#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 -0.42 0.24 4.39 1.04 -1.26 -5.03 113.70 112.66 2bcb s SER 2 Ca 0.00 0.05 -0.08 0.00 0.48 0.00 0.00 55.95 56.41 2bcb s SER 2 Cb 0.00 0.43 0.41 0.00 0.10 0.00 0.00 66.02 66.96 2bcb s SER 2 CO 0.00 -0.68 1.65 1.55 0.98 0.00 0.00 173.24 176.74 2bcb h PRO 3 N 2.07 0.13 -0.15 4.02 0.13 -1.99 0.72 132.00 136.93 2bcb h PRO 3 Ca -0.25 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.92 2bcb h PRO 3 Cb 1.25 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 2bcb h PRO 3 CO 0.33 0.09 -0.11 1.49 -0.23 0.00 0.00 178.00 179.56 2bcb h GLU 4 N 0.13 -0.12 -0.51 0.86 4.81 -1.98 0.30 114.58 118.07 2bcb h GLU 4 Ca 0.39 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.61 2bcb h GLU 4 Cb 0.67 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 2bcb h GLU 4 CO -0.60 -0.08 0.24 0.93 -0.73 0.00 0.00 179.01 178.77 2bcb h GLU 5 N -0.12 0.74 -0.34 1.92 5.08 -1.71 -0.74 114.58 119.40 2bcb h GLU 5 Ca 0.09 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2bcb h GLU 5 Cb 0.26 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2bcb h GLU 5 CO -0.23 0.62 0.14 -0.07 -1.00 0.00 0.00 179.01 178.47 2bcb h LEU 6 N 0.68 0.42 -0.12 1.33 3.38 -0.30 0.11 115.31 120.81 2bcb h LEU 6 Ca 0.17 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2bcb h LEU 6 Cb 0.13 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2bcb h LEU 6 CO -0.02 0.38 0.01 0.50 0.09 0.00 0.00 178.44 179.40 2bcb h LYS 7 N 0.47 0.21 -0.06 1.13 3.64 0.29 0.15 116.57 122.40 2bcb h LYS 7 Ca 0.12 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 2bcb h LYS 7 Cb 0.09 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2bcb h LYS 7 CO -0.01 0.44 -0.13 0.78 -2.27 0.00 0.00 179.45 178.26 2bcb h GLY 8 N -0.05 -0.10 0.61 5.01 0.00 -0.16 0.10 103.07 108.48 2bcb h GLY 8 Ca 0.03 0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.54 2bcb h GLY 8 CO 0.01 -0.13 -0.18 -2.22 0.00 0.00 0.00 176.54 174.01 2bcb h ILE 9 N -0.18 0.57 -0.19 2.60 1.08 -0.76 0.11 117.51 120.74 2bcb h ILE 9 Ca 0.07 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.59 2bcb h ILE 9 Cb 0.27 0.57 -0.07 0.00 -3.07 0.00 0.00 36.82 34.53 2bcb h ILE 9 CO -0.17 0.00 -0.31 0.15 -0.69 0.00 0.00 178.15 177.13 2bcb h PHE 10 N -0.31 -0.86 0.03 1.37 3.04 -0.40 -0.30 116.94 119.52 2bcb h PHE 10 Ca 0.05 0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.04 2bcb h PHE 10 Cb 0.37 0.41 -0.01 0.00 2.56 0.00 0.00 35.95 39.27 2bcb h PHE 10 CO -0.21 -0.38 -0.06 1.49 -2.02 0.00 0.00 178.31 177.12 2bcb h GLU 11 N -0.35 -0.12 -0.32 1.11 4.81 -0.66 0.19 114.58 119.23 2bcb h GLU 11 Ca 0.11 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.42 2bcb h GLU 11 Cb 0.53 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.86 2bcb h GLU 11 CO -0.39 -0.08 -0.33 -0.22 -0.73 0.00 0.00 179.01 177.26 2bcb h LYS 12 N -0.13 -0.28 -0.11 1.92 3.64 -0.30 -0.54 116.57 120.76 2bcb h LYS 12 Ca 0.02 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 2bcb h LYS 12 Cb 0.14 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2bcb h LYS 12 CO -0.04 -0.19 -0.10 1.88 -2.27 0.00 0.00 179.45 178.73 2bcb h TYR 13 N -0.29 0.32 -1.00 1.91 -1.99 -0.88 -3.16 116.97 111.87 2bcb h TYR 13 Ca 0.15 -0.09 0.24 0.00 2.00 0.00 0.00 58.73 61.03 2bcb h TYR 13 Cb 0.54 -0.07 -0.09 0.00 2.00 0.00 0.00 36.73 39.12 2bcb h TYR 13 CO -0.50 0.67 0.65 0.00 -0.00 0.00 0.00 178.16 178.97 2bcb h ALA 14 N 0.60 2.18 0.00 3.88 0.00 -0.17 0.44 119.26 126.19 2bcb h ALA 14 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2bcb h ALA 14 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2bcb h ALA 14 CO 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 179.25 178.73 2bcb h ALA 15 N 1.62 1.00 -1.40 0.00 0.00 -1.07 -3.35 119.26 116.06 2bcb h ALA 15 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.47 2bcb h ALA 15 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2bcb h ALA 15 CO -0.27 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.61 2bcb n LYS 16 N -2.93 0.00 -4.90 0.00 4.01 0.14 -4.87 118.16 109.62 2bcb n LYS 16 Ca -0.02 0.27 -0.30 0.00 -0.51 0.00 0.00 58.31 57.75 2bcb n LYS 16 Cb 0.13 -0.85 -0.17 0.00 -0.51 0.00 0.00 35.03 33.64 2bcb n LYS 16 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2bcb s GLU 17 N -0.78 2.71 0.00 1.97 0.41 -1.26 -5.03 118.70 116.72 2bcb s GLU 17 Ca 0.00 -0.76 0.00 0.00 -0.41 0.00 0.00 54.97 53.80 2bcb s GLU 17 Cb 0.00 -2.13 0.00 0.00 -1.78 0.00 0.00 34.13 30.22 2bcb s GLU 17 CO 0.00 0.08 0.00 0.41 -0.49 0.00 0.00 175.26 175.26 2bcb n GLY 18 N 3.77 -0.87 3.75 -1.39 0.00 -1.26 -3.88 105.19 105.32 2bcb n GLY 18 Ca -0.20 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.27 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 7.19 0.59 1.61 -1.08 -1.26 -4.92 116.67 114.81 2bcb s ASP 19 Ca 0.00 2.25 0.29 0.00 -0.52 0.00 0.00 52.55 54.57 2bcb s ASP 19 Cb 0.00 -2.62 1.49 0.00 -1.46 0.00 0.00 42.92 40.33 2bcb s ASP 19 CO 0.00 -0.24 1.91 1.55 0.52 0.00 0.00 175.17 178.91 2bcb h PRO 20 N 4.42 0.00 0.00 4.34 0.13 -1.90 0.14 132.00 139.13 2bcb h PRO 20 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 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 0.70 0.00 -0.50 -1.71 -0.23 0.00 0.00 178.00 176.26 2bcb n ASN 21 N -3.69 0.51 -4.41 1.44 5.15 -1.26 -3.80 115.26 109.19 2bcb n ASN 21 Ca 0.08 -0.09 -0.32 0.00 -0.60 0.00 0.00 54.58 53.64 2bcb n ASN 21 Cb 0.64 0.17 -0.14 0.00 -0.53 0.00 0.00 39.78 39.91 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 -3.04 2.41 -0.50 1.20 1.11 0.48 -4.13 119.66 117.19 2bcb s GLN 22 Ca 0.10 -0.78 -0.25 0.00 0.01 0.00 0.00 55.36 54.43 2bcb s GLN 22 Cb 0.17 -2.26 0.03 0.00 -1.01 0.00 0.00 33.01 29.93 2bcb s GLN 22 CO 0.69 0.57 0.95 -0.51 0.01 0.00 0.00 175.29 177.00 2bcb s LEU 23 N -0.62 4.00 0.74 2.90 1.43 0.17 -4.26 118.68 123.04 2bcb s LEU 23 Ca 0.09 -0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 2bcb s LEU 23 Cb -0.11 -3.06 0.04 0.00 0.03 0.00 0.00 46.19 43.09 2bcb s LEU 23 CO 0.00 -1.14 1.09 -0.94 0.23 0.00 0.00 176.35 175.59 2bcb s SER 24 N 2.52 4.81 0.22 2.29 1.04 -1.25 0.28 113.70 123.61 2bcb s SER 24 Ca 0.35 1.80 -0.08 0.00 0.48 0.00 0.00 55.95 58.51 2bcb s SER 24 Cb -0.11 -2.52 0.33 0.00 0.10 0.00 0.00 66.02 63.83 2bcb s SER 24 CO 0.24 -1.83 1.75 0.50 0.98 0.00 0.00 173.24 174.88 2bcb h LYS 25 N -0.84 0.46 -0.05 4.02 3.11 -1.90 0.12 116.57 121.49 2bcb h LYS 25 Ca -0.44 -0.03 0.02 0.00 -2.81 0.00 0.00 60.65 57.39 2bcb h LYS 25 Cb 1.23 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 32.34 2bcb h LYS 25 CO 0.53 0.30 -0.06 1.49 -2.81 0.00 0.00 179.45 178.90 2bcb h GLU 26 N 0.47 -0.09 -0.78 1.90 4.22 -1.91 -2.73 114.58 115.67 2bcb h GLU 26 Ca 0.34 0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.84 2bcb h GLU 26 Cb 0.43 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 2bcb h GLU 26 CO -0.32 -0.06 0.48 1.49 -2.18 0.00 0.00 179.01 178.42 2bcb h GLU 27 N -0.09 0.88 -0.99 1.92 4.57 -1.39 -2.45 114.58 117.03 2bcb h GLU 27 Ca 0.04 -0.05 0.14 0.00 -1.18 0.00 0.00 59.36 58.31 2bcb h GLU 27 Cb 0.15 -0.20 -0.09 0.00 -0.16 0.00 0.00 28.75 28.45 2bcb h GLU 27 CO -0.10 0.58 0.61 1.25 -1.18 0.00 0.00 179.01 180.18 2bcb h LEU 28 N 0.91 0.86 -0.05 1.64 5.85 -0.52 -1.65 115.31 122.34 2bcb h LEU 28 Ca 0.33 0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.13 2bcb h LEU 28 Cb 0.10 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2bcb h LEU 28 CO -0.14 0.41 -0.38 0.50 -0.34 0.00 0.00 178.44 178.49 2bcb h LYS 29 N 0.90 -0.42 -0.31 1.25 1.63 -1.32 0.13 116.57 118.44 2bcb h LYS 29 Ca 0.52 0.03 0.01 0.00 -0.85 0.00 0.00 60.65 60.36 2bcb h LYS 29 Cb 0.62 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 2bcb h LYS 29 CO -0.31 -0.28 0.18 1.37 -3.45 0.00 0.00 179.45 176.96 2bcb h LEU 30 N -0.44 0.29 -0.30 5.20 -0.00 -1.60 -2.80 115.31 115.66 2bcb h LEU 30 Ca 0.02 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.95 2bcb h LEU 30 Cb 0.49 -0.06 -0.08 0.00 -0.00 0.00 0.00 40.66 41.02 2bcb h LEU 30 CO -0.28 0.21 -0.52 0.25 -0.00 0.00 0.00 178.44 178.10 2bcb h LEU 31 N 0.37 -1.70 -0.27 0.17 6.46 -0.82 0.10 115.31 119.62 2bcb h LEU 31 Ca 0.12 0.22 0.06 0.00 -0.12 0.00 0.00 57.88 58.16 2bcb h LEU 31 Cb 0.00 0.69 -0.05 0.00 -0.73 0.00 0.00 40.66 40.57 2bcb h LEU 31 CO -0.06 -0.43 -0.08 -0.07 -0.62 0.00 0.00 178.44 177.18 2bcb h LEU 32 N -0.46 -0.28 -0.75 2.25 3.38 -0.96 -0.98 115.31 117.52 2bcb h LEU 32 Ca 0.07 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2bcb h LEU 32 Cb 0.63 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2bcb h LEU 32 CO -0.53 -0.10 0.45 1.56 0.09 0.00 0.00 178.44 179.92 2bcb h GLN 33 N -0.02 1.01 0.25 1.13 4.20 -1.16 0.27 115.11 120.79 2bcb h GLN 33 Ca 0.13 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2bcb h GLN 33 Cb 0.22 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2bcb h GLN 33 CO -0.29 0.71 -0.12 1.15 -0.67 0.00 0.00 178.83 179.61 2bcb h THR 34 N 1.02 0.75 -0.02 -0.54 2.02 -0.13 -3.38 112.91 112.63 2bcb h THR 34 Ca 0.27 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.66 2bcb h THR 34 Cb -0.04 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2bcb h THR 34 CO -0.05 0.15 0.00 -0.62 0.37 0.00 0.00 175.52 175.37 2bcb n GLU 35 N -5.05 0.04 -2.38 6.66 1.02 -0.43 -4.67 120.64 115.82 2bcb n GLU 35 Ca -0.09 -0.84 -0.16 0.00 -0.02 0.00 0.00 57.16 56.05 2bcb n GLU 35 Cb 0.26 -1.05 0.03 0.00 -0.02 0.00 0.00 31.44 30.65 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 0.08 2.26 -0.13 -0.32 3.01 0.93 -4.90 117.46 118.39 2bcb n PHE 36 Ca 0.02 -2.37 0.00 0.00 1.01 0.00 0.00 57.45 56.11 2bcb n PHE 36 Cb 0.11 -0.27 0.27 0.00 -0.01 0.00 0.00 39.48 39.57 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 2.43 0.82 0.00 -1.08 0.13 -1.70 0.22 132.00 132.83 2bcb h PRO 37 Ca 0.17 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 65.17 2bcb h PRO 37 Cb 1.34 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2bcb h PRO 37 CO 0.58 0.62 -0.18 1.03 -0.23 0.00 0.00 178.00 179.81 2bcb h SER 38 N 0.82 0.00 -0.83 1.44 0.87 -1.90 -3.35 113.55 110.59 2bcb h SER 38 Ca 0.21 -0.82 0.13 0.00 -1.23 0.00 0.00 61.79 60.07 2bcb h SER 38 Cb 0.06 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.96 2bcb h SER 38 CO -0.03 1.02 0.54 -0.07 -0.53 0.00 0.00 176.83 177.76 2bcb h LEU 39 N -1.00 0.61 -1.29 2.23 4.07 -1.91 -0.01 115.31 118.00 2bcb h LEU 39 Ca -0.05 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2bcb h LEU 39 Cb 0.94 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.59 2bcb h LEU 39 CO -0.03 0.33 0.00 0.17 -1.08 0.00 0.00 178.44 177.83 2bcb h LEU 40 N 0.65 0.00 0.00 1.67 8.10 -1.08 -1.71 115.31 122.94 2bcb h LEU 40 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.40 2bcb h LEU 40 Cb 0.65 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.87 2bcb h LEU 40 CO -0.17 0.00 0.00 0.29 -4.11 0.00 0.00 178.44 174.45 2bcb n LYS 41 N -2.38 0.09 -0.32 0.17 4.76 -0.02 -3.85 118.16 116.61 2bcb n LYS 41 Ca -0.00 0.21 0.15 0.00 -2.87 0.00 0.00 58.31 55.79 2bcb n LYS 41 Cb 0.13 -1.50 0.29 0.00 -1.84 0.00 0.00 35.03 32.11 2bcb n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bcb n GLY 42 N -0.04 -1.25 0.00 0.72 0.00 -0.64 -4.82 105.19 99.15 2bcb n GLY 42 Ca 0.05 0.91 0.00 0.00 0.00 0.00 0.00 46.02 46.98 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 -1.46 0.60 3.59 -0.02 0.00 -1.25 -5.17 105.19 101.48 2bcb n GLY 43 Ca 0.23 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 2bcb n GLY 43 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bcb s SER 44 N -0.03 -0.55 0.61 1.61 0.15 -1.26 -5.08 113.70 109.14 2bcb s SER 44 Ca 0.00 0.86 -0.08 0.00 0.70 0.00 0.00 55.95 57.43 2bcb s SER 44 Cb 0.00 0.80 -0.01 0.00 -1.71 0.00 0.00 66.02 65.10 2bcb s SER 44 CO 0.00 -0.33 0.96 0.42 1.20 0.00 0.00 173.24 175.49 2bcb s THR 45 N -0.38 4.04 0.21 6.45 -4.23 -1.26 -4.80 115.64 115.67 2bcb s THR 45 Ca -0.02 0.34 -0.13 0.00 -1.18 0.00 0.00 61.69 60.70 2bcb s THR 45 Cb -0.03 -3.62 0.24 0.00 1.34 0.00 0.00 72.50 70.43 2bcb s THR 45 CO 0.01 -0.71 1.63 0.25 -0.54 0.00 0.00 174.62 175.25 2bcb h LEU 46 N -0.26 -0.58 0.77 4.79 7.12 -1.99 0.11 115.31 125.27 2bcb h LEU 46 Ca -0.45 0.19 -0.04 0.00 0.13 0.00 0.00 57.88 57.71 2bcb h LEU 46 Cb 1.23 0.39 0.01 0.00 -0.53 0.00 0.00 40.66 41.76 2bcb h LEU 46 CO 0.62 -0.21 -0.37 0.44 -0.13 0.00 0.00 178.44 178.79 2bcb h ASP 47 N 0.00 -0.88 -0.17 1.25 5.19 -1.97 0.18 116.42 120.02 2bcb h ASP 47 Ca 0.31 0.02 0.03 0.00 -0.62 0.00 0.00 57.03 56.77 2bcb h ASP 47 Cb 0.47 0.23 -0.03 0.00 0.18 0.00 0.00 39.33 40.18 2bcb h ASP 47 CO -0.65 -0.61 0.01 -0.33 -3.12 0.00 0.00 179.24 174.53 2bcb h GLU 48 N -1.06 0.06 0.54 3.56 4.39 -1.83 0.38 114.58 120.63 2bcb h GLU 48 Ca -0.11 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 2bcb h GLU 48 Cb 0.80 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 2bcb h GLU 48 CO 0.17 0.04 -0.36 1.25 -1.16 0.00 0.00 179.01 178.96 2bcb h LEU 49 N 0.07 -0.92 -1.18 1.33 5.85 -0.76 0.11 115.31 119.80 2bcb h LEU 49 Ca 0.08 0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.98 2bcb h LEU 49 Cb 0.09 0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 2bcb h LEU 49 CO -0.13 -0.55 0.59 0.15 -0.34 0.00 0.00 178.44 178.15 2bcb h PHE 50 N -0.87 0.96 -0.43 1.25 3.57 -0.49 0.03 116.94 120.96 2bcb h PHE 50 Ca -0.06 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 2bcb h PHE 50 Cb 0.72 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2bcb h PHE 50 CO -0.12 0.40 -0.08 1.49 -2.23 0.00 0.00 178.31 177.77 2bcb h GLU 51 N 0.85 0.82 -0.25 1.11 4.81 0.53 0.42 114.58 122.87 2bcb h GLU 51 Ca 0.45 -0.30 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 2bcb h GLU 51 Cb 0.53 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 2bcb h GLU 51 CO -0.21 0.92 0.08 1.49 -0.73 0.00 0.00 179.01 180.57 2bcb h GLU 52 N 0.65 0.19 -0.02 1.92 4.81 0.21 -2.69 114.58 119.65 2bcb h GLU 52 Ca 0.11 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 2bcb h GLU 52 Cb 0.60 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 2bcb h GLU 52 CO 0.04 0.13 -0.16 -0.07 -0.73 0.00 0.00 179.01 178.21 2bcb h LEU 53 N 0.20 -0.48 -5.22 1.64 3.38 -0.74 -3.18 115.31 110.91 2bcb h LEU 53 Ca 0.11 0.07 -0.69 0.00 0.09 0.00 0.00 57.88 57.46 2bcb h LEU 53 Cb 0.08 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2bcb h LEU 53 CO -0.12 -0.22 3.47 -0.67 0.09 0.00 0.00 178.44 180.99 2bcb n ASP 54 N -5.30 8.29 -0.33 -0.43 2.03 0.15 -4.72 116.55 116.24 2bcb n ASP 54 Ca -0.05 -2.72 0.05 0.00 0.52 0.00 0.00 54.79 52.59 2bcb n ASP 54 Cb 0.21 -1.52 0.12 0.00 -0.72 0.00 0.00 41.12 39.22 2bcb n ASP 54 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2bcb n LYS 55 N 3.31 -0.09 0.00 -0.67 4.76 -1.20 -0.44 118.16 123.82 2bcb n LYS 55 Ca 0.73 1.43 0.13 0.00 -2.87 0.00 0.00 58.31 57.73 2bcb n LYS 55 Cb 0.24 -2.14 0.43 0.00 -1.84 0.00 0.00 35.03 31.73 2bcb n LYS 55 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2bcb n ASN 56 N -5.49 0.83 -2.60 4.39 6.94 -1.26 -4.98 115.26 113.09 2bcb n ASN 56 Ca 0.14 -0.73 -0.08 0.00 -0.02 0.00 0.00 54.58 53.90 2bcb n ASN 56 Cb 0.45 0.08 0.04 0.00 -2.36 0.00 0.00 39.78 37.99 2bcb n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2bcb n GLY 57 N 1.34 -0.52 0.04 4.83 0.00 0.41 -4.96 105.19 106.34 2bcb n GLY 57 Ca 0.12 0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.38 0.63 0.00 1.61 5.68 -1.26 -4.96 116.55 115.87 2bcb n ASP 58 Ca -0.04 -0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.10 2bcb n ASP 58 Cb 0.56 0.65 0.00 0.00 -1.14 0.00 0.00 41.12 41.20 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 1.37 1.84 0.00 6.12 0.00 -1.26 -5.00 105.19 108.25 2bcb n GLY 59 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2bcb n GLY 59 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bcb n GLU 60 N 0.00 2.09 -4.31 1.61 1.02 -1.26 -3.72 120.64 116.06 2bcb n GLU 60 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 2bcb n GLU 60 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 2bcb n GLU 60 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2bcb s VAL 61 N -0.14 0.50 0.19 2.62 1.01 0.14 -4.67 120.40 120.05 2bcb s VAL 61 Ca 0.00 -2.00 -0.05 0.00 0.00 0.00 0.00 61.98 59.93 2bcb s VAL 61 Cb 0.00 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 2bcb s VAL 61 CO 0.00 0.00 0.21 -0.94 0.00 0.00 0.00 175.10 174.37 2bcb s SER 62 N -3.31 0.11 0.53 3.32 1.04 -1.26 0.45 113.70 114.58 2bcb s SER 62 Ca 0.38 -1.17 0.20 0.00 0.48 0.00 0.00 55.95 55.84 2bcb s SER 62 Cb 0.07 0.41 1.37 0.00 0.10 0.00 0.00 66.02 67.98 2bcb s SER 62 CO 0.14 -0.89 2.12 0.15 0.98 0.00 0.00 173.24 175.74 2bcb h PHE 63 N 2.58 0.00 0.61 5.02 3.57 -1.97 0.14 116.94 126.90 2bcb h PHE 63 Ca -0.33 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.14 2bcb h PHE 63 Cb 1.24 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.98 2bcb h PHE 63 CO 0.38 0.00 -0.29 1.49 -2.23 0.00 0.00 178.31 177.66 2bcb h GLU 64 N 0.00 -0.79 -0.22 1.11 4.81 -1.95 -2.46 114.58 115.08 2bcb h GLU 64 Ca 0.07 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 2bcb h GLU 64 Cb 0.28 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.78 2bcb h GLU 64 CO -0.00 -0.53 -0.14 1.49 -0.73 0.00 0.00 179.01 179.10 2bcb h GLU 65 N -0.89 -0.12 -0.95 1.92 4.57 -1.89 -1.70 114.58 115.51 2bcb h GLU 65 Ca -0.08 0.01 0.28 0.00 -1.18 0.00 0.00 59.36 58.38 2bcb h GLU 65 Cb 0.63 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.21 2bcb h GLU 65 CO 0.14 -0.08 0.70 0.35 -1.18 0.00 0.00 179.01 178.93 2bcb h PHE 66 N -0.13 0.00 -0.21 0.92 3.57 -0.64 0.09 116.94 120.55 2bcb h PHE 66 Ca 0.12 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.68 2bcb h PHE 66 Cb 0.31 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 2bcb h PHE 66 CO -0.30 0.00 0.22 1.96 -2.23 0.00 0.00 178.31 177.96 2bcb h GLN 67 N 0.00 0.00 -0.70 1.11 1.08 -0.81 0.32 115.11 116.11 2bcb h GLN 67 Ca 0.45 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.67 2bcb h GLN 67 Cb 1.84 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 29.23 2bcb h GLN 67 CO -0.00 0.00 0.46 0.28 -0.95 0.00 0.00 178.83 178.61 2bcb h VAL 68 N 0.00 1.14 -0.18 -0.54 2.07 -1.14 0.20 116.25 117.80 2bcb h VAL 68 Ca 0.10 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 2bcb h VAL 68 Cb 0.54 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2bcb h VAL 68 CO -0.00 0.17 -0.29 0.25 0.02 0.00 0.00 177.57 177.72 2bcb h LEU 69 N 0.91 0.56 -1.65 2.57 7.12 -0.61 0.43 115.31 124.65 2bcb h LEU 69 Ca 0.27 -0.53 0.14 0.00 0.13 0.00 0.00 57.88 57.89 2bcb h LEU 69 Cb -0.05 -0.16 -0.04 0.00 -0.53 0.00 0.00 40.66 39.87 2bcb h LEU 69 CO -0.08 0.98 0.47 0.58 -0.13 0.00 0.00 178.44 180.27 2bcb h VAL 70 N 0.16 0.80 0.00 1.05 2.07 -0.69 0.27 116.25 119.91 2bcb h VAL 70 Ca 0.01 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2bcb h VAL 70 Cb 0.87 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2bcb h VAL 70 CO 0.07 0.06 -0.00 0.50 0.02 0.00 0.00 177.57 178.22 2bcb h LYS 71 N 0.35 -0.00 -0.02 1.57 1.63 -0.35 -3.34 116.57 116.42 2bcb h LYS 71 Ca 0.34 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.14 2bcb h LYS 71 Cb 0.82 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.45 2bcb h LYS 71 CO -0.09 0.74 0.02 0.87 -3.45 0.00 0.00 179.45 177.54 2bcb h LYS 72 N -0.74 0.00 0.00 1.90 1.79 0.76 0.69 116.57 120.97 2bcb h LYS 72 Ca -0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2bcb h LYS 72 Cb 0.74 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.39 2bcb h LYS 72 CO 0.00 0.00 -0.00 -0.84 -1.08 0.00 0.00 179.45 177.53 2bcb h ILE 73 N 0.00 0.77 -0.41 1.86 3.07 -1.14 0.22 117.51 121.88 2bcb h ILE 73 Ca 0.01 -0.00 -0.23 0.00 1.55 0.00 0.00 64.86 66.19 2bcb h ILE 73 Cb 0.05 1.00 -0.14 0.00 -0.27 0.00 0.00 36.82 37.47 2bcb h ILE 73 CO -0.00 0.00 -0.09 -1.20 -1.05 0.00 0.00 178.15 175.81 2bcb n SER 74 N -4.20 2.80 0.00 2.16 7.64 0.20 -5.15 113.62 117.07 2bcb n SER 74 Ca -0.03 -3.80 0.00 0.00 1.01 0.00 0.00 58.87 56.05 2bcb n SER 74 Cb 0.09 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 2bcb n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03