#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 -0.33 0.22 4.39 1.04 -1.26 -5.03 113.70 112.72 2bcb s SER 2 Ca 0.00 -0.16 -0.19 0.00 0.48 0.00 0.00 55.95 56.08 2bcb s SER 2 Cb 0.00 0.47 0.19 0.00 0.10 0.00 0.00 66.02 66.79 2bcb s SER 2 CO 0.00 -0.81 1.55 -0.65 0.98 0.00 0.00 173.24 174.32 2bcb h PRO 3 N 2.00 -0.02 -0.68 4.02 0.11 -1.98 0.14 132.00 135.59 2bcb h PRO 3 Ca -0.24 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.90 2bcb h PRO 3 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 2bcb h PRO 3 CO 0.30 -0.01 0.42 1.49 -0.21 0.00 0.00 178.00 179.99 2bcb h GLU 4 N -0.02 0.80 -0.61 1.05 4.57 -1.98 0.26 114.58 118.65 2bcb h GLU 4 Ca 0.31 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.36 2bcb h GLU 4 Cb 0.57 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 2bcb h GLU 4 CO -0.95 0.53 0.03 0.93 -1.18 0.00 0.00 179.01 178.37 2bcb h GLU 5 N 0.82 1.05 -0.19 1.92 5.08 -1.53 -0.40 114.58 121.33 2bcb h GLU 5 Ca 0.28 -0.32 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 2bcb h GLU 5 Cb 0.03 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2bcb h GLU 5 CO -0.11 1.02 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.56 2bcb h LEU 6 N 0.95 0.37 0.06 1.33 3.38 -0.01 0.12 115.31 121.51 2bcb h LEU 6 Ca 0.18 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2bcb h LEU 6 Cb 0.52 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2bcb h LEU 6 CO 0.03 0.65 -0.03 0.50 0.09 0.00 0.00 178.44 179.68 2bcb h LYS 7 N 0.33 -0.08 -0.12 1.13 1.63 -0.14 0.20 116.57 119.52 2bcb h LYS 7 Ca 0.05 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.89 2bcb h LYS 7 Cb 0.67 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.28 2bcb h LYS 7 CO 0.05 0.20 -0.09 0.78 -3.45 0.00 0.00 179.45 176.94 2bcb h GLY 8 N -0.34 0.02 0.72 5.01 0.00 -0.64 -0.02 103.07 107.81 2bcb h GLY 8 Ca -0.01 0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.44 2bcb h GLY 8 CO 0.01 -0.10 -0.16 -2.22 0.00 0.00 0.00 176.54 174.07 2bcb h ILE 9 N -0.09 0.64 -0.25 2.60 1.08 -0.76 0.15 117.51 120.88 2bcb h ILE 9 Ca 0.08 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.61 2bcb h ILE 9 Cb 0.21 0.64 -0.07 0.00 -3.07 0.00 0.00 36.82 34.52 2bcb h ILE 9 CO -0.18 0.00 -0.25 0.15 -0.69 0.00 0.00 178.15 177.18 2bcb h PHE 10 N -0.30 -0.65 -0.25 1.37 3.04 -0.26 0.43 116.94 120.31 2bcb h PHE 10 Ca 0.03 0.04 0.03 0.00 3.98 0.00 0.00 57.97 62.04 2bcb h PHE 10 Cb 0.33 0.33 -0.03 0.00 2.56 0.00 0.00 35.95 39.13 2bcb h PHE 10 CO -0.17 -0.32 0.08 1.49 -2.02 0.00 0.00 178.31 177.37 2bcb h GLU 11 N -0.25 0.19 -0.11 1.11 4.81 -0.69 0.17 114.58 119.81 2bcb h GLU 11 Ca 0.14 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.40 2bcb h GLU 11 Cb 0.46 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.75 2bcb h GLU 11 CO -0.39 0.12 -0.25 -0.22 -0.73 0.00 0.00 179.01 177.54 2bcb h LYS 12 N 0.19 -0.31 -0.08 1.92 3.64 0.20 0.20 116.57 122.33 2bcb h LYS 12 Ca 0.11 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 2bcb h LYS 12 Cb 0.08 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2bcb h LYS 12 CO -0.12 -0.21 -0.02 1.88 -2.27 0.00 0.00 179.45 178.71 2bcb h TYR 13 N -0.33 0.18 -0.83 1.91 -1.99 -0.71 -2.96 116.97 112.25 2bcb h TYR 13 Ca 0.09 -0.04 0.17 0.00 2.00 0.00 0.00 58.73 60.95 2bcb h TYR 13 Cb 0.47 -0.04 -0.06 0.00 2.00 0.00 0.00 36.73 39.09 2bcb h TYR 13 CO -0.34 0.49 0.55 0.00 -0.00 0.00 0.00 178.16 178.86 2bcb h ALA 14 N 0.67 2.10 0.00 3.88 0.00 -0.38 -0.44 119.26 125.09 2bcb h ALA 14 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2bcb h ALA 14 Cb 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2bcb h ALA 14 CO 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 178.92 2bcb h ALA 15 N 1.62 1.00 0.32 0.00 0.00 -0.42 -3.17 119.26 118.61 2bcb h ALA 15 Ca 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 2bcb h ALA 15 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2bcb h ALA 15 CO -0.16 0.00 -0.15 -0.22 0.00 0.00 0.00 179.25 178.72 2bcb h LYS 16 N 0.00 -0.41 -2.14 0.00 1.63 -1.10 -3.46 116.57 111.09 2bcb h LYS 16 Ca 0.00 0.03 0.15 0.00 -0.85 0.00 0.00 60.65 59.98 2bcb h LYS 16 Cb 0.27 0.09 -0.15 0.00 -0.60 0.00 0.00 32.23 31.85 2bcb h LYS 16 CO 0.00 -0.23 0.55 -1.83 -3.45 0.00 0.00 179.45 174.49 2bcb s GLU 17 N -5.83 0.78 0.00 1.90 4.04 -1.20 -5.01 118.70 113.39 2bcb s GLU 17 Ca -0.15 -0.32 0.00 0.00 0.04 0.00 0.00 54.97 54.54 2bcb s GLU 17 Cb 0.04 0.34 0.00 0.00 0.02 0.00 0.00 34.13 34.53 2bcb s GLU 17 CO 0.63 -0.35 0.00 0.41 -1.84 0.00 0.00 175.26 174.11 2bcb n GLY 18 N -0.26 0.46 0.47 -3.83 0.00 -1.26 -4.57 105.19 96.19 2bcb n GLY 18 Ca -0.07 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 1.89 -3.86 0.25 1.61 -0.08 -1.26 -4.18 116.55 110.92 2bcb n ASP 19 Ca 0.00 0.33 0.14 0.00 -1.51 0.00 0.00 54.79 53.75 2bcb n ASP 19 Cb 0.47 -0.52 0.74 0.00 2.34 0.00 0.00 41.12 44.15 2bcb n ASP 19 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2bcb h PRO 20 N 0.76 0.00 0.00 -0.67 0.13 -1.89 0.37 132.00 130.70 2bcb h PRO 20 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2bcb h PRO 20 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2bcb h PRO 20 CO 0.00 0.00 -0.68 -0.97 -0.23 0.00 0.00 178.00 176.12 2bcb h ASN 21 N 0.00 0.00 -4.14 1.44 -1.24 -1.86 -3.40 115.58 106.38 2bcb h ASN 21 Ca 0.00 -0.22 -0.63 0.00 0.71 0.00 0.00 56.30 56.16 2bcb h ASN 21 Cb 0.30 0.00 -0.24 0.00 0.73 0.00 0.00 38.32 39.11 2bcb h ASN 21 CO 0.00 0.11 -0.85 -1.10 -1.29 0.00 0.00 177.43 174.30 2bcb s GLN 22 N -3.18 1.38 -0.42 6.67 1.11 0.12 -3.89 119.66 121.45 2bcb s GLN 22 Ca 0.06 -1.16 -0.10 0.00 0.01 0.00 0.00 55.36 54.17 2bcb s GLN 22 Cb 0.13 -1.67 0.07 0.00 -1.01 0.00 0.00 33.01 30.54 2bcb s GLN 22 CO 0.73 0.41 0.27 -0.51 0.01 0.00 0.00 175.29 176.19 2bcb s LEU 23 N -1.68 5.16 0.99 2.90 1.43 0.60 -4.39 118.68 123.69 2bcb s LEU 23 Ca 0.10 -1.46 -0.11 0.00 -1.03 0.00 0.00 54.13 51.62 2bcb s LEU 23 Cb -0.10 -2.00 0.18 0.00 0.03 0.00 0.00 46.19 44.30 2bcb s LEU 23 CO 0.04 -0.54 1.10 -0.94 0.23 0.00 0.00 176.35 176.24 2bcb s SER 24 N 2.12 2.44 0.16 2.29 1.04 -1.26 -0.08 113.70 120.41 2bcb s SER 24 Ca 0.03 1.84 -0.18 0.00 0.48 0.00 0.00 55.95 58.12 2bcb s SER 24 Cb -0.23 -2.42 0.09 0.00 0.10 0.00 0.00 66.02 63.56 2bcb s SER 24 CO 0.03 -3.34 1.67 0.50 0.98 0.00 0.00 173.24 173.07 2bcb h LYS 25 N -2.04 -0.02 -0.44 4.02 3.64 -1.93 0.25 116.57 120.06 2bcb h LYS 25 Ca -0.50 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.89 2bcb h LYS 25 Cb 1.29 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 2bcb h LYS 25 CO 0.47 -0.01 0.28 0.93 -2.27 0.00 0.00 179.45 178.85 2bcb h GLU 26 N -0.02 0.56 -0.64 1.90 3.07 -1.90 -1.64 114.58 115.91 2bcb h GLU 26 Ca 0.18 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 2bcb h GLU 26 Cb 0.30 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.06 2bcb h GLU 26 CO -0.40 0.37 0.41 1.49 -1.40 0.00 0.00 179.01 179.47 2bcb h GLU 27 N 0.57 0.85 -0.81 2.33 4.57 -1.57 -1.81 114.58 118.70 2bcb h GLU 27 Ca 0.16 -0.06 0.07 0.00 -1.18 0.00 0.00 59.36 58.35 2bcb h GLU 27 Cb -0.05 -0.19 -0.06 0.00 -0.16 0.00 0.00 28.75 28.30 2bcb h GLU 27 CO -0.05 0.58 0.49 1.25 -1.18 0.00 0.00 179.01 180.10 2bcb h LEU 28 N 0.86 0.75 0.08 1.64 5.85 -0.16 -1.19 115.31 123.14 2bcb h LEU 28 Ca 0.23 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2bcb h LEU 28 Cb -0.07 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 2bcb h LEU 28 CO -0.05 0.47 -0.24 0.50 -0.34 0.00 0.00 178.44 178.79 2bcb h LYS 29 N 0.88 -0.34 -0.75 1.25 1.63 -0.42 0.32 116.57 119.14 2bcb h LYS 29 Ca 0.36 0.02 0.16 0.00 -0.85 0.00 0.00 60.65 60.34 2bcb h LYS 29 Cb 0.20 0.08 -0.11 0.00 -0.60 0.00 0.00 32.23 31.80 2bcb h LYS 29 CO -0.18 -0.23 0.21 1.37 -3.45 0.00 0.00 179.45 177.17 2bcb h LEU 30 N -0.36 0.08 0.21 5.20 -0.00 -1.35 0.11 115.31 119.20 2bcb h LEU 30 Ca -0.01 0.14 0.00 0.00 -0.00 0.00 0.00 57.88 58.02 2bcb h LEU 30 Cb 0.35 0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 41.15 2bcb h LEU 30 CO -0.12 -0.01 -0.44 0.25 -0.00 0.00 0.00 178.44 178.12 2bcb h LEU 31 N 0.31 -1.29 -0.76 0.17 6.46 -0.64 0.16 115.31 119.72 2bcb h LEU 31 Ca 0.42 0.13 0.03 0.00 -0.12 0.00 0.00 57.88 58.34 2bcb h LEU 31 Cb 0.72 0.46 -0.04 0.00 -0.73 0.00 0.00 40.66 41.07 2bcb h LEU 31 CO -0.49 -0.51 0.48 -0.07 -0.62 0.00 0.00 178.44 177.24 2bcb h LEU 32 N -0.71 0.81 -1.00 2.25 3.38 -0.45 -0.05 115.31 119.54 2bcb h LEU 32 Ca -0.02 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.00 2bcb h LEU 32 Cb 0.68 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 2bcb h LEU 32 CO -0.18 0.56 0.65 1.56 0.09 0.00 0.00 178.44 181.12 2bcb h GLN 33 N 0.96 1.14 -0.01 1.13 4.20 -0.46 0.27 115.11 122.34 2bcb h GLN 33 Ca 0.30 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.87 2bcb h GLN 33 Cb -0.02 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.51 2bcb h GLN 33 CO -0.10 0.76 -0.24 1.15 -0.67 0.00 0.00 178.83 179.72 2bcb h THR 34 N 1.18 1.53 0.12 -0.54 2.02 -0.11 -3.34 112.91 113.77 2bcb h THR 34 Ca 0.43 -1.90 -0.23 0.00 0.77 0.00 0.00 66.41 65.47 2bcb h THR 34 Cb 0.15 2.71 0.01 0.00 -1.74 0.00 0.00 68.15 69.28 2bcb h THR 34 CO -0.17 0.52 -1.14 -0.33 0.37 0.00 0.00 175.52 174.77 2bcb h GLU 35 N -0.47 0.26 -1.29 6.66 4.39 -0.81 -3.44 114.58 119.88 2bcb h GLU 35 Ca -0.03 -0.45 -0.33 0.00 0.34 0.00 0.00 59.36 58.90 2bcb h GLU 35 Cb 0.99 0.17 -0.24 0.00 -0.10 0.00 0.00 28.75 29.56 2bcb h GLU 35 CO 0.05 1.21 -0.69 1.97 -1.16 0.00 0.00 179.01 180.39 2bcb n PHE 36 N -4.03 -2.59 0.01 4.33 -1.74 0.92 -5.00 117.46 109.36 2bcb n PHE 36 Ca -0.20 -2.20 0.00 0.00 -0.56 0.00 0.00 57.45 54.49 2bcb n PHE 36 Cb 0.86 0.97 0.01 0.00 1.52 0.00 0.00 39.48 42.84 2bcb n PHE 36 CO 0.00 0.00 0.00 -0.35 -0.56 0.00 0.00 176.76 175.85 2bcb n PRO 37 N 2.50 0.00 -0.05 3.97 -0.04 -0.91 -2.74 135.00 137.73 2bcb n PRO 37 Ca 0.20 0.41 -0.01 0.00 -0.04 0.00 0.00 63.50 64.06 2bcb n PRO 37 Cb 0.55 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.50 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 0.00 -0.95 3.54 4.64 -1.94 -3.38 113.55 115.47 2bcb h SER 38 Ca 0.00 -0.04 0.27 0.00 -0.47 0.00 0.00 61.79 61.55 2bcb h SER 38 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 2bcb h SER 38 CO 0.00 0.55 0.68 -0.07 -0.87 0.00 0.00 176.83 177.12 2bcb h LEU 39 N -1.00 0.04 -2.12 5.97 3.38 -1.89 0.31 115.31 120.00 2bcb h LEU 39 Ca -0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2bcb h LEU 39 Cb 0.09 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2bcb h LEU 39 CO -0.00 0.01 -0.04 0.17 0.09 0.00 0.00 178.44 178.67 2bcb h LEU 40 N 0.04 0.00 0.00 1.67 8.10 -1.73 -3.01 115.31 120.38 2bcb h LEU 40 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.45 2bcb h LEU 40 Cb 1.76 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.98 2bcb h LEU 40 CO -0.03 0.04 -0.01 0.11 -4.11 0.00 0.00 178.44 174.45 2bcb h LYS 41 N 0.00 0.00 0.00 0.17 6.56 -1.14 -3.40 116.57 118.76 2bcb h LYS 41 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2bcb h LYS 41 Cb 0.28 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.94 2bcb h LYS 41 CO 0.01 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.81 2bcb n GLY 42 N 1.93 -0.28 0.00 3.86 0.00 -1.14 -3.84 105.19 105.72 2bcb n GLY 42 Ca -0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -1.22 3.67 -0.02 0.00 -1.26 -5.10 105.19 101.25 2bcb n GLY 43 Ca 0.00 0.44 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 6.55 1.01 1.61 0.01 -1.25 -4.98 113.70 116.65 2bcb s SER 44 Ca 0.00 2.50 -0.12 0.00 1.31 0.00 0.00 55.95 59.64 2bcb s SER 44 Cb 0.00 -2.54 0.20 0.00 0.21 0.00 0.00 66.02 63.89 2bcb s SER 44 CO 0.00 -0.98 1.08 0.42 0.41 0.00 0.00 173.24 174.18 2bcb s THR 45 N 3.82 2.24 0.26 1.44 -4.23 -1.26 -4.50 115.64 113.41 2bcb s THR 45 Ca 0.80 0.08 -0.05 0.00 -1.18 0.00 0.00 61.69 61.33 2bcb s THR 45 Cb -0.39 -2.26 0.33 0.00 1.34 0.00 0.00 72.50 71.51 2bcb s THR 45 CO 0.35 -0.10 1.61 0.25 -0.54 0.00 0.00 174.62 176.19 2bcb h LEU 46 N -2.07 -0.46 0.57 4.79 5.85 -1.90 0.14 115.31 122.24 2bcb h LEU 46 Ca -0.53 0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 2bcb h LEU 46 Cb 1.30 0.42 0.01 0.00 0.37 0.00 0.00 40.66 42.75 2bcb h LEU 46 CO 0.49 -0.24 -0.28 -0.78 -0.34 0.00 0.00 178.44 177.30 2bcb h ASP 47 N 0.06 -0.65 -0.47 1.25 3.58 -1.97 0.14 116.42 118.36 2bcb h ASP 47 Ca 0.46 -0.03 0.08 0.00 0.42 0.00 0.00 57.03 57.96 2bcb h ASP 47 Cb 0.84 0.17 -0.07 0.00 1.72 0.00 0.00 39.33 41.99 2bcb h ASP 47 CO -0.77 -0.37 0.08 -0.33 -2.88 0.00 0.00 179.24 174.97 2bcb h GLU 48 N -0.91 0.21 1.01 0.28 5.08 -1.61 0.41 114.58 119.04 2bcb h GLU 48 Ca -0.08 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 2bcb h GLU 48 Cb 0.64 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.85 2bcb h GLU 48 CO 0.13 0.14 -0.48 1.25 -1.00 0.00 0.00 179.01 179.04 2bcb h LEU 49 N 0.21 -1.14 -1.59 1.33 5.85 -0.68 0.14 115.31 119.43 2bcb h LEU 49 Ca 0.23 0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.05 2bcb h LEU 49 Cb 0.31 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 2bcb h LEU 49 CO -0.31 -0.81 0.37 0.15 -0.34 0.00 0.00 178.44 177.49 2bcb h PHE 50 N -1.36 0.51 -0.28 1.25 3.57 -0.56 -0.06 116.94 120.00 2bcb h PHE 50 Ca -0.14 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.27 2bcb h PHE 50 Cb 1.04 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 2bcb h PHE 50 CO -0.00 0.27 -0.24 0.93 -2.23 0.00 0.00 178.31 177.04 2bcb h GLU 51 N 0.50 0.65 -0.65 1.11 5.08 0.14 0.44 114.58 121.85 2bcb h GLU 51 Ca 0.24 -0.33 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2bcb h GLU 51 Cb 0.30 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 2bcb h GLU 51 CO -0.07 0.93 0.37 1.49 -1.00 0.00 0.00 179.01 180.73 2bcb h GLU 52 N 0.38 0.66 -0.09 2.33 4.81 0.23 -2.77 114.58 120.13 2bcb h GLU 52 Ca 0.05 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2bcb h GLU 52 Cb 0.79 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 2bcb h GLU 52 CO 0.06 0.44 0.01 -0.07 -0.73 0.00 0.00 179.01 178.71 2bcb h LEU 53 N 0.68 0.15 -5.81 1.64 3.38 -0.84 -3.33 115.31 111.18 2bcb h LEU 53 Ca 0.29 -0.29 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 2bcb h LEU 53 Cb 0.17 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2bcb h LEU 53 CO -0.17 0.40 3.28 -0.67 0.09 0.00 0.00 178.44 181.37 2bcb n ASP 54 N -4.84 4.79 -0.02 -0.43 -0.08 0.15 -4.71 116.55 111.41 2bcb n ASP 54 Ca -0.06 -2.79 0.12 0.00 -1.51 0.00 0.00 54.79 50.55 2bcb n ASP 54 Cb 0.18 -1.64 0.54 0.00 2.34 0.00 0.00 41.12 42.54 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 5.81 0.30 0.00 -0.67 1.57 -1.70 0.63 116.57 122.52 2bcb h LYS 55 Ca 0.63 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.34 2bcb h LYS 55 Cb 0.57 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2bcb h LYS 55 CO 1.87 0.20 -0.23 -0.97 -0.57 0.00 0.00 179.45 179.75 2bcb h ASN 56 N 0.31 0.00 -5.45 0.86 -1.24 -1.90 -3.48 115.58 104.67 2bcb h ASN 56 Ca 0.22 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 57.10 2bcb h ASN 56 Cb 0.48 0.00 0.10 0.00 0.73 0.00 0.00 38.32 39.62 2bcb h ASN 56 CO -0.05 0.23 -0.45 0.61 -1.29 0.00 0.00 177.43 176.48 2bcb n GLY 57 N 0.35 -1.20 0.00 1.57 0.00 0.21 -4.97 105.19 101.15 2bcb n GLY 57 Ca 0.01 0.53 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 -2.49 3.79 0.00 1.61 5.68 -1.26 -5.02 116.55 118.86 2bcb n ASP 58 Ca -0.04 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 2bcb n ASP 58 Cb 0.56 0.77 0.00 0.00 -1.14 0.00 0.00 41.12 41.31 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 1.91 1.45 3.19 6.12 0.00 -1.26 -5.11 105.19 111.49 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 0.98 0.62 1.61 8.01 -1.26 -3.05 118.70 125.60 2bcb s GLU 60 Ca 0.00 -1.46 0.07 0.00 0.01 0.00 0.00 54.97 53.59 2bcb s GLU 60 Cb 0.00 -0.06 0.10 0.00 -4.31 0.00 0.00 34.13 29.86 2bcb s GLU 60 CO 0.00 -0.16 0.85 0.08 0.01 0.00 0.00 175.26 176.04 2bcb s VAL 61 N -3.80 2.14 0.16 2.63 1.01 0.89 -4.73 120.40 118.71 2bcb s VAL 61 Ca 0.21 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 2bcb s VAL 61 Cb 0.07 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 34.21 2bcb s VAL 61 CO 0.01 0.00 0.40 -0.94 0.00 0.00 0.00 175.10 174.58 2bcb s SER 62 N -4.69 -0.15 0.26 3.32 1.04 -1.26 -0.29 113.70 111.93 2bcb s SER 62 Ca 0.63 -0.56 -0.02 0.00 0.48 0.00 0.00 55.95 56.48 2bcb s SER 62 Cb -0.06 0.50 0.54 0.00 0.10 0.00 0.00 66.02 67.11 2bcb s SER 62 CO 0.41 -0.94 1.68 0.15 0.98 0.00 0.00 173.24 175.52 2bcb h PHE 63 N 2.37 0.35 -0.75 5.02 3.57 -1.97 0.10 116.94 125.64 2bcb h PHE 63 Ca -0.31 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.30 2bcb h PHE 63 Cb 1.25 -0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.87 2bcb h PHE 63 CO 0.36 -0.10 -0.44 -1.91 -2.23 0.00 0.00 178.31 173.99 2bcb n GLU 64 N -5.15 -0.33 0.10 1.11 2.13 -1.26 -1.26 120.64 115.98 2bcb n GLU 64 Ca 0.17 1.31 -0.15 0.00 0.66 0.00 0.00 57.16 59.15 2bcb n GLU 64 Cb 0.53 -1.94 -0.12 0.00 0.27 0.00 0.00 31.44 30.18 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 0.27 -0.30 5.31 4.11 -1.70 -3.18 114.58 119.10 2bcb h GLU 65 Ca 0.12 -0.43 0.09 0.00 0.07 0.00 0.00 59.36 59.21 2bcb h GLU 65 Cb 0.31 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2bcb h GLU 65 CO -0.71 1.19 0.32 0.35 0.07 0.00 0.00 179.01 180.23 2bcb h PHE 66 N 0.09 0.00 -0.32 2.06 3.57 0.13 0.59 116.94 123.06 2bcb h PHE 66 Ca -0.12 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.47 2bcb h PHE 66 Cb 1.90 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.62 2bcb h PHE 66 CO 0.06 0.00 0.36 1.96 -2.23 0.00 0.00 178.31 178.46 2bcb h GLN 67 N 0.00 0.00 -0.72 1.11 1.08 -1.16 0.36 115.11 115.78 2bcb h GLN 67 Ca 0.14 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2bcb h GLN 67 Cb 0.78 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.17 2bcb h GLN 67 CO -0.00 0.00 0.40 0.28 -0.95 0.00 0.00 178.83 178.56 2bcb h VAL 68 N 0.00 1.22 -0.13 -0.54 2.07 -1.11 0.22 116.25 117.99 2bcb h VAL 68 Ca 0.15 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 2bcb h VAL 68 Cb 0.87 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2bcb h VAL 68 CO -0.00 0.24 -0.02 0.25 0.02 0.00 0.00 177.57 178.06 2bcb h LEU 69 N 1.00 0.24 -1.07 2.57 7.12 -0.50 -1.04 115.31 123.63 2bcb h LEU 69 Ca 0.26 -0.35 0.19 0.00 0.13 0.00 0.00 57.88 58.10 2bcb h LEU 69 Cb 0.03 -0.06 -0.10 0.00 -0.53 0.00 0.00 40.66 39.99 2bcb h LEU 69 CO -0.04 0.53 0.61 0.58 -0.13 0.00 0.00 178.44 179.99 2bcb h VAL 70 N -0.06 0.72 0.42 1.05 2.07 -0.91 -0.14 116.25 119.40 2bcb h VAL 70 Ca 0.03 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 2bcb h VAL 70 Cb 0.42 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2bcb h VAL 70 CO 0.01 0.14 -0.20 0.50 0.02 0.00 0.00 177.57 178.04 2bcb h LYS 71 N 0.75 -0.54 -0.60 1.57 3.64 -0.17 -3.16 116.57 118.05 2bcb h LYS 71 Ca 0.56 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 60.01 2bcb h LYS 71 Cb 0.89 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 2bcb h LYS 71 CO -0.35 -0.25 0.40 0.87 -2.27 0.00 0.00 179.45 177.85 2bcb h LYS 72 N -0.82 0.69 0.00 1.90 1.79 0.24 0.97 116.57 121.35 2bcb h LYS 72 Ca -0.06 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.35 2bcb h LYS 72 Cb 0.55 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2bcb h LYS 72 CO 0.09 0.46 -0.10 -0.84 -1.08 0.00 0.00 179.45 177.98 2bcb h ILE 73 N 0.71 0.84 -0.47 1.86 3.07 -1.18 0.32 117.51 122.66 2bcb h ILE 73 Ca 0.24 -0.37 -0.10 0.00 1.55 0.00 0.00 64.86 66.18 2bcb h ILE 73 Cb 0.07 1.21 -0.06 0.00 -0.27 0.00 0.00 36.82 37.77 2bcb h ILE 73 CO -0.06 0.10 0.13 -1.20 -1.05 0.00 0.00 178.15 176.06 2bcb n SER 74 N -4.09 4.03 0.00 2.16 7.64 0.30 -5.13 113.62 118.53 2bcb n SER 74 Ca -0.02 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.09 2bcb n SER 74 Cb 0.18 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 2bcb n SER 74 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70