08 -1.74 0.13 114.58 119.58 2bcb h GLU 5 Ca 0.61 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.94 2bcb h GLU 5 Cb 1.40 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 2bcb h GLU 5 CO -0.35 -0.24 0.09 -0.07 -1.00 0.00 0.00 179.01 177.43 2bcb h LEU 6 N -0.38 0.71 -0.25 1.33 3.38 -1.17 0.17 115.31 119.11 2bcb h LEU 6 Ca -0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2bcb h LEU 6 Cb 0.34 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2bcb h LEU 6 CO -0.01 0.73 0.09 0.50 0.09 0.00 0.00 178.44 179.83 2bcb h LYS 7 N 0.73 0.38 0.07 1.13 3.64 -0.43 0.18 116.57 122.27 2bcb h LYS 7 Ca 0.16 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2bcb h LYS 7 Cb 0.32 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2bcb h LYS 7 CO 0.00 0.44 -0.03 0.78 -2.27 0.00 0.00 179.45 178.37 2bcb h GLY 8 N 0.24 -0.09 0.83 5.01 0.00 -0.12 0.24 103.07 109.18 2bcb h GLY 8 Ca 0.08 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.46 2bcb h GLY 8 CO -0.00 -0.03 -0.04 -2.22 0.00 0.00 0.00 176.54 174.24 2bcb h ILE 9 N -0.11 0.88 -0.12 2.60 1.08 -0.91 0.16 117.51 121.08 2bcb h ILE 9 Ca -0.01 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.51 2bcb h ILE 9 Cb 0.09 0.88 -0.06 0.00 -3.07 0.00 0.00 36.82 34.66 2bcb h ILE 9 CO 0.01 0.00 -0.28 0.15 -0.69 0.00 0.00 178.15 177.34 2bcb h PHE 10 N -0.05 -0.77 -0.37 1.37 3.04 -0.44 -0.61 116.94 119.10 2bcb h PHE 10 Ca 0.03 0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.05 2bcb h PHE 10 Cb 0.10 0.36 -0.03 0.00 2.56 0.00 0.00 35.95 38.94 2bcb h PHE 10 CO -0.14 -0.36 0.17 1.49 -2.02 0.00 0.00 178.31 177.45 2bcb h GLU 11 N -0.36 0.34 -0.24 1.11 4.81 -0.63 0.17 114.58 119.77 2bcb h GLU 11 Ca 0.10 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.37 2bcb h GLU 11 Cb 0.51 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.75 2bcb h GLU 11 CO -0.33 0.22 -0.19 -0.22 -0.73 0.00 0.00 179.01 177.77 2bcb h LYS 12 N 0.35 -0.18 -0.13 1.92 3.64 -0.05 0.11 116.57 122.23 2bcb h LYS 12 Ca 0.16 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 2bcb h LYS 12 Cb 0.09 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2bcb h LYS 12 CO -0.13 -0.12 -0.13 1.88 -2.27 0.00 0.00 179.45 178.68 2bcb h TYR 13 N -0.18 0.39 -0.84 1.91 -1.99 -0.78 -3.13 116.97 112.34 2bcb h TYR 13 Ca 0.14 -0.12 0.18 0.00 2.00 0.00 0.00 58.73 60.93 2bcb h TYR 13 Cb 0.39 -0.08 -0.11 0.00 2.00 0.00 0.00 36.73 38.93 2bcb h TYR 13 CO -0.35 0.72 0.37 0.00 -0.00 0.00 0.00 178.16 178.90 2bcb h ALA 14 N 0.60 1.27 -0.99 3.88 0.00 -0.27 -1.37 119.26 122.38 2bcb h ALA 14 Ca 0.02 0.13 0.27 0.00 0.00 0.00 0.00 54.91 55.33 2bcb h ALA 14 Cb 0.66 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 2bcb h ALA 14 CO 0.03 -0.23 0.69 0.00 0.00 0.00 0.00 179.25 179.74 2bcb h ALA 15 N 1.62 2.68 -0.91 0.00 0.00 -0.72 -0.15 119.26 121.78 2bcb h ALA 15 Ca 0.49 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.45 2bcb h ALA 15 Cb 0.81 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 2bcb h ALA 15 CO -0.45 -0.99 0.59 0.87 0.00 0.00 0.00 179.25 179.27 2bcb h LYS 16 N 0.15 1.04 0.00 0.00 6.56 -1.35 0.82 116.57 123.78 2bcb h LYS 16 Ca 0.50 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 60.03 2bcb h LYS 16 Cb 1.71 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 33.13 2bcb h LYS 16 CO -0.09 0.69 0.00 0.39 -2.06 0.00 0.00 179.45 178.37 2bcb n GLU 17 N -4.48 0.25 0.00 3.15 -0.58 -0.07 -4.90 120.64 114.01 2bcb n GLU 17 Ca 0.13 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 2bcb n GLU 17 Cb 0.17 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 2bcb n GLU 17 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2bcb n GLY 18 N 0.44 2.32 3.63 0.62 0.00 0.28 -4.95 105.19 107.52 2bcb n GLY 18 Ca 0.09 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 2bcb n GLY 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bcb s ASP 19 N 0.00 6.11 0.00 1.61 -1.08 -1.26 -4.75 116.67 117.30 2bcb s ASP 19 Ca 0.00 2.02 0.26 0.00 -0.52 0.00 0.00 52.55 54.32 2bcb s ASP 19 Cb 0.00 -2.52 1.14 0.00 -1.46 0.00 0.00 42.92 40.07 2bcb s ASP 19 CO 0.00 -1.42 1.85 -0.81 0.52 0.00 0.00 175.17 175.31 2bcb n PRO 20 N 7.97 0.01 -0.03 4.34 -0.04 -1.26 -3.63 135.00 142.35 2bcb n PRO 20 Ca 0.23 0.04 -0.06 0.00 -0.04 0.00 0.00 63.50 63.67 2bcb n PRO 20 Cb 0.44 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 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 -1.49 0.59 -4.64 3.54 5.15 -1.26 -4.59 115.26 112.56 2bcb n ASN 21 Ca 0.07 0.28 -0.33 0.00 -0.60 0.00 0.00 54.58 53.99 2bcb n ASN 21 Cb 0.31 0.36 -0.10 0.00 -0.53 0.00 0.00 39.78 39.82 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 -2.67 2.77 -0.40 1.20 1.11 -1.24 -3.55 119.66 116.88 2bcb s GLN 22 Ca -0.06 -0.57 -0.11 0.00 0.01 0.00 0.00 55.36 54.63 2bcb s GLN 22 Cb 0.08 -2.64 0.05 0.00 -1.01 0.00 0.00 33.01 29.49 2bcb s GLN 22 CO 0.83 0.65 0.25 -0.51 0.01 0.00 0.00 175.29 176.51 2bcb s LEU 23 N -1.20 5.00 1.02 2.90 1.43 0.58 -4.46 118.68 123.95 2bcb s LEU 23 Ca 0.16 -1.23 -0.12 0.00 -1.03 0.00 0.00 54.13 51.91 2bcb s LEU 23 Cb -0.11 -2.03 0.20 0.00 0.03 0.00 0.00 46.19 44.28 2bcb s LEU 23 CO 0.06 -0.48 1.08 -0.94 0.23 0.00 0.00 176.35 176.30 2bcb s SER 24 N 1.89 2.33 0.12 2.29 1.04 -1.26 -0.11 113.70 120.00 2bcb s SER 24 Ca 0.02 1.43 -0.27 0.00 0.48 0.00 0.00 55.95 57.62 2bcb s SER 24 Cb -0.21 -2.12 -0.07 0.00 0.10 0.00 0.00 66.02 63.72 2bcb s SER 24 CO 0.05 -3.35 1.63 0.50 0.98 0.00 0.00 173.24 173.05 2bcb h LYS 25 N -2.04 -0.44 -0.53 4.02 3.64 -1.95 0.25 116.57 119.53 2bcb h LYS 25 Ca -0.55 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 58.97 2bcb h LYS 25 Cb 1.32 0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 33.15 2bcb h LYS 25 CO 0.53 -0.29 0.02 1.49 -2.27 0.00 0.00 179.45 178.93 2bcb h GLU 26 N -0.46 0.13 -0.56 1.90 4.81 -1.91 -1.47 114.58 117.02 2bcb h GLU 26 Ca 0.05 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2bcb h GLU 26 Cb 0.51 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 2bcb h GLU 26 CO -0.20 0.09 0.26 1.49 -0.73 0.00 0.00 179.01 179.92 2bcb h GLU 27 N 0.14 0.82 -0.60 1.92 4.57 -1.68 -2.58 114.58 117.16 2bcb h GLU 27 Ca 0.27 -0.13 0.06 0.00 -1.18 0.00 0.00 59.36 58.39 2bcb h GLU 27 Cb 0.41 -0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 28.80 2bcb h GLU 27 CO -0.43 0.67 0.29 1.25 -1.18 0.00 0.00 179.01 179.62 2bcb h LEU 28 N 0.76 0.40 -0.05 1.64 5.85 0.17 -2.37 115.31 121.72 2bcb h LEU 28 Ca 0.19 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.96 2bcb h LEU 28 Cb 0.13 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2bcb h LEU 28 CO -0.02 0.26 -0.15 0.50 -0.34 0.00 0.00 178.44 178.68 2bcb h LYS 29 N 0.55 -0.15 -0.83 1.25 1.63 -0.88 0.62 116.57 118.76 2bcb h LYS 29 Ca 0.28 0.01 0.20 0.00 -0.85 0.00 0.00 60.65 60.29 2bcb h LYS 29 Cb 0.22 0.03 -0.13 0.00 -0.60 0.00 0.00 32.23 31.76 2bcb h LYS 29 CO -0.21 -0.10 0.25 1.37 -3.45 0.00 0.00 179.45 177.31 2bcb h LEU 30 N -0.16 0.08 -0.01 5.20 -0.00 -1.50 0.91 115.31 119.83 2bcb h LEU 30 Ca 0.01 0.17 0.03 0.00 -0.00 0.00 0.00 57.88 58.09 2bcb h LEU 30 Cb 0.19 0.21 -0.05 0.00 -0.00 0.00 0.00 40.66 41.00 2bcb h LEU 30 CO -0.13 -0.07 -0.35 0.25 -0.00 0.00 0.00 178.44 178.13 2bcb h LEU 31 N 0.28 -1.07 -0.01 0.17 6.46 -0.73 0.65 115.31 121.07 2bcb h LEU 31 Ca 0.50 0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 58.40 2bcb h LEU 31 Cb 0.93 0.43 -0.00 0.00 -0.73 0.00 0.00 40.66 41.29 2bcb h LEU 31 CO -0.57 -0.41 0.00 -0.07 -0.62 0.00 0.00 178.44 176.77 2bcb h LEU 32 N -0.50 0.01 -0.77 2.25 3.38 0.44 0.72 115.31 120.83 2bcb h LEU 32 Ca 0.06 -0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.04 2bcb h LEU 32 Cb 0.59 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.27 2bcb h LEU 32 CO -0.29 0.09 0.41 1.56 0.09 0.00 0.00 178.44 180.30 2bcb h GLN 33 N -0.08 0.67 0.00 1.13 1.08 -0.59 0.30 115.11 117.62 2bcb h GLN 33 Ca 0.00 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 2bcb h GLN 33 Cb 0.08 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.36 2bcb h GLN 33 CO -0.00 0.44 -0.13 1.15 -0.95 0.00 0.00 178.83 179.34 2bcb h THR 34 N 0.69 0.93 0.00 -0.54 2.02 -0.72 -3.39 112.91 111.90 2bcb h THR 34 Ca 0.38 -1.74 -0.19 0.00 0.77 0.00 0.00 66.41 65.63 2bcb h THR 34 Cb 0.38 1.80 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 2bcb h THR 34 CO -0.26 0.32 -1.92 -0.62 0.37 0.00 0.00 175.52 173.40 2bcb n GLU 35 N -4.66 0.66 -3.02 6.66 4.71 0.23 -4.73 120.64 120.49 2bcb n GLU 35 Ca -0.08 0.02 -0.19 0.00 -0.01 0.00 0.00 57.16 56.91 2bcb n GLU 35 Cb 0.30 -1.63 -0.02 0.00 -1.01 0.00 0.00 31.44 29.08 2bcb n GLU 35 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 2bcb n PHE 36 N -2.67 1.26 0.29 -0.32 3.01 0.93 -4.94 117.46 115.02 2bcb n PHE 36 Ca -0.16 -3.66 -0.12 0.00 1.01 0.00 0.00 57.45 54.51 2bcb n PHE 36 Cb 0.88 -0.41 -0.06 0.00 -0.01 0.00 0.00 39.48 39.88 2bcb n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2bcb h PRO 37 N 2.97 -0.76 0.17 -1.08 0.13 -1.41 -3.36 132.00 128.67 2bcb h PRO 37 Ca 0.09 0.05 -0.31 0.00 -0.87 0.00 0.00 66.00 64.96 2bcb h PRO 37 Cb 0.91 0.17 0.01 0.00 0.13 0.00 0.00 31.00 32.22 2bcb h PRO 37 CO 0.58 -0.50 -1.46 0.66 -0.23 0.00 0.00 178.00 177.04 2bcb h SER 38 N -1.21 0.55 -0.04 1.44 4.64 -1.93 -3.37 113.55 113.64 2bcb h SER 38 Ca -0.08 -0.67 0.01 0.00 -0.47 0.00 0.00 61.79 60.59 2bcb h SER 38 Cb 0.60 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2bcb h SER 38 CO 0.13 1.54 0.52 -0.07 -0.87 0.00 0.00 176.83 178.08 2bcb h LEU 39 N 0.10 0.00 0.00 5.97 3.38 -1.93 -3.31 115.31 119.52 2bcb h LEU 39 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2bcb h LEU 39 Cb 2.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.81 2bcb h LEU 39 CO 0.21 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.92 2bcb n LEU 40 N -2.84 0.05 0.00 1.67 4.77 -1.26 -4.82 117.00 114.58 2bcb n LEU 40 Ca -0.01 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2bcb n LEU 40 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2bcb n LEU 40 CO 0.11 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.46 2bcb n LYS 41 N -0.20 0.00 -1.01 3.23 5.02 -1.25 -4.88 118.16 119.07 2bcb n LYS 41 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2bcb n LYS 41 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2bcb n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bcb n GLY 42 N -1.04 0.57 2.58 0.72 0.00 -1.26 -5.04 105.19 101.72 2bcb n GLY 42 Ca 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.60 1.28 3.63 -0.02 0.00 -1.26 -5.12 105.19 103.10 2bcb n GLY 43 Ca 0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 2bcb n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bcb s SER 44 N -0.98 -0.46 0.69 1.61 0.01 -1.26 -5.12 113.70 108.19 2bcb s SER 44 Ca 0.13 0.85 -0.11 0.00 1.31 0.00 0.00 55.95 58.12 2bcb s SER 44 Cb 0.36 0.85 0.01 0.00 0.21 0.00 0.00 66.02 67.44 2bcb s SER 44 CO -0.09 -0.18 1.09 0.42 0.41 0.00 0.00 173.24 174.88 2bcb s THR 45 N 0.09 3.69 0.25 1.44 -4.23 -1.26 -4.83 115.64 110.79 2bcb s THR 45 Ca 0.02 0.55 -0.04 0.00 -1.18 0.00 0.00 61.69 61.04 2bcb s THR 45 Cb -0.05 -3.54 0.22 0.00 1.34 0.00 0.00 72.50 70.48 2bcb s THR 45 CO -0.05 -0.72 1.72 0.25 -0.54 0.00 0.00 174.62 175.29 2bcb h LEU 46 N -0.60 0.25 0.77 4.79 5.85 -2.02 0.25 115.31 124.59 2bcb h LEU 46 Ca -0.45 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 2bcb h LEU 46 Cb 1.24 0.10 0.01 0.00 0.37 0.00 0.00 40.66 42.38 2bcb h LEU 46 CO 0.63 0.09 -0.37 -0.78 -0.34 0.00 0.00 178.44 177.67 2bcb h ASP 47 N 0.42 -0.87 -0.47 1.25 3.58 -1.97 0.17 116.42 118.53 2bcb h ASP 47 Ca 0.42 0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.97 2bcb h ASP 47 Cb 0.65 0.23 -0.07 0.00 1.72 0.00 0.00 39.33 41.85 2bcb h ASP 47 CO -0.42 -0.57 0.05 -0.33 -2.88 0.00 0.00 179.24 175.09 2bcb h GLU 48 N -1.13 0.17 0.92 0.28 5.08 -1.83 0.37 114.58 118.43 2bcb h GLU 48 Ca -0.11 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2bcb h GLU 48 Cb 0.81 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.03 2bcb h GLU 48 CO 0.17 0.11 -0.45 1.25 -1.00 0.00 0.00 179.01 179.10 2bcb h LEU 49 N 0.17 -1.06 -1.45 1.33 5.85 -0.86 0.62 115.31 119.91 2bcb h LEU 49 Ca 0.23 0.04 0.08 0.00 0.84 0.00 0.00 57.88 59.07 2bcb h LEU 49 Cb 0.33 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 2bcb h LEU 49 CO -0.35 -0.75 0.45 0.15 -0.34 0.00 0.00 178.44 177.60 2bcb h PHE 50 N -1.24 0.67 -0.42 1.25 3.57 -0.52 -0.09 116.94 120.16 2bcb h PHE 50 Ca -0.13 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.31 2bcb h PHE 50 Cb 0.95 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 2bcb h PHE 50 CO 0.02 0.34 -0.07 0.93 -2.23 0.00 0.00 178.31 177.30 2bcb h GLU 51 N 0.65 0.78 -0.26 1.11 4.39 0.03 0.52 114.58 121.79 2bcb h GLU 51 Ca 0.31 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2bcb h GLU 51 Cb 0.36 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 2bcb h GLU 51 CO -0.10 0.89 0.17 1.49 -1.16 0.00 0.00 179.01 180.30 2bcb h GLU 52 N 0.60 0.35 -0.74 2.33 4.57 0.15 -2.77 114.58 119.07 2bcb h GLU 52 Ca 0.11 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.27 2bcb h GLU 52 Cb 0.58 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.06 2bcb h GLU 52 CO 0.03 0.26 0.49 -0.07 -1.18 0.00 0.00 179.01 178.54 2bcb h LEU 53 N 0.35 0.85 -5.61 1.64 3.38 -0.80 -3.27 115.31 111.85 2bcb h LEU 53 Ca 0.10 -0.02 -0.69 0.00 0.09 0.00 0.00 57.88 57.35 2bcb h LEU 53 Cb -0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2bcb h LEU 53 CO -0.02 0.62 3.42 -0.67 0.09 0.00 0.00 178.44 181.88 2bcb n ASP 54 N -4.57 5.78 0.28 -0.43 -0.08 0.18 -4.60 116.55 113.11 2bcb n ASP 54 Ca 0.07 -2.73 0.14 0.00 -1.51 0.00 0.00 54.79 50.76 2bcb n ASP 54 Cb 0.02 -1.61 0.84 0.00 2.34 0.00 0.00 41.12 42.70 2bcb n ASP 54 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2bcb h LYS 55 N 5.63 0.00 -0.02 -0.67 1.57 -1.73 -0.20 116.57 121.15 2bcb h LYS 55 Ca 0.69 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.36 2bcb h LYS 55 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2bcb h LYS 55 CO 1.85 0.06 -0.50 -0.97 -0.57 0.00 0.00 179.45 179.31 2bcb h ASN 56 N 0.00 0.06 -5.38 0.86 -1.24 -1.86 -3.48 115.58 104.54 2bcb h ASN 56 Ca -0.00 -0.03 -0.01 0.00 0.71 0.00 0.00 56.30 56.97 2bcb h ASN 56 Cb 0.18 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.21 2bcb h ASN 56 CO 0.01 0.56 -0.16 0.61 -1.29 0.00 0.00 177.43 177.15 2bcb n GLY 57 N -0.05 -1.25 0.00 1.57 0.00 -0.09 -4.98 105.19 100.39 2bcb n GLY 57 Ca -0.02 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -1.38 0.00 0.00 1.61 5.75 -1.26 -5.04 116.55 116.23 2bcb n ASP 58 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 2bcb n ASP 58 Cb 0.49 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 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 0.31 0.42 3.18 6.12 0.00 -1.26 -5.15 105.19 108.80 2bcb n GLY 59 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.93 0.61 1.61 8.01 -1.26 -3.46 118.70 125.14 2bcb s GLU 60 Ca 0.00 -1.42 0.04 0.00 0.01 0.00 0.00 54.97 53.60 2bcb s GLU 60 Cb 0.00 -0.06 0.08 0.00 -4.31 0.00 0.00 34.13 29.84 2bcb s GLU 60 CO 0.00 -0.13 0.85 0.08 0.01 0.00 0.00 175.26 176.07 2bcb s VAL 61 N -3.78 2.33 0.19 2.63 1.01 0.84 -4.71 120.40 118.91 2bcb s VAL 61 Ca 0.18 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 2bcb s VAL 61 Cb 0.06 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.90 2bcb s VAL 61 CO -0.01 0.00 0.46 -0.94 0.00 0.00 0.00 175.10 174.61 2bcb s SER 62 N -4.61 -0.17 0.23 3.32 1.04 -1.26 -0.30 113.70 111.94 2bcb s SER 62 Ca 0.62 -0.61 -0.08 0.00 0.48 0.00 0.00 55.95 56.36 2bcb s SER 62 Cb -0.07 0.54 0.37 0.00 0.10 0.00 0.00 66.02 66.96 2bcb s SER 62 CO 0.40 -1.02 1.68 0.15 0.98 0.00 0.00 173.24 175.44 2bcb h PHE 63 N 2.30 0.16 -0.64 5.02 3.57 -1.95 0.13 116.94 125.52 2bcb h PHE 63 Ca -0.29 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.31 2bcb h PHE 63 Cb 1.25 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.95 2bcb h PHE 63 CO 0.37 -0.10 -0.38 -1.91 -2.23 0.00 0.00 178.31 174.06 2bcb n GLU 64 N -5.19 -0.28 -0.00 1.11 2.13 -1.26 -0.87 120.64 116.28 2bcb n GLU 64 Ca 0.11 1.27 -0.17 0.00 0.66 0.00 0.00 57.16 59.03 2bcb n GLU 64 Cb 0.39 -1.88 -0.07 0.00 0.27 0.00 0.00 31.44 30.16 2bcb n GLU 64 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 2bcb h GLU 65 N 0.00 0.75 -0.85 5.31 4.11 -1.77 -3.14 114.58 118.98 2bcb h GLU 65 Ca 0.10 -0.65 0.17 0.00 0.07 0.00 0.00 59.36 59.05 2bcb h GLU 65 Cb 0.26 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 2bcb h GLU 65 CO -0.60 1.25 0.56 0.35 0.07 0.00 0.00 179.01 180.64 2bcb h PHE 66 N 0.49 0.61 -0.61 2.06 3.57 0.23 0.11 116.94 123.40 2bcb h PHE 66 Ca -0.07 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.60 2bcb h PHE 66 Cb 1.46 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 2bcb h PHE 66 CO 0.09 0.21 0.43 1.96 -2.23 0.00 0.00 178.31 178.76 2bcb h GLN 67 N 0.50 0.15 -0.40 1.11 1.08 -0.95 0.29 115.11 116.89 2bcb h GLN 67 Ca 0.43 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.59 2bcb h GLN 67 Cb 0.92 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.29 2bcb h GLN 67 CO -0.17 0.10 0.12 0.28 -0.95 0.00 0.00 178.83 178.21 2bcb h VAL 68 N 0.15 1.17 0.19 -0.54 2.07 -0.95 -1.13 116.25 117.22 2bcb h VAL 68 Ca 0.29 -0.57 -0.26 0.00 0.82 0.00 0.00 66.70 66.98 2bcb h VAL 68 Cb 0.95 0.74 0.03 0.00 -1.52 0.00 0.00 31.29 31.48 2bcb h VAL 68 CO -0.04 0.21 -1.17 0.25 0.02 0.00 0.00 177.57 176.83 2bcb h LEU 69 N 0.57 0.64 -0.74 2.57 5.85 -0.63 -3.31 115.31 120.26 2bcb h LEU 69 Ca 0.14 -0.93 0.16 0.00 0.84 0.00 0.00 57.88 58.09 2bcb h LEU 69 Cb 0.17 -0.21 -0.13 0.00 0.37 0.00 0.00 40.66 40.87 2bcb h LEU 69 CO -0.01 1.56 -0.02 0.58 -0.34 0.00 0.00 178.44 180.22 2bcb h VAL 70 N -0.13 0.35 -0.95 1.05 2.07 -0.42 0.51 116.25 118.72 2bcb h VAL 70 Ca -0.21 -0.03 0.23 0.00 0.82 0.00 0.00 66.70 67.51 2bcb h VAL 70 Cb 1.90 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.85 2bcb h VAL 70 CO 0.20 0.02 0.63 0.50 0.02 0.00 0.00 177.57 178.94 2bcb h LYS 71 N 0.09 0.32 0.00 1.57 3.64 -1.30 -1.44 116.57 119.44 2bcb h LYS 71 Ca 0.40 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2bcb h LYS 71 Cb 0.68 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2bcb h LYS 71 CO -0.66 0.21 -1.70 1.63 -2.27 0.00 0.00 179.45 176.66 2bcb n LYS 72 N -4.49 0.49 -0.10 1.90 5.02 0.14 -4.38 118.16 116.73 2bcb n LYS 72 Ca 0.21 -0.14 0.05 0.00 -2.02 0.00 0.00 58.31 56.41 2bcb n LYS 72 Cb 0.80 -1.52 0.38 0.00 -0.02 0.00 0.00 35.03 34.67 2bcb n LYS 72 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2bcb h ILE 73 N 0.00 1.07 -0.79 -0.18 -0.00 0.78 0.60 117.51 118.99 2bcb h ILE 73 Ca 0.00 -0.23 -0.48 0.00 -0.00 0.00 0.00 64.86 64.15 2bcb h ILE 73 Cb 0.87 0.34 -0.26 0.00 -0.00 0.00 0.00 36.82 37.77 2bcb h ILE 73 CO 0.00 0.12 0.34 -0.24 -0.00 0.00 0.00 178.15 178.37 2bcb n SER 74 N -4.47 4.65 0.00 2.19 2.88 -1.23 -4.80 113.62 112.84 2bcb n SER 74 Ca 0.07 -3.73 0.00 0.00 -1.33 0.00 0.00 58.87 53.88 2bcb n SER 74 Cb 0.13 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 2bcb n SER 74 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48