#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 -0.49 0.42 4.39 1.04 -1.26 -5.01 113.70 112.79 2bcb s SER 2 Ca 0.00 0.38 0.09 0.00 0.48 0.00 0.00 55.95 56.90 2bcb s SER 2 Cb 0.00 0.43 0.89 0.00 0.10 0.00 0.00 66.02 67.44 2bcb s SER 2 CO 0.00 -0.56 2.02 1.55 0.98 0.00 0.00 173.24 177.23 2bcb h PRO 3 N 2.52 0.35 -0.84 4.02 0.13 -2.00 -1.71 132.00 134.47 2bcb h PRO 3 Ca -0.24 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.88 2bcb h PRO 3 Cb 1.19 -0.07 -0.05 0.00 0.13 0.00 0.00 31.00 32.20 2bcb h PRO 3 CO 0.34 0.31 0.54 1.49 -0.23 0.00 0.00 178.00 180.46 2bcb h GLU 4 N 0.35 1.03 -0.26 0.86 4.81 -1.98 0.82 114.58 120.22 2bcb h GLU 4 Ca 0.09 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 2bcb h GLU 4 Cb 0.11 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 2bcb h GLU 4 CO -0.01 0.68 0.03 1.05 -0.73 0.00 0.00 179.01 180.04 2bcb h GLU 5 N 1.06 0.12 0.71 1.92 4.11 -1.71 0.11 114.58 120.90 2bcb h GLU 5 Ca 0.33 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.72 2bcb h GLU 5 Cb -0.01 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2bcb h GLU 5 CO -0.11 0.08 -0.43 -0.07 0.07 0.00 0.00 179.01 178.55 2bcb h LEU 6 N 0.12 -1.08 -0.88 3.06 3.38 -1.10 0.83 115.31 119.65 2bcb h LEU 6 Ca 0.12 0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.28 2bcb h LEU 6 Cb 0.14 0.32 -0.14 0.00 0.09 0.00 0.00 40.66 41.06 2bcb h LEU 6 CO -0.18 -0.67 -0.34 1.17 0.09 0.00 0.00 178.44 178.51 2bcb n LYS 7 N -5.57 -0.21 0.08 1.13 4.81 0.18 -0.26 118.16 118.32 2bcb n LYS 7 Ca -0.14 1.35 -0.13 0.00 -0.87 0.00 0.00 58.31 58.52 2bcb n LYS 7 Cb 0.45 -2.00 -0.08 0.00 0.02 0.00 0.00 35.03 33.42 2bcb n LYS 7 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 2bcb h GLY 8 N 0.00 -0.23 0.21 3.14 0.00 -0.62 -3.24 103.07 102.34 2bcb h GLY 8 Ca 0.30 0.08 0.16 0.00 0.00 0.00 0.00 47.33 47.88 2bcb h GLY 8 CO -0.87 -0.08 0.52 -2.22 0.00 0.00 0.00 176.54 173.89 2bcb h ILE 9 N -0.56 0.74 0.10 2.60 1.08 0.29 0.84 117.51 122.60 2bcb h ILE 9 Ca -0.02 -0.25 0.02 0.00 -0.39 0.00 0.00 64.86 64.22 2bcb h ILE 9 Cb 0.43 -0.04 -0.04 0.00 -3.07 0.00 0.00 36.82 34.10 2bcb h ILE 9 CO 0.04 0.13 -0.31 0.15 -0.69 0.00 0.00 178.15 177.47 2bcb h PHE 10 N 0.72 -0.84 -0.46 1.37 3.57 -0.66 0.32 116.94 120.96 2bcb h PHE 10 Ca 0.51 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 62.02 2bcb h PHE 10 Cb 0.73 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 2bcb h PHE 10 CO -0.05 -0.41 0.25 1.49 -2.23 0.00 0.00 178.31 177.36 2bcb h GLU 11 N -0.52 0.65 -0.05 1.11 4.57 -1.38 0.11 114.58 119.06 2bcb h GLU 11 Ca 0.03 -0.08 0.04 0.00 -1.18 0.00 0.00 59.36 58.17 2bcb h GLU 11 Cb 0.56 -0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 28.96 2bcb h GLU 11 CO -0.19 0.52 -0.36 -0.22 -1.18 0.00 0.00 179.01 177.58 2bcb h LYS 12 N 0.61 -0.46 -0.15 1.92 3.11 -0.39 -0.15 116.57 121.06 2bcb h LYS 12 Ca 0.16 0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.98 2bcb h LYS 12 Cb 0.06 0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 31.39 2bcb h LYS 12 CO -0.03 -0.31 -0.11 1.88 -2.81 0.00 0.00 179.45 178.07 2bcb h TYR 13 N -0.48 0.39 -1.01 1.91 -1.99 -0.80 -3.15 116.97 111.84 2bcb h TYR 13 Ca 0.07 -0.11 0.25 0.00 2.00 0.00 0.00 58.73 60.94 2bcb h TYR 13 Cb 0.59 -0.09 -0.12 0.00 2.00 0.00 0.00 36.73 39.11 2bcb h TYR 13 CO -0.40 0.70 0.60 0.00 -0.00 0.00 0.00 178.16 179.06 2bcb h ALA 14 N 0.63 1.83 0.00 3.88 0.00 -0.44 -0.18 119.26 124.99 2bcb h ALA 14 Ca 0.03 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2bcb h ALA 14 Cb 0.62 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2bcb h ALA 14 CO 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 178.97 2bcb n ALA 15 N -2.32 1.87 0.49 0.00 0.00 -0.10 -2.82 120.51 117.64 2bcb n ALA 15 Ca 0.27 -0.02 -0.20 0.00 0.00 0.00 0.00 53.44 53.50 2bcb n ALA 15 Cb 0.77 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.77 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 0.00 -1.23 0.00 0.00 1.63 -1.07 -3.43 116.57 112.48 2bcb h LYS 16 Ca 0.00 0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 2bcb h LYS 16 Cb 0.39 0.28 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 2bcb h LYS 16 CO 0.00 -0.82 -0.83 -1.91 -3.45 0.00 0.00 179.45 172.44 2bcb n GLU 17 N -5.49 0.00 -0.97 1.90 4.07 -1.26 -5.08 120.64 113.80 2bcb n GLU 17 Ca -0.16 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 56.74 2bcb n GLU 17 Cb 0.51 -0.74 0.16 0.00 -0.06 0.00 0.00 31.44 31.30 2bcb n GLU 17 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2bcb n GLY 18 N 3.02 -2.08 3.77 8.31 0.00 -1.13 -5.02 105.19 112.07 2bcb n GLY 18 Ca 0.00 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 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 -3.86 6.79 0.57 1.61 -1.08 -1.24 -4.36 116.67 115.10 2bcb s ASP 19 Ca 0.49 2.20 0.32 0.00 -0.52 0.00 0.00 52.55 55.05 2bcb s ASP 19 Cb -0.03 -2.61 1.42 0.00 -1.46 0.00 0.00 42.92 40.25 2bcb s ASP 19 CO 0.36 -0.48 1.75 1.55 0.52 0.00 0.00 175.17 178.88 2bcb h PRO 20 N 2.85 0.00 0.00 4.34 0.13 -1.89 0.22 132.00 137.65 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 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2bcb h PRO 20 CO 0.63 0.00 -0.71 -0.97 -0.23 0.00 0.00 178.00 176.72 2bcb h ASN 21 N 0.00 0.00 -3.65 1.44 -1.24 -1.91 -3.40 115.58 106.82 2bcb h ASN 21 Ca 0.43 -0.11 -0.68 0.00 0.71 0.00 0.00 56.30 56.65 2bcb h ASN 21 Cb 1.99 0.00 -0.29 0.00 0.73 0.00 0.00 38.32 40.75 2bcb h ASN 21 CO -0.00 0.06 -0.83 -1.10 -1.29 0.00 0.00 177.43 174.26 2bcb s GLN 22 N -3.25 2.92 -0.52 6.67 1.11 0.77 -2.75 119.66 124.62 2bcb s GLN 22 Ca 0.04 -0.80 -0.18 0.00 0.01 0.00 0.00 55.36 54.44 2bcb s GLN 22 Cb 0.11 -2.38 0.08 0.00 -1.01 0.00 0.00 33.01 29.82 2bcb s GLN 22 CO 0.74 0.32 0.56 -0.51 0.01 0.00 0.00 175.29 176.41 2bcb s LEU 23 N 0.01 5.40 0.98 2.90 1.43 0.84 -3.80 118.68 126.43 2bcb s LEU 23 Ca -0.07 -1.24 -0.11 0.00 -1.03 0.00 0.00 54.13 51.67 2bcb s LEU 23 Cb -0.15 -2.31 0.18 0.00 0.03 0.00 0.00 46.19 43.94 2bcb s LEU 23 CO 0.05 -0.86 1.09 -0.94 0.23 0.00 0.00 176.35 175.92 2bcb s SER 24 N 2.95 2.57 0.19 2.29 1.04 -1.26 -0.03 113.70 121.45 2bcb s SER 24 Ca 0.10 1.75 -0.13 0.00 0.48 0.00 0.00 55.95 58.15 2bcb s SER 24 Cb -0.23 -2.36 0.20 0.00 0.10 0.00 0.00 66.02 63.73 2bcb s SER 24 CO 0.08 -3.25 1.69 0.50 0.98 0.00 0.00 173.24 173.25 2bcb h LYS 25 N -1.97 0.16 -0.29 4.02 3.11 -1.93 0.25 116.57 119.92 2bcb h LYS 25 Ca -0.51 -0.01 0.04 0.00 -2.81 0.00 0.00 60.65 57.37 2bcb h LYS 25 Cb 1.29 -0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 32.45 2bcb h LYS 25 CO 0.49 0.10 0.05 1.49 -2.81 0.00 0.00 179.45 178.77 2bcb h GLU 26 N 0.16 0.15 -0.37 1.90 4.81 -1.90 -1.86 114.58 117.46 2bcb h GLU 26 Ca 0.26 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2bcb h GLU 26 Cb 0.38 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 2bcb h GLU 26 CO -0.39 0.10 0.25 1.49 -0.73 0.00 0.00 179.01 179.72 2bcb h GLU 27 N 0.15 0.49 -0.88 1.92 4.57 -1.38 -2.44 114.58 117.01 2bcb h GLU 27 Ca 0.14 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.35 2bcb h GLU 27 Cb 0.15 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 28.57 2bcb h GLU 27 CO -0.19 0.32 0.55 1.25 -1.18 0.00 0.00 179.01 179.76 2bcb h LEU 28 N 0.51 0.87 0.04 1.64 5.85 -0.31 -1.64 115.31 122.26 2bcb h LEU 28 Ca 0.14 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.88 2bcb h LEU 28 Cb -0.06 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 2bcb h LEU 28 CO -0.03 0.55 -0.20 0.50 -0.34 0.00 0.00 178.44 178.92 2bcb h LYS 29 N 1.00 -0.28 -0.69 1.25 1.63 -0.85 0.23 116.57 118.87 2bcb h LYS 29 Ca 0.38 0.02 0.14 0.00 -0.85 0.00 0.00 60.65 60.34 2bcb h LYS 29 Cb 0.16 0.06 -0.10 0.00 -0.60 0.00 0.00 32.23 31.76 2bcb h LYS 29 CO -0.17 -0.19 0.16 1.37 -3.45 0.00 0.00 179.45 177.18 2bcb h LEU 30 N -0.29 0.02 0.04 5.20 -0.00 -1.42 -0.32 115.31 118.54 2bcb h LEU 30 Ca -0.00 0.13 0.02 0.00 -0.00 0.00 0.00 57.88 58.03 2bcb h LEU 30 Cb 0.29 0.18 -0.05 0.00 -0.00 0.00 0.00 40.66 41.08 2bcb h LEU 30 CO -0.11 -0.01 -0.47 0.25 -0.00 0.00 0.00 178.44 178.10 2bcb h LEU 31 N 0.27 -1.42 -0.59 0.17 6.46 -0.70 0.13 115.31 119.64 2bcb h LEU 31 Ca 0.38 0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 58.28 2bcb h LEU 31 Cb 0.61 0.54 -0.03 0.00 -0.73 0.00 0.00 40.66 41.05 2bcb h LEU 31 CO -0.47 -0.50 0.30 -0.07 -0.62 0.00 0.00 178.44 177.08 2bcb h LEU 32 N -0.65 0.76 -0.99 2.25 3.38 -0.47 -2.10 115.31 117.49 2bcb h LEU 32 Ca 0.03 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2bcb h LEU 32 Cb 0.70 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 2bcb h LEU 32 CO -0.31 0.66 0.65 1.56 0.09 0.00 0.00 178.44 181.10 2bcb h GLN 33 N 0.80 1.29 0.19 1.13 7.50 -0.73 0.27 115.11 125.57 2bcb h GLN 33 Ca 0.20 -0.08 -0.01 0.00 0.50 0.00 0.00 58.65 59.27 2bcb h GLN 33 Cb 0.10 -0.29 0.00 0.00 0.05 0.00 0.00 27.48 27.34 2bcb h GLN 33 CO -0.03 0.85 -0.09 1.15 -1.50 0.00 0.00 178.83 179.21 2bcb h THR 34 N 1.33 0.84 -0.00 -0.54 2.02 -0.25 -3.42 112.91 112.89 2bcb h THR 34 Ca 0.36 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.57 2bcb h THR 34 Cb -0.14 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2bcb h THR 34 CO -0.08 0.19 -0.01 -0.62 0.37 0.00 0.00 175.52 175.38 2bcb n GLU 35 N -4.98 3.67 -2.88 6.66 1.02 -0.84 -4.86 120.64 118.42 2bcb n GLU 35 Ca -0.08 -0.21 -0.20 0.00 -0.02 0.00 0.00 57.16 56.64 2bcb n GLU 35 Cb 0.26 -0.71 -0.02 0.00 -0.02 0.00 0.00 31.44 30.95 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 -0.58 2.08 0.05 -0.32 3.01 0.93 -4.90 117.46 117.74 2bcb n PHE 36 Ca 0.00 -3.54 -0.12 0.00 1.01 0.00 0.00 57.45 54.80 2bcb n PHE 36 Cb 0.00 -0.37 -0.09 0.00 -0.01 0.00 0.00 39.48 39.02 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 2.92 -0.18 0.11 -1.08 0.13 -1.80 -3.36 132.00 128.73 2bcb h PRO 37 Ca 0.10 0.01 -0.23 0.00 -0.87 0.00 0.00 66.00 65.02 2bcb h PRO 37 Cb 0.87 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2bcb h PRO 37 CO 0.66 0.26 -1.14 0.66 -0.23 0.00 0.00 178.00 178.21 2bcb h SER 38 N -0.73 0.35 -0.03 1.44 4.64 -1.92 -3.38 113.55 113.94 2bcb h SER 38 Ca -0.02 -0.87 0.01 0.00 -0.47 0.00 0.00 61.79 60.44 2bcb h SER 38 Cb 0.52 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2bcb h SER 38 CO 0.03 1.50 0.70 -0.07 -0.87 0.00 0.00 176.83 178.13 2bcb h LEU 39 N -0.42 0.00 -1.62 5.97 3.38 -1.91 -0.36 115.31 120.35 2bcb h LEU 39 Ca -0.24 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.76 2bcb h LEU 39 Cb 1.64 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.37 2bcb h LEU 39 CO 0.06 0.00 0.31 -0.07 0.09 0.00 0.00 178.44 178.83 2bcb h LEU 40 N 0.00 0.43 -2.72 1.67 3.38 -1.74 -3.41 115.31 112.92 2bcb h LEU 40 Ca 0.01 -0.01 -0.57 0.00 0.09 0.00 0.00 57.88 57.41 2bcb h LEU 40 Cb 1.42 -0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.94 2bcb h LEU 40 CO -0.00 0.30 -0.91 0.29 0.09 0.00 0.00 178.44 178.21 2bcb n LYS 41 N -4.48 -0.71 -2.67 1.13 5.02 -0.15 -4.85 118.16 111.46 2bcb n LYS 41 Ca 0.05 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 2bcb n LYS 41 Cb 0.16 -2.90 0.01 0.00 -0.02 0.00 0.00 35.03 32.27 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 -2.31 0.62 2.68 0.72 0.00 -1.26 -5.05 105.19 100.59 2bcb n GLY 42 Ca -0.23 -0.95 -0.05 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.37 -1.18 0.00 -0.02 0.00 -1.26 -5.09 105.19 97.27 2bcb n GLY 43 Ca 0.01 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.77 2bcb n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bcb n SER 44 N 1.04 0.00 -3.45 1.61 3.41 -1.26 -5.12 113.62 109.85 2bcb n SER 44 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 2bcb n SER 44 Cb 0.71 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.63 2bcb n SER 44 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2bcb s THR 45 N 0.30 0.00 0.26 6.66 -4.23 -1.26 -5.01 115.64 112.37 2bcb s THR 45 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.49 2bcb s THR 45 Cb 0.00 -1.00 0.24 0.00 1.34 0.00 0.00 72.50 73.08 2bcb s THR 45 CO 0.00 0.00 1.82 0.25 -0.54 0.00 0.00 174.62 176.15 2bcb h LEU 46 N 2.25 0.76 0.86 4.79 5.85 -1.99 -0.20 115.31 127.63 2bcb h LEU 46 Ca -0.31 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 2bcb h LEU 46 Cb 1.26 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 42.20 2bcb h LEU 46 CO 0.38 0.42 -0.41 0.44 -0.34 0.00 0.00 178.44 178.92 2bcb h ASP 47 N 0.86 -0.98 -0.53 1.25 5.19 -1.97 0.14 116.42 120.37 2bcb h ASP 47 Ca 0.44 0.03 0.08 0.00 -0.62 0.00 0.00 57.03 56.96 2bcb h ASP 47 Cb 0.43 0.25 -0.06 0.00 0.18 0.00 0.00 39.33 40.13 2bcb h ASP 47 CO -0.26 -0.65 0.19 -0.33 -3.12 0.00 0.00 179.24 175.07 2bcb h GLU 48 N -1.26 0.36 0.86 3.56 5.08 -1.89 0.46 114.58 121.74 2bcb h GLU 48 Ca -0.12 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 2bcb h GLU 48 Cb 0.89 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.06 2bcb h GLU 48 CO 0.19 0.24 -0.45 1.25 -1.00 0.00 0.00 179.01 179.25 2bcb h LEU 49 N 0.37 -1.08 -1.58 1.33 5.85 -0.96 0.58 115.31 119.83 2bcb h LEU 49 Ca 0.26 0.04 0.08 0.00 0.84 0.00 0.00 57.88 59.11 2bcb h LEU 49 Cb 0.30 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 2bcb h LEU 49 CO -0.27 -0.73 0.40 0.15 -0.34 0.00 0.00 178.44 177.65 2bcb h PHE 50 N -1.20 0.51 -0.32 1.25 3.57 -0.55 -0.58 116.94 119.62 2bcb h PHE 50 Ca -0.12 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.29 2bcb h PHE 50 Cb 0.93 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 2bcb h PHE 50 CO -0.01 0.26 -0.20 0.93 -2.23 0.00 0.00 178.31 177.06 2bcb h GLU 51 N 0.50 0.71 -0.27 1.11 5.08 0.26 0.57 114.58 122.54 2bcb h GLU 51 Ca 0.27 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2bcb h GLU 51 Cb 0.41 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2bcb h GLU 51 CO -0.08 0.93 0.12 1.49 -1.00 0.00 0.00 179.01 180.48 2bcb h GLU 52 N 0.48 0.26 -0.68 2.33 4.81 0.01 -2.80 114.58 118.98 2bcb h GLU 52 Ca 0.07 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2bcb h GLU 52 Cb 0.75 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 2bcb h GLU 52 CO 0.06 0.17 0.35 -0.07 -0.73 0.00 0.00 179.01 178.78 2bcb h LEU 53 N 0.27 0.88 -7.98 1.64 3.38 -0.95 -3.36 115.31 109.18 2bcb h LEU 53 Ca 0.11 -0.12 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 2bcb h LEU 53 Cb 0.04 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.48 2bcb h LEU 53 CO -0.09 0.75 1.82 -0.62 0.09 0.00 0.00 178.44 180.40 2bcb s ASP 54 N -6.06 6.60 0.10 -0.43 -1.08 0.20 -4.73 116.67 111.27 2bcb s ASP 54 Ca -0.13 -1.94 0.04 0.00 -0.52 0.00 0.00 52.55 50.00 2bcb s ASP 54 Cb 0.14 -2.58 0.32 0.00 -1.46 0.00 0.00 42.92 39.34 2bcb s ASP 54 CO 0.80 -1.41 0.46 1.17 0.52 0.00 0.00 175.17 176.70 2bcb n LYS 55 N 8.63 -0.02 -1.36 4.34 4.81 -1.26 -1.23 118.16 132.07 2bcb n LYS 55 Ca 0.41 0.41 0.01 0.00 -0.87 0.00 0.00 58.31 58.28 2bcb n LYS 55 Cb 0.48 -0.70 -0.00 0.00 0.02 0.00 0.00 35.03 34.83 2bcb n LYS 55 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2bcb n ASN 56 N -3.88 0.52 -3.42 3.14 6.94 -1.26 -5.03 115.26 112.27 2bcb n ASN 56 Ca 0.09 -1.99 -0.21 0.00 -0.02 0.00 0.00 54.58 52.45 2bcb n ASN 56 Cb 0.31 -0.16 0.06 0.00 -2.36 0.00 0.00 39.78 37.63 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 0.37 -1.03 0.07 4.83 0.00 -0.37 -4.92 105.19 104.15 2bcb n GLY 57 Ca -0.02 0.50 0.11 0.00 0.00 0.00 0.00 46.02 46.61 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 -3.04 0.51 0.00 1.61 5.68 -1.26 -4.97 116.55 115.07 2bcb n ASP 58 Ca -0.10 0.18 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 2bcb n ASP 58 Cb 0.62 1.07 0.00 0.00 -1.14 0.00 0.00 41.12 41.67 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 1.22 1.61 3.46 6.12 0.00 -1.26 -5.09 105.19 111.24 2bcb n GLY 59 Ca -0.01 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 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 1.80 0.48 1.61 8.01 -1.26 -3.47 118.70 125.87 2bcb s GLU 60 Ca 0.00 -2.07 0.08 0.00 0.01 0.00 0.00 54.97 52.99 2bcb s GLU 60 Cb 0.00 -0.51 0.02 0.00 -4.31 0.00 0.00 34.13 29.33 2bcb s GLU 60 CO 0.00 -0.43 0.51 0.08 0.01 0.00 0.00 175.26 175.43 2bcb s VAL 61 N -3.33 2.36 0.26 2.63 1.01 0.96 -4.56 120.40 119.74 2bcb s VAL 61 Ca 0.29 -1.25 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 2bcb s VAL 61 Cb 0.04 -2.61 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 2bcb s VAL 61 CO 0.16 0.00 0.47 -0.94 0.00 0.00 0.00 175.10 174.79 2bcb s SER 62 N -4.32 0.06 0.31 3.32 1.04 -1.26 -0.11 113.70 112.74 2bcb s SER 62 Ca 0.49 -1.04 0.03 0.00 0.48 0.00 0.00 55.95 55.92 2bcb s SER 62 Cb -0.05 0.60 0.62 0.00 0.10 0.00 0.00 66.02 67.29 2bcb s SER 62 CO 0.30 -1.17 1.88 0.15 0.98 0.00 0.00 173.24 175.38 2bcb h PHE 63 N 2.24 1.00 -0.25 5.02 3.57 -1.89 0.19 116.94 126.82 2bcb h PHE 63 Ca -0.27 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.30 2bcb h PHE 63 Cb 1.25 -0.32 -0.07 0.00 2.79 0.00 0.00 35.95 39.59 2bcb h PHE 63 CO 0.58 0.45 -0.55 1.49 -2.23 0.00 0.00 178.31 178.05 2bcb h GLU 64 N 0.92 -0.48 -0.12 1.11 4.81 -1.96 -1.12 114.58 117.74 2bcb h GLU 64 Ca 0.43 0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.51 2bcb h GLU 64 Cb 0.42 0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.92 2bcb h GLU 64 CO -0.20 -0.32 -0.67 1.05 -0.73 0.00 0.00 179.01 178.14 2bcb h GLU 65 N -0.50 0.66 -1.01 1.92 9.09 -1.79 -3.26 114.58 119.69 2bcb h GLU 65 Ca 0.05 -0.56 0.24 0.00 0.05 0.00 0.00 59.36 59.14 2bcb h GLU 65 Cb 0.64 0.12 -0.10 0.00 -1.65 0.00 0.00 28.75 27.76 2bcb h GLU 65 CO -0.50 1.17 0.64 0.35 0.05 0.00 0.00 179.01 180.71 2bcb h PHE 66 N 0.33 0.80 -0.01 2.06 3.57 -0.19 0.25 116.94 123.75 2bcb h PHE 66 Ca -0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2bcb h PHE 66 Cb 1.32 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 2bcb h PHE 66 CO 0.10 0.11 0.03 -0.56 -2.23 0.00 0.00 178.31 175.76 2bcb h GLN 67 N 0.51 0.00 -0.47 1.11 3.07 -1.26 0.51 115.11 118.58 2bcb h GLN 67 Ca 0.59 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 59.22 2bcb h GLN 67 Cb 1.29 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.84 2bcb h GLN 67 CO -0.34 0.00 -0.12 0.28 0.09 0.00 0.00 178.83 178.74 2bcb h VAL 68 N 0.00 1.27 -0.65 1.86 2.07 -0.71 -2.77 116.25 117.33 2bcb h VAL 68 Ca 0.00 -1.26 -0.07 0.00 0.82 0.00 0.00 66.70 66.20 2bcb h VAL 68 Cb 0.06 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2bcb h VAL 68 CO -0.00 0.43 0.15 0.25 0.02 0.00 0.00 177.57 178.43 2bcb h LEU 69 N 0.76 1.00 -1.48 2.57 5.85 -0.11 0.95 115.31 124.85 2bcb h LEU 69 Ca 0.12 -0.24 0.31 0.00 0.84 0.00 0.00 57.88 58.91 2bcb h LEU 69 Cb 0.68 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.35 2bcb h LEU 69 CO 0.05 0.97 0.73 0.58 -0.34 0.00 0.00 178.44 180.44 2bcb h VAL 70 N 0.97 0.43 0.12 1.05 2.07 -0.79 0.25 116.25 120.36 2bcb h VAL 70 Ca 0.20 -0.09 -0.17 0.00 0.82 0.00 0.00 66.70 67.46 2bcb h VAL 70 Cb 0.37 0.14 0.02 0.00 -1.52 0.00 0.00 31.29 30.29 2bcb h VAL 70 CO 0.00 0.05 -0.78 0.50 0.02 0.00 0.00 177.57 177.36 2bcb h LYS 71 N 0.27 0.26 0.00 1.57 3.64 -0.93 -3.36 116.57 118.02 2bcb h LYS 71 Ca 0.63 -0.45 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 2bcb h LYS 71 Cb 1.82 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 33.81 2bcb h LYS 71 CO -0.27 1.21 -0.07 0.87 -2.27 0.00 0.00 179.45 178.92 2bcb h LYS 72 N -0.44 0.00 0.00 1.90 1.79 0.18 -0.28 116.57 119.71 2bcb h LYS 72 Ca -0.14 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.33 2bcb h LYS 72 Cb 1.58 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.23 2bcb h LYS 72 CO 0.13 0.07 -0.01 -0.84 -1.08 0.00 0.00 179.45 177.72 2bcb h ILE 73 N 0.00 0.83 -0.42 1.86 3.07 -0.90 -0.05 117.51 121.91 2bcb h ILE 73 Ca -0.00 -0.02 -0.28 0.00 1.55 0.00 0.00 64.86 66.11 2bcb h ILE 73 Cb 0.25 1.01 -0.18 0.00 -0.27 0.00 0.00 36.82 37.63 2bcb h ILE 73 CO 0.01 0.01 -0.31 -1.20 -1.05 0.00 0.00 178.15 175.61 2bcb n SER 74 N -4.28 3.33 0.00 2.16 7.64 -0.19 -4.85 113.62 117.44 2bcb n SER 74 Ca -0.03 -3.81 0.00 0.00 1.01 0.00 0.00 58.87 56.04 2bcb n SER 74 Cb 0.09 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 2bcb n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03