#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 -0.74 -0.50 4.39 7.64 -1.26 -3.63 113.62 119.53 2bcb n SER 2 Ca 0.00 0.00 0.42 0.00 1.01 0.00 0.00 58.87 60.30 2bcb n SER 2 Cb 0.00 0.00 0.75 0.00 -1.01 0.00 0.00 64.21 63.95 2bcb n SER 2 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2bcb h PRO 3 N 0.00 0.04 -0.67 1.43 0.11 -2.00 0.25 132.00 131.16 2bcb h PRO 3 Ca 0.00 -0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.25 2bcb h PRO 3 Cb 0.00 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.06 2bcb h PRO 3 CO 0.00 0.03 0.46 0.93 -0.21 0.00 0.00 178.00 179.20 2bcb h GLU 4 N 0.04 0.30 0.35 1.05 4.39 -1.98 0.20 114.58 118.92 2bcb h GLU 4 Ca 0.76 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.43 2bcb h GLU 4 Cb 2.87 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 31.46 2bcb h GLU 4 CO -0.11 0.20 -0.18 0.93 -1.16 0.00 0.00 179.01 178.70 2bcb h GLU 5 N 0.31 -0.47 -0.16 2.33 5.08 -0.67 0.82 114.58 121.82 2bcb h GLU 5 Ca 0.33 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.66 2bcb h GLU 5 Cb 0.84 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2bcb h GLU 5 CO -0.08 -0.31 -0.17 -0.07 -1.00 0.00 0.00 179.01 177.37 2bcb h LEU 6 N -0.48 0.25 0.01 1.33 3.38 -1.28 -0.09 115.31 118.43 2bcb h LEU 6 Ca -0.05 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2bcb h LEU 6 Cb 0.38 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2bcb h LEU 6 CO 0.07 0.45 -0.01 0.50 0.09 0.00 0.00 178.44 179.55 2bcb h LYS 7 N 0.25 -0.02 -0.02 1.13 3.64 -0.31 0.19 116.57 121.44 2bcb h LYS 7 Ca 0.05 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2bcb h LYS 7 Cb 0.46 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 2bcb h LYS 7 CO 0.03 0.12 -0.10 0.78 -2.27 0.00 0.00 179.45 178.01 2bcb h GLY 8 N -0.15 -0.10 0.46 5.01 0.00 -0.23 0.05 103.07 108.13 2bcb h GLY 8 Ca -0.00 0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.48 2bcb h GLY 8 CO 0.00 -0.10 -0.19 -2.22 0.00 0.00 0.00 176.54 174.03 2bcb h ILE 9 N -0.16 0.53 -0.04 2.60 1.08 -0.94 0.16 117.51 120.73 2bcb h ILE 9 Ca 0.04 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.55 2bcb h ILE 9 Cb 0.21 0.53 -0.06 0.00 -3.07 0.00 0.00 36.82 34.44 2bcb h ILE 9 CO -0.11 0.00 -0.34 0.15 -0.69 0.00 0.00 178.15 177.16 2bcb h PHE 10 N -0.28 -0.95 -0.34 1.37 3.04 -0.37 -1.98 116.94 117.44 2bcb h PHE 10 Ca 0.08 0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.10 2bcb h PHE 10 Cb 0.38 0.43 -0.03 0.00 2.56 0.00 0.00 35.95 39.29 2bcb h PHE 10 CO -0.27 -0.43 0.14 1.49 -2.02 0.00 0.00 178.31 177.22 2bcb h GLU 11 N -0.47 0.29 -0.44 1.11 4.57 -0.63 0.18 114.58 119.19 2bcb h GLU 11 Ca 0.07 -0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.32 2bcb h GLU 11 Cb 0.58 -0.07 -0.10 0.00 -0.16 0.00 0.00 28.75 29.01 2bcb h GLU 11 CO -0.31 0.19 -0.26 -0.22 -1.18 0.00 0.00 179.01 177.23 2bcb h LYS 12 N 0.30 -0.17 -0.01 1.92 3.64 -0.23 0.49 116.57 122.51 2bcb h LYS 12 Ca 0.15 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.40 2bcb h LYS 12 Cb 0.10 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2bcb h LYS 12 CO -0.14 -0.11 -0.53 1.88 -2.27 0.00 0.00 179.45 178.28 2bcb h TYR 13 N -0.17 0.56 -0.84 1.91 -1.99 -1.04 -3.25 116.97 112.15 2bcb h TYR 13 Ca 0.20 -0.30 0.20 0.00 2.00 0.00 0.00 58.73 60.84 2bcb h TYR 13 Cb 0.49 -0.07 -0.05 0.00 2.00 0.00 0.00 36.73 39.10 2bcb h TYR 13 CO -0.51 1.11 0.57 0.00 -0.00 0.00 0.00 178.16 179.33 2bcb h ALA 14 N 0.33 2.33 0.00 3.88 0.00 -0.25 0.08 119.26 125.63 2bcb h ALA 14 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2bcb h ALA 14 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2bcb h ALA 14 CO 0.11 -0.58 0.00 0.00 0.00 0.00 0.00 179.25 178.77 2bcb h ALA 15 N 1.62 1.00 -0.76 0.00 0.00 -0.94 -3.33 119.26 116.85 2bcb h ALA 15 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2bcb h ALA 15 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2bcb h ALA 15 CO -0.12 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.76 2bcb n LYS 16 N -2.37 0.00 -4.07 0.00 4.01 0.02 -4.85 118.16 110.90 2bcb n LYS 16 Ca -0.01 0.37 -0.31 0.00 -0.51 0.00 0.00 58.31 57.85 2bcb n LYS 16 Cb 0.08 -0.90 -0.07 0.00 -0.51 0.00 0.00 35.03 33.63 2bcb n LYS 16 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2bcb s GLU 17 N -0.83 2.94 3.36 1.97 2.12 -1.25 -5.00 118.70 122.01 2bcb s GLU 17 Ca 0.00 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 54.70 2bcb s GLU 17 Cb 0.00 -2.77 0.00 0.00 0.26 0.00 0.00 34.13 31.62 2bcb s GLU 17 CO 0.00 0.59 0.00 0.41 -0.54 0.00 0.00 175.26 175.72 2bcb n GLY 18 N 0.67 0.31 3.79 -1.50 0.00 -1.26 -4.71 105.19 102.48 2bcb n GLY 18 Ca -0.10 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 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 -4.00 7.28 0.54 1.61 -1.08 -1.26 -4.94 116.67 114.82 2bcb s ASP 19 Ca 0.00 1.54 0.24 0.00 -0.52 0.00 0.00 52.55 53.81 2bcb s ASP 19 Cb 0.00 -2.46 1.29 0.00 -1.46 0.00 0.00 42.92 40.29 2bcb s ASP 19 CO 0.00 0.19 1.70 1.55 0.52 0.00 0.00 175.17 179.13 2bcb h PRO 20 N 4.20 0.00 0.00 4.34 0.13 -1.86 0.90 132.00 139.71 2bcb h PRO 20 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2bcb h PRO 20 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2bcb h PRO 20 CO 0.65 0.00 -0.38 -0.97 -0.23 0.00 0.00 178.00 177.08 2bcb h ASN 21 N 0.00 0.00 -4.01 1.44 -1.24 -1.93 -3.38 115.58 106.46 2bcb h ASN 21 Ca 0.00 -0.10 -0.69 0.00 0.71 0.00 0.00 56.30 56.22 2bcb h ASN 21 Cb 0.64 0.00 -0.23 0.00 0.73 0.00 0.00 38.32 39.46 2bcb h ASN 21 CO 0.00 0.05 -0.83 -1.10 -1.29 0.00 0.00 177.43 174.26 2bcb s GLN 22 N -3.16 1.89 -0.41 6.67 1.11 0.31 -3.36 119.66 122.70 2bcb s GLN 22 Ca 0.07 -1.08 -0.11 0.00 0.01 0.00 0.00 55.36 54.26 2bcb s GLN 22 Cb 0.12 -2.09 0.06 0.00 -1.01 0.00 0.00 33.01 30.08 2bcb s GLN 22 CO 0.68 0.52 0.26 -0.51 0.01 0.00 0.00 175.29 176.25 2bcb s LEU 23 N -1.55 5.08 0.96 2.90 1.43 0.74 -4.45 118.68 123.79 2bcb s LEU 23 Ca 0.14 -1.31 -0.12 0.00 -1.03 0.00 0.00 54.13 51.82 2bcb s LEU 23 Cb -0.10 -2.03 0.17 0.00 0.03 0.00 0.00 46.19 44.25 2bcb s LEU 23 CO 0.05 -0.50 1.10 -0.94 0.23 0.00 0.00 176.35 176.28 2bcb s SER 24 N 2.00 2.96 0.11 2.29 1.04 -1.26 -0.12 113.70 120.72 2bcb s SER 24 Ca 0.03 1.26 -0.22 0.00 0.48 0.00 0.00 55.95 57.50 2bcb s SER 24 Cb -0.22 -1.93 -0.08 0.00 0.10 0.00 0.00 66.02 63.90 2bcb s SER 24 CO 0.04 -2.93 1.71 0.50 0.98 0.00 0.00 173.24 173.55 2bcb h LYS 25 N -1.75 -0.04 -0.45 4.02 3.64 -1.97 0.17 116.57 120.19 2bcb h LYS 25 Ca -0.53 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 58.93 2bcb h LYS 25 Cb 1.31 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 33.08 2bcb h LYS 25 CO 0.57 -0.02 0.05 1.49 -2.27 0.00 0.00 179.45 179.27 2bcb h GLU 26 N -0.04 0.17 -0.28 1.90 4.81 -1.96 -0.39 114.58 118.79 2bcb h GLU 26 Ca 0.06 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2bcb h GLU 26 Cb 0.12 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2bcb h GLU 26 CO -0.13 0.11 0.16 1.49 -0.73 0.00 0.00 179.01 179.91 2bcb h GLU 27 N 0.17 0.38 -0.86 1.92 4.57 -1.73 -2.53 114.58 116.51 2bcb h GLU 27 Ca 0.22 -0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.43 2bcb h GLU 27 Cb 0.31 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.75 2bcb h GLU 27 CO -0.33 0.32 0.53 1.25 -1.18 0.00 0.00 179.01 179.60 2bcb h LEU 28 N 0.34 0.82 0.05 1.64 5.85 -0.15 -1.36 115.31 122.50 2bcb h LEU 28 Ca 0.10 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2bcb h LEU 28 Cb 0.04 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2bcb h LEU 28 CO -0.02 0.51 -0.19 0.50 -0.34 0.00 0.00 178.44 178.91 2bcb h LYS 29 N 0.95 -0.26 -0.66 1.25 1.63 -0.64 0.21 116.57 119.05 2bcb h LYS 29 Ca 0.39 0.02 0.13 0.00 -0.85 0.00 0.00 60.65 60.34 2bcb h LYS 29 Cb 0.21 0.06 -0.10 0.00 -0.60 0.00 0.00 32.23 31.81 2bcb h LYS 29 CO -0.19 -0.18 0.14 1.37 -3.45 0.00 0.00 179.45 177.14 2bcb h LEU 30 N -0.27 -0.01 -0.16 5.20 -0.00 -1.38 0.90 115.31 119.58 2bcb h LEU 30 Ca -0.00 0.13 0.03 0.00 -0.00 0.00 0.00 57.88 58.04 2bcb h LEU 30 Cb 0.27 0.18 -0.06 0.00 -0.00 0.00 0.00 40.66 41.05 2bcb h LEU 30 CO -0.10 -0.02 -0.53 0.25 -0.00 0.00 0.00 178.44 178.05 2bcb h LEU 31 N 0.26 -1.68 -0.53 0.17 6.46 -0.72 0.11 115.31 119.37 2bcb h LEU 31 Ca 0.36 0.20 -0.04 0.00 -0.12 0.00 0.00 57.88 58.28 2bcb h LEU 31 Cb 0.57 0.66 -0.02 0.00 -0.73 0.00 0.00 40.66 41.13 2bcb h LEU 31 CO -0.46 -0.46 0.19 -0.07 -0.62 0.00 0.00 178.44 177.02 2bcb h LEU 32 N -0.55 0.75 -0.93 2.25 3.38 -0.39 -0.18 115.31 119.64 2bcb h LEU 32 Ca 0.03 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 57.89 2bcb h LEU 32 Cb 0.65 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 2bcb h LEU 32 CO -0.44 0.74 0.59 0.06 0.09 0.00 0.00 178.44 179.48 2bcb h GLN 33 N 0.72 1.00 0.13 1.13 3.07 -0.40 0.32 115.11 121.09 2bcb h GLN 33 Ca 0.17 -0.06 -0.01 0.00 0.09 0.00 0.00 58.65 58.85 2bcb h GLN 33 Cb 0.23 -0.23 0.00 0.00 0.08 0.00 0.00 27.48 27.57 2bcb h GLN 33 CO -0.01 0.66 -0.06 1.15 0.09 0.00 0.00 178.83 180.66 2bcb h THR 34 N 1.03 0.62 -0.01 1.86 2.02 -0.35 -3.37 112.91 114.71 2bcb h THR 34 Ca 0.42 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 66.40 2bcb h THR 34 Cb 0.24 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2bcb h THR 34 CO -0.20 0.18 -0.46 -0.62 0.37 0.00 0.00 175.52 174.80 2bcb n GLU 35 N -4.87 1.72 -1.69 6.66 1.02 -0.12 -4.56 120.64 118.80 2bcb n GLU 35 Ca -0.06 -0.58 -0.05 0.00 -0.02 0.00 0.00 57.16 56.46 2bcb n GLU 35 Cb 0.21 -1.27 0.08 0.00 -0.02 0.00 0.00 31.44 30.44 2bcb n GLU 35 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2bcb n PHE 36 N -0.49 1.13 -0.18 -0.32 3.01 0.11 -4.88 117.46 115.84 2bcb n PHE 36 Ca 0.06 -1.67 0.02 0.00 1.01 0.00 0.00 57.45 56.87 2bcb n PHE 36 Cb 0.31 -0.25 0.29 0.00 -0.01 0.00 0.00 39.48 39.82 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 1.71 0.88 0.43 -1.08 0.13 -1.65 0.38 132.00 132.80 2bcb h PRO 37 Ca 0.04 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 2bcb h PRO 37 Cb 1.40 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2bcb h PRO 37 CO 0.30 0.58 -0.21 0.66 -0.23 0.00 0.00 178.00 179.10 2bcb h SER 38 N 0.90 -0.49 -0.13 1.44 4.64 -1.89 -3.12 113.55 114.90 2bcb h SER 38 Ca 0.27 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2bcb h SER 38 Cb -0.03 0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2bcb h SER 38 CO -0.07 -0.18 0.08 -0.07 -0.87 0.00 0.00 176.83 175.73 2bcb h LEU 39 N -0.83 0.15 -2.25 5.97 3.38 -1.86 -0.49 115.31 119.37 2bcb h LEU 39 Ca -0.06 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2bcb h LEU 39 Cb 0.56 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2bcb h LEU 39 CO 0.10 0.11 -0.05 -0.07 0.09 0.00 0.00 178.44 178.61 2bcb h LEU 40 N 0.17 0.00 0.00 1.67 3.38 -0.86 -0.31 115.31 119.36 2bcb h LEU 40 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2bcb h LEU 40 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2bcb h LEU 40 CO -0.01 0.05 0.00 0.29 0.09 0.00 0.00 178.44 178.86 2bcb n LYS 41 N -3.72 0.01 -0.15 1.13 5.02 -0.19 -3.66 118.16 116.60 2bcb n LYS 41 Ca -0.02 0.28 -0.08 0.00 -2.02 0.00 0.00 58.31 56.46 2bcb n LYS 41 Cb 0.15 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 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 2.17 -0.39 0.00 0.72 0.00 -1.19 -3.48 103.07 100.89 2bcb h GLY 42 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.83 2bcb h GLY 42 CO 0.00 -0.19 0.00 0.61 0.00 0.00 0.00 176.54 176.96 2bcb n GLY 43 N -1.42 -0.20 7.00 4.60 0.00 -1.24 -5.16 105.19 108.76 2bcb n GLY 43 Ca 0.01 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.99 -3.73 1.61 2.88 -1.26 -4.96 113.62 106.17 2bcb n SER 44 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 2bcb n SER 44 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2bcb n SER 44 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2bcb s THR 45 N 0.00 0.07 0.24 2.46 -4.23 -1.26 -5.02 115.64 107.89 2bcb s THR 45 Ca 0.00 -0.80 -0.06 0.00 -1.18 0.00 0.00 61.69 59.65 2bcb s THR 45 Cb 0.00 -1.38 0.21 0.00 1.34 0.00 0.00 72.50 72.67 2bcb s THR 45 CO 0.00 -0.30 1.70 0.25 -0.54 0.00 0.00 174.62 175.73 2bcb h LEU 46 N 2.38 0.05 0.66 4.79 5.85 -1.98 0.10 115.31 127.17 2bcb h LEU 46 Ca -0.32 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 2bcb h LEU 46 Cb 1.25 0.17 0.01 0.00 0.37 0.00 0.00 40.66 42.45 2bcb h LEU 46 CO 0.46 -0.00 -0.32 0.44 -0.34 0.00 0.00 178.44 178.68 2bcb h ASP 47 N 0.30 -0.75 -0.46 1.25 5.19 -1.97 0.14 116.42 120.12 2bcb h ASP 47 Ca 0.39 -0.01 0.06 0.00 -0.62 0.00 0.00 57.03 56.84 2bcb h ASP 47 Cb 0.63 0.19 -0.05 0.00 0.18 0.00 0.00 39.33 40.28 2bcb h ASP 47 CO -0.46 -0.40 0.18 -0.33 -3.12 0.00 0.00 179.24 175.10 2bcb h GLU 48 N -1.11 0.35 0.88 3.56 5.08 -1.90 0.34 114.58 121.78 2bcb h GLU 48 Ca -0.09 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 2bcb h GLU 48 Cb 0.71 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.89 2bcb h GLU 48 CO 0.15 0.23 -0.42 1.25 -1.00 0.00 0.00 179.01 179.21 2bcb h LEU 49 N 0.36 -1.00 -1.37 1.33 5.85 -0.78 0.11 115.31 119.80 2bcb h LEU 49 Ca 0.22 0.03 0.12 0.00 0.84 0.00 0.00 57.88 59.09 2bcb h LEU 49 Cb 0.20 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 2bcb h LEU 49 CO -0.21 -0.71 0.53 0.15 -0.34 0.00 0.00 178.44 177.87 2bcb h PHE 50 N -1.21 0.74 -0.34 1.25 3.57 -0.57 -0.01 116.94 120.38 2bcb h PHE 50 Ca -0.12 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.33 2bcb h PHE 50 Cb 0.91 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 2bcb h PHE 50 CO -0.01 0.32 -0.05 0.93 -2.23 0.00 0.00 178.31 177.27 2bcb h GLU 51 N 0.67 0.63 -0.19 1.11 5.08 0.12 0.50 114.58 122.50 2bcb h GLU 51 Ca 0.39 -0.23 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 2bcb h GLU 51 Cb 0.60 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2bcb h GLU 51 CO -0.16 0.78 -0.02 1.49 -1.00 0.00 0.00 179.01 180.10 2bcb h GLU 52 N 0.42 0.03 -0.19 2.33 4.57 0.33 -2.38 114.58 119.70 2bcb h GLU 52 Ca 0.09 -0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.31 2bcb h GLU 52 Cb 0.53 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.08 2bcb h GLU 52 CO 0.03 0.02 -0.05 -0.07 -1.18 0.00 0.00 179.01 177.76 2bcb h LEU 53 N 0.03 -0.17 -5.11 1.64 3.38 -0.87 -3.17 115.31 111.03 2bcb h LEU 53 Ca 0.09 0.06 -0.65 0.00 0.09 0.00 0.00 57.88 57.47 2bcb h LEU 53 Cb 0.13 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2bcb h LEU 53 CO -0.18 -0.06 3.00 -0.67 0.09 0.00 0.00 178.44 180.62 2bcb n ASP 54 N -5.19 8.23 -0.27 -0.43 -0.08 0.17 -4.65 116.55 114.34 2bcb n ASP 54 Ca -0.03 -2.76 0.08 0.00 -1.51 0.00 0.00 54.79 50.57 2bcb n ASP 54 Cb 0.12 -1.48 0.31 0.00 2.34 0.00 0.00 41.12 42.41 2bcb n ASP 54 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2bcb h LYS 55 N 4.66 0.82 -0.22 -0.67 2.10 -1.57 -3.32 116.57 118.38 2bcb h LYS 55 Ca 0.76 -0.05 -0.25 0.00 -2.00 0.00 0.00 60.65 59.11 2bcb h LYS 55 Cb 0.39 -0.19 -0.19 0.00 -0.90 0.00 0.00 32.23 31.34 2bcb h LYS 55 CO 1.55 0.55 -0.51 -1.71 -2.00 0.00 0.00 179.45 177.32 2bcb n ASN 56 N -4.52 -1.51 -0.07 7.07 5.15 -1.26 -4.97 115.26 115.14 2bcb n ASN 56 Ca 0.15 -2.86 -0.08 0.00 -0.60 0.00 0.00 54.58 51.19 2bcb n ASN 56 Cb 0.31 1.01 -0.04 0.00 -0.53 0.00 0.00 39.78 40.54 2bcb n ASN 56 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2bcb h GLY 57 N 2.43 0.00 -4.93 8.20 0.00 -1.75 -3.49 103.07 103.54 2bcb h GLY 57 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.81 2bcb h GLY 57 CO 0.08 0.00 -0.55 2.09 0.00 0.00 0.00 176.54 178.15 2bcb n ASP 58 N -4.60 -5.60 0.00 0.19 5.68 -1.26 -4.16 116.55 106.80 2bcb n ASP 58 Ca -0.11 -0.44 0.00 0.00 -0.50 0.00 0.00 54.79 53.74 2bcb n ASP 58 Cb 0.32 -4.21 0.00 0.00 -1.14 0.00 0.00 41.12 36.09 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 -1.73 0.30 3.40 6.12 0.00 -1.26 -5.13 105.19 106.88 2bcb n GLY 59 Ca 0.01 0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 1.21 0.77 1.61 2.02 -1.26 -4.50 118.70 118.55 2bcb s GLU 60 Ca 0.00 -0.74 -0.07 0.00 0.02 0.00 0.00 54.97 54.18 2bcb s GLU 60 Cb 0.00 0.50 0.11 0.00 0.10 0.00 0.00 34.13 34.84 2bcb s GLU 60 CO 0.00 -0.50 1.08 0.08 0.02 0.00 0.00 175.26 175.95 2bcb s VAL 61 N -3.82 2.18 0.21 2.63 1.01 0.83 -4.29 120.40 119.15 2bcb s VAL 61 Ca 0.05 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 2bcb s VAL 61 Cb 0.00 -2.89 -0.00 0.00 0.00 0.00 0.00 36.38 33.49 2bcb s VAL 61 CO -0.09 0.00 0.40 -0.94 0.00 0.00 0.00 175.10 174.47 2bcb s SER 62 N -4.66 -0.06 0.53 3.32 1.04 -1.26 -0.18 113.70 112.43 2bcb s SER 62 Ca 0.65 -0.89 0.20 0.00 0.48 0.00 0.00 55.95 56.39 2bcb s SER 62 Cb -0.08 0.53 1.38 0.00 0.10 0.00 0.00 66.02 67.95 2bcb s SER 62 CO 0.47 -1.03 2.12 0.15 0.98 0.00 0.00 173.24 175.92 2bcb h PHE 63 N 2.36 0.00 0.62 5.02 3.57 -1.95 0.17 116.94 126.73 2bcb h PHE 63 Ca -0.29 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.18 2bcb h PHE 63 Cb 1.25 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.99 2bcb h PHE 63 CO 0.39 0.00 -0.30 1.49 -2.23 0.00 0.00 178.31 177.66 2bcb h GLU 64 N 0.00 -0.80 -0.17 1.11 4.81 -1.96 -2.54 114.58 115.03 2bcb h GLU 64 Ca 0.06 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 2bcb h GLU 64 Cb 0.26 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 2bcb h GLU 64 CO -0.00 -0.53 -0.16 1.49 -0.73 0.00 0.00 179.01 179.08 2bcb h GLU 65 N -0.87 -0.17 -0.77 1.92 4.57 -1.88 -1.91 114.58 115.47 2bcb h GLU 65 Ca -0.08 0.01 0.22 0.00 -1.18 0.00 0.00 59.36 58.33 2bcb h GLU 65 Cb 0.63 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.23 2bcb h GLU 65 CO 0.14 -0.11 0.66 0.35 -1.18 0.00 0.00 179.01 178.86 2bcb h PHE 66 N -0.17 0.00 -0.26 0.92 3.57 -0.60 -0.19 116.94 120.20 2bcb h PHE 66 Ca 0.11 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.69 2bcb h PHE 66 Cb 0.34 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2bcb h PHE 66 CO -0.29 0.00 0.29 1.96 -2.23 0.00 0.00 178.31 178.03 2bcb h GLN 67 N 0.00 0.00 -0.22 1.11 1.08 -0.90 0.22 115.11 116.40 2bcb h GLN 67 Ca 0.37 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.60 2bcb h GLN 67 Cb 1.68 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.08 2bcb h GLN 67 CO -0.00 0.00 0.04 0.28 -0.95 0.00 0.00 178.83 178.20 2bcb h VAL 68 N 0.00 0.90 -0.31 -0.54 2.07 -1.21 0.13 116.25 117.28 2bcb h VAL 68 Ca 0.12 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 2bcb h VAL 68 Cb 0.70 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2bcb h VAL 68 CO -0.00 0.02 -0.08 0.25 0.02 0.00 0.00 177.57 177.78 2bcb h LEU 69 N 0.12 0.61 -1.42 2.57 7.12 -0.83 0.11 115.31 123.59 2bcb h LEU 69 Ca 0.10 -0.37 0.15 0.00 0.13 0.00 0.00 57.88 57.89 2bcb h LEU 69 Cb 0.10 -0.17 -0.06 0.00 -0.53 0.00 0.00 40.66 40.00 2bcb h LEU 69 CO -0.13 0.84 0.55 0.58 -0.13 0.00 0.00 178.44 180.14 2bcb h VAL 70 N 0.37 0.81 -0.01 1.05 2.07 -0.76 0.67 116.25 120.46 2bcb h VAL 70 Ca 0.08 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 2bcb h VAL 70 Cb 0.58 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2bcb h VAL 70 CO 0.03 0.10 -0.22 0.50 0.02 0.00 0.00 177.57 178.01 2bcb h LYS 71 N 0.56 0.17 -0.41 1.57 3.64 -0.39 -3.34 116.57 118.37 2bcb h LYS 71 Ca 0.42 -0.17 0.11 0.00 -1.27 0.00 0.00 60.65 59.74 2bcb h LYS 71 Cb 0.80 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 2bcb h LYS 71 CO -0.17 0.88 0.29 -0.22 -2.27 0.00 0.00 179.45 177.96 2bcb h LYS 72 N -0.47 0.03 -0.03 1.90 1.63 0.12 0.67 116.57 120.43 2bcb h LYS 72 Ca -0.02 -0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.78 2bcb h LYS 72 Cb 0.94 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.56 2bcb h LYS 72 CO 0.04 0.02 0.03 -0.84 -3.45 0.00 0.00 179.45 175.25 2bcb h ILE 73 N 0.03 0.53 -0.91 2.00 3.07 -1.09 0.41 117.51 121.55 2bcb h ILE 73 Ca 0.19 0.00 -0.51 0.00 1.55 0.00 0.00 64.86 66.09 2bcb h ILE 73 Cb 0.74 0.97 -0.28 0.00 -0.27 0.00 0.00 36.82 37.98 2bcb h ILE 73 CO -0.01 0.00 0.57 -1.20 -1.05 0.00 0.00 178.15 176.46 2bcb n SER 74 N -3.85 4.49 0.00 2.16 7.64 0.23 -5.15 113.62 119.14 2bcb n SER 74 Ca -0.02 -3.68 0.00 0.00 1.01 0.00 0.00 58.87 56.18 2bcb n SER 74 Cb 0.12 -0.83 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