#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b1g s SER 2 N 0.00 5.54 0.33 4.39 1.04 -1.26 -4.96 113.70 118.77 1b1g s SER 2 Ca 0.00 -0.37 0.07 0.00 0.48 0.00 0.00 55.95 56.14 1b1g s SER 2 Cb 0.00 -1.12 0.92 0.00 0.10 0.00 0.00 66.02 65.92 1b1g s SER 2 CO 0.00 -0.33 1.57 -0.65 0.98 0.00 0.00 173.24 174.81 1b1g h PRO 3 N 1.17 0.00 -0.25 4.02 0.11 -1.98 0.35 132.00 135.43 1b1g h PRO 3 Ca -0.46 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.67 1b1g h PRO 3 Cb 1.25 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1b1g h PRO 3 CO 0.57 0.00 0.17 0.93 -0.21 0.00 0.00 178.00 179.46 1b1g h GLU 4 N 0.00 0.25 0.08 1.05 3.07 -2.00 0.14 114.58 117.17 1b1g h GLU 4 Ca 0.67 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.51 1b1g h GLU 4 Cb 1.52 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.37 1b1g h GLU 4 CO -0.89 0.17 -0.04 0.93 -1.40 0.00 0.00 179.01 177.77 1b1g h GLU 5 N 0.26 -0.10 0.00 2.33 4.39 -1.33 -3.37 114.58 116.75 1b1g h GLU 5 Ca 0.10 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 1b1g h GLU 5 Cb 0.09 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1b1g h GLU 5 CO -0.02 0.45 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.06 1b1g h LEU 6 N -0.79 0.00 -1.02 1.33 3.38 -0.84 0.56 115.31 117.95 1b1g h LEU 6 Ca -0.01 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.21 1b1g h LEU 6 Cb 0.60 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.22 1b1g h LEU 6 CO 0.02 0.15 0.60 0.50 0.09 0.00 0.00 178.44 179.79 1b1g h LYS 7 N 0.00 0.55 -0.00 1.13 3.64 -0.92 0.15 116.57 121.11 1b1g h LYS 7 Ca -0.00 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1b1g h LYS 7 Cb 0.27 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1b1g h LYS 7 CO 0.02 0.36 -0.01 0.78 -2.27 0.00 0.00 179.45 178.33 1b1g h GLY 8 N 0.56 0.01 0.26 5.01 0.00 -1.08 -2.85 103.07 104.99 1b1g h GLY 8 Ca 0.65 -0.01 0.04 0.00 0.00 0.00 0.00 47.33 48.01 1b1g h GLY 8 CO -0.48 0.01 -0.29 -2.22 0.00 0.00 0.00 176.54 173.56 1b1g h ILE 9 N -0.51 0.34 -0.64 2.60 1.08 -1.23 0.14 117.51 119.29 1b1g h ILE 9 Ca 0.00 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.57 1b1g h ILE 9 Cb 0.54 0.34 -0.12 0.00 -3.07 0.00 0.00 36.82 34.51 1b1g h ILE 9 CO 0.00 0.00 -0.40 0.15 -0.69 0.00 0.00 178.15 177.22 1b1g h PHE 10 N -0.40 -1.14 -0.99 1.37 3.57 -0.83 -0.05 116.94 118.48 1b1g h PHE 10 Ca 0.08 0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.70 1b1g h PHE 10 Cb 0.52 0.59 -0.06 0.00 2.79 0.00 0.00 35.95 39.79 1b1g h PHE 10 CO -0.36 -0.40 0.65 1.49 -2.23 0.00 0.00 178.31 177.46 1b1g h GLU 11 N -0.17 1.23 -0.64 1.11 4.81 -1.01 0.16 114.58 120.07 1b1g h GLU 11 Ca 0.22 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1b1g h GLU 11 Cb 0.56 -0.28 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1b1g h GLU 11 CO -0.73 0.81 0.40 -0.22 -0.73 0.00 0.00 179.01 178.54 1b1g h LYS 12 N 1.26 0.87 0.14 1.92 3.64 0.11 -2.94 116.57 121.58 1b1g h LYS 12 Ca 0.39 -0.07 -0.35 0.00 -1.27 0.00 0.00 60.65 59.35 1b1g h LYS 12 Cb -0.02 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1b1g h LYS 12 CO -0.12 0.61 -1.83 1.88 -2.27 0.00 0.00 179.45 177.73 1b1g h TYR 13 N 0.87 0.56 -1.23 1.91 -1.99 -1.16 -3.36 116.97 112.57 1b1g h TYR 13 Ca 0.23 -0.41 0.35 0.00 2.00 0.00 0.00 58.73 60.91 1b1g h TYR 13 Cb -0.04 -0.02 -0.07 0.00 2.00 0.00 0.00 36.73 38.60 1b1g h TYR 13 CO -0.02 1.66 0.86 0.00 -0.00 0.00 0.00 178.16 180.65 1b1g h ALA 14 N 0.19 2.95 -0.26 3.88 0.00 -0.66 -0.37 119.26 124.99 1b1g h ALA 14 Ca -0.36 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1b1g h ALA 14 Cb 2.06 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 1b1g h ALA 14 CO 0.13 -1.34 -0.01 0.00 0.00 0.00 0.00 179.25 178.03 1b1g h ALA 15 N 1.44 1.51 0.37 0.00 0.00 -1.67 -3.39 119.26 117.51 1b1g h ALA 15 Ca 0.62 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 1b1g h ALA 15 Cb 2.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.92 1b1g h ALA 15 CO -0.11 0.36 -0.18 -0.22 0.00 0.00 0.00 179.25 179.10 1b1g h LYS 16 N 0.37 -0.47 0.00 0.00 1.63 -1.28 -3.44 116.57 113.38 1b1g h LYS 16 Ca 0.08 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1b1g h LYS 16 Cb 0.27 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1b1g h LYS 16 CO 0.01 -0.20 0.00 0.39 -3.45 0.00 0.00 179.45 176.19 1b1g n GLU 17 N -5.22 0.00 -2.66 1.90 -0.58 -1.26 -4.98 120.64 107.83 1b1g n GLU 17 Ca -0.10 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.41 1b1g n GLU 17 Cb 0.26 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.16 1b1g n GLU 17 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1b1g s GLY 18 N 0.00 1.72 0.46 0.62 0.00 -1.26 -5.05 107.32 103.82 1b1g s GLY 18 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.56 1b1g s GLY 18 CO 0.00 -0.89 0.00 1.34 0.00 0.00 0.00 173.10 173.55 1b1g n ASP 19 N -2.36 -8.52 0.12 1.64 -0.08 -1.26 -4.86 116.55 101.23 1b1g n ASP 19 Ca 0.06 1.27 0.13 0.00 -1.51 0.00 0.00 54.79 54.74 1b1g n ASP 19 Cb 0.59 -4.96 0.29 0.00 2.34 0.00 0.00 41.12 39.38 1b1g n ASP 19 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1b1g h PRO 20 N 2.17 0.00 0.00 -0.67 0.13 -1.84 -3.39 132.00 128.40 1b1g h PRO 20 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.99 1b1g h PRO 20 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1b1g h PRO 20 CO 0.00 0.00 -1.51 -1.71 -0.23 0.00 0.00 178.00 174.55 1b1g n ASN 21 N -2.42 2.05 -4.83 1.44 5.15 -1.26 -4.17 115.26 111.22 1b1g n ASN 21 Ca 0.04 0.03 -0.33 0.00 -0.60 0.00 0.00 54.58 53.72 1b1g n ASN 21 Cb 0.46 -0.20 -0.07 0.00 -0.53 0.00 0.00 39.78 39.44 1b1g n ASN 21 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1b1g s GLN 22 N -2.17 4.17 -0.60 1.20 1.11 -1.26 -4.63 119.66 117.48 1b1g s GLN 22 Ca -0.12 0.98 -0.22 0.00 0.01 0.00 0.00 55.36 56.00 1b1g s GLN 22 Cb 0.04 -2.31 0.06 0.00 -1.01 0.00 0.00 33.01 29.79 1b1g s GLN 22 CO 0.18 0.06 0.90 -0.51 0.01 0.00 0.00 175.29 175.93 1b1g s LEU 23 N -3.02 4.41 0.81 2.90 1.43 0.84 -4.53 118.68 121.52 1b1g s LEU 23 Ca 0.58 -0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 52.80 1b1g s LEU 23 Cb -0.10 -2.56 0.08 0.00 0.03 0.00 0.00 46.19 43.64 1b1g s LEU 23 CO 0.15 -1.27 1.09 -0.94 0.23 0.00 0.00 176.35 175.61 1b1g s SER 24 N 3.24 4.18 0.24 2.29 1.04 -1.26 -0.07 113.70 123.35 1b1g s SER 24 Ca 0.24 1.72 -0.06 0.00 0.48 0.00 0.00 55.95 58.32 1b1g s SER 24 Cb -0.16 -2.41 0.42 0.00 0.10 0.00 0.00 66.02 63.97 1b1g s SER 24 CO 0.13 -2.22 1.69 0.50 0.98 0.00 0.00 173.24 174.32 1b1g h LYS 25 N -1.26 0.26 -0.93 4.02 3.64 -1.93 0.17 116.57 120.54 1b1g h LYS 25 Ca -0.45 -0.02 0.26 0.00 -1.27 0.00 0.00 60.65 59.17 1b1g h LYS 25 Cb 1.25 -0.06 -0.16 0.00 -0.41 0.00 0.00 32.23 32.84 1b1g h LYS 25 CO 0.52 0.17 0.15 1.49 -2.27 0.00 0.00 179.45 179.51 1b1g h GLU 26 N 0.27 0.08 0.00 1.90 4.57 -1.91 -2.95 114.58 116.54 1b1g h GLU 26 Ca 0.39 -0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 58.33 1b1g h GLU 26 Cb 0.65 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.18 1b1g h GLU 26 CO -0.49 0.05 -1.67 -1.91 -1.18 0.00 0.00 179.01 173.81 1b1g n GLU 27 N -5.36 0.63 -0.35 1.92 2.13 0.46 -3.48 120.64 116.59 1b1g n GLU 27 Ca 0.23 0.21 0.11 0.00 0.66 0.00 0.00 57.16 58.36 1b1g n GLU 27 Cb 0.76 -1.76 0.30 0.00 0.27 0.00 0.00 31.44 31.01 1b1g n GLU 27 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1b1g h LEU 28 N 0.00 0.83 -0.13 4.31 5.85 -0.98 -3.27 115.31 121.93 1b1g h LEU 28 Ca -0.25 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1b1g h LEU 28 Cb 1.81 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.74 1b1g h LEU 28 CO 0.05 0.37 -0.11 0.50 -0.34 0.00 0.00 178.44 178.92 1b1g h LYS 29 N 0.85 -0.04 -0.72 1.25 3.64 -1.64 -0.76 116.57 119.16 1b1g h LYS 29 Ca 0.53 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 60.05 1b1g h LYS 29 Cb 0.72 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.46 1b1g h LYS 29 CO -0.32 -0.03 0.25 1.37 -2.27 0.00 0.00 179.45 178.46 1b1g h LEU 30 N -0.04 0.20 -0.40 5.20 -0.00 -1.78 -0.80 115.31 117.68 1b1g h LEU 30 Ca 0.02 0.11 0.08 0.00 -0.00 0.00 0.00 57.88 58.10 1b1g h LEU 30 Cb 0.10 0.11 -0.09 0.00 -0.00 0.00 0.00 40.66 40.78 1b1g h LEU 30 CO -0.14 0.07 -0.27 0.25 -0.00 0.00 0.00 178.44 178.35 1b1g h LEU 31 N 0.39 -0.92 0.18 0.17 6.46 -1.35 0.44 115.31 120.69 1b1g h LEU 31 Ca 0.39 0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 58.33 1b1g h LEU 31 Cb 0.60 0.45 -0.01 0.00 -0.73 0.00 0.00 40.66 40.97 1b1g h LEU 31 CO -0.41 -0.29 -0.12 -0.07 -0.62 0.00 0.00 178.44 176.93 1b1g h LEU 32 N -0.20 -0.31 -1.48 2.25 3.38 0.24 0.16 115.31 119.35 1b1g h LEU 32 Ca 0.19 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1b1g h LEU 32 Cb 0.50 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1b1g h LEU 32 CO -0.52 -0.20 0.24 1.56 0.09 0.00 0.00 178.44 179.61 1b1g h GLN 33 N -0.30 0.58 0.00 1.13 4.20 -0.91 -0.42 115.11 119.39 1b1g h GLN 33 Ca -0.01 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.48 1b1g h GLN 33 Cb 0.26 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1b1g h GLN 33 CO 0.01 0.43 -0.96 1.15 -0.67 0.00 0.00 178.83 178.79 1b1g h THR 34 N 0.59 0.92 0.00 -0.54 2.02 -0.72 -3.43 112.91 111.75 1b1g h THR 34 Ca 0.15 -2.04 -0.36 0.00 0.77 0.00 0.00 66.41 64.93 1b1g h THR 34 Cb 0.01 2.08 -0.07 0.00 -1.74 0.00 0.00 68.15 68.44 1b1g h THR 34 CO -0.03 0.31 -2.30 -0.62 0.37 0.00 0.00 175.52 173.26 1b1g n GLU 35 N -4.49 0.68 -3.03 6.66 -0.58 0.56 -4.84 120.64 115.60 1b1g n GLU 35 Ca -0.25 0.07 -0.17 0.00 -0.42 0.00 0.00 57.16 56.39 1b1g n GLU 35 Cb 0.59 -1.57 -0.03 0.00 -0.57 0.00 0.00 31.44 29.86 1b1g n GLU 35 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 1b1g n PHE 36 N -2.91 -1.81 -0.07 -0.32 1.16 -0.19 -4.88 117.46 108.44 1b1g n PHE 36 Ca -0.33 -2.69 0.22 0.00 -1.87 0.00 0.00 57.45 52.78 1b1g n PHE 36 Cb 1.11 0.57 0.68 0.00 -1.61 0.00 0.00 39.48 40.23 1b1g n PHE 36 CO 0.00 0.00 0.00 -1.00 -1.87 0.00 0.00 176.76 173.89 1b1g h PRO 37 N 4.38 0.04 -1.12 3.97 0.13 -1.77 -1.95 132.00 135.69 1b1g h PRO 37 Ca 0.03 -0.00 0.33 0.00 -0.87 0.00 0.00 66.00 65.49 1b1g h PRO 37 Cb 0.96 -0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.96 1b1g h PRO 37 CO 0.35 0.03 0.70 0.77 -0.23 0.00 0.00 178.00 179.62 1b1g h SER 38 N 0.04 0.41 0.41 1.44 0.02 -1.89 0.23 113.55 114.21 1b1g h SER 38 Ca 0.32 0.13 -0.22 0.00 -0.84 0.00 0.00 61.79 61.18 1b1g h SER 38 Cb 1.23 0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.84 1b1g h SER 38 CO -0.02 -0.05 -0.93 -0.07 -1.14 0.00 0.00 176.83 174.63 1b1g h LEU 39 N 0.29 0.45 -0.72 5.07 3.38 -1.73 0.14 115.31 122.18 1b1g h LEU 39 Ca 0.70 -0.36 -0.10 0.00 0.09 0.00 0.00 57.88 58.20 1b1g h LEU 39 Cb 1.87 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.46 1b1g h LEU 39 CO -0.41 1.17 -0.12 -0.07 0.09 0.00 0.00 178.44 179.09 1b1g h LEU 40 N 0.19 0.85 -0.10 1.67 3.38 -0.70 0.08 115.31 120.68 1b1g h LEU 40 Ca -0.07 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1b1g h LEU 40 Cb 1.56 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 1b1g h LEU 40 CO 0.16 0.98 0.04 0.11 0.09 0.00 0.00 178.44 179.82 1b1g h LYS 41 N 0.76 0.15 -0.96 1.13 1.57 -1.03 -3.21 116.57 114.99 1b1g h LYS 41 Ca 0.12 -0.03 0.15 0.00 -1.87 0.00 0.00 60.65 59.03 1b1g h LYS 41 Cb 0.63 -0.02 -0.15 0.00 0.08 0.00 0.00 32.23 32.77 1b1g h LYS 41 CO 0.04 0.26 -0.37 0.41 -0.57 0.00 0.00 179.45 179.22 1b1g n GLY 42 N -0.69 -1.97 0.00 3.86 0.00 0.03 -4.96 105.19 101.47 1b1g n GLY 42 Ca -0.06 1.07 0.00 0.00 0.00 0.00 0.00 46.02 47.04 1b1g n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b1g n GLY 43 N -1.46 -0.17 2.72 -0.02 0.00 -0.07 -5.06 105.19 101.13 1b1g n GLY 43 Ca 0.10 -0.61 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 1b1g n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1b1g n SER 44 N 0.00 -3.97 -4.73 1.61 7.64 -1.26 -4.38 113.62 108.52 1b1g n SER 44 Ca 0.00 1.30 -0.32 0.00 1.01 0.00 0.00 58.87 60.86 1b1g n SER 44 Cb 0.00 -4.80 0.10 0.00 -1.01 0.00 0.00 64.21 58.50 1b1g n SER 44 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1b1g s THR 45 N -0.98 2.75 0.14 0.44 2.01 -1.26 -4.79 115.64 113.95 1b1g s THR 45 Ca -0.15 0.29 -0.23 0.00 0.31 0.00 0.00 61.69 61.90 1b1g s THR 45 Cb 0.01 -2.67 0.01 0.00 0.01 0.00 0.00 72.50 69.86 1b1g s THR 45 CO 0.69 -0.28 1.63 0.25 -0.69 0.00 0.00 174.62 176.22 1b1g h LEU 46 N -0.94 -0.79 0.23 4.42 5.85 -1.99 0.66 115.31 122.75 1b1g h LEU 46 Ca -0.45 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 1b1g h LEU 46 Cb 1.26 0.36 0.00 0.00 0.37 0.00 0.00 40.66 42.65 1b1g h LEU 46 CO 0.49 -0.29 -0.11 0.44 -0.34 0.00 0.00 178.44 178.62 1b1g h ASP 47 N -0.29 -0.26 -0.84 1.25 3.32 -1.97 0.66 116.42 118.28 1b1g h ASP 47 Ca 0.12 -0.23 0.14 0.00 0.02 0.00 0.00 57.03 57.08 1b1g h ASP 47 Cb 0.47 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 40.02 1b1g h ASP 47 CO -0.35 0.11 0.55 -0.33 -1.72 0.00 0.00 179.24 177.50 1b1g h GLU 48 N -0.67 0.61 0.09 3.56 5.08 -1.88 0.35 114.58 121.72 1b1g h GLU 48 Ca -0.03 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1b1g h GLU 48 Cb 0.47 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1b1g h GLU 48 CO 0.05 0.41 -0.04 1.25 -1.00 0.00 0.00 179.01 179.67 1b1g h LEU 49 N 0.63 -0.11 -1.45 1.33 5.85 -0.77 -3.34 115.31 117.45 1b1g h LEU 49 Ca 0.41 0.00 0.36 0.00 0.84 0.00 0.00 57.88 59.49 1b1g h LEU 49 Cb 0.70 0.03 -0.11 0.00 0.37 0.00 0.00 40.66 41.65 1b1g h LEU 49 CO -0.17 -0.02 0.78 0.15 -0.34 0.00 0.00 178.44 178.84 1b1g h PHE 50 N -0.24 0.53 0.00 1.25 3.04 -0.59 -0.93 116.94 120.00 1b1g h PHE 50 Ca -0.01 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.90 1b1g h PHE 50 Cb 0.10 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.46 1b1g h PHE 50 CO 0.08 -0.07 -0.27 0.93 -2.02 0.00 0.00 178.31 176.96 1b1g h GLU 51 N 0.21 0.00 -0.20 1.11 5.08 -0.43 0.47 114.58 120.81 1b1g h GLU 51 Ca 0.70 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.85 1b1g h GLU 51 Cb 2.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.37 1b1g h GLU 51 CO -0.32 0.27 -0.70 1.49 -1.00 0.00 0.00 179.01 178.74 1b1g h GLU 52 N 0.00 0.83 -0.15 2.33 4.81 -1.31 -3.37 114.58 117.72 1b1g h GLU 52 Ca -0.00 -0.63 -0.05 0.00 -0.13 0.00 0.00 59.36 58.56 1b1g h GLU 52 Cb 0.51 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.00 1b1g h GLU 52 CO 0.03 1.24 -0.08 -0.07 -0.73 0.00 0.00 179.01 179.41 1b1g h LEU 53 N 0.60 0.34 -8.54 1.64 3.38 -0.85 -3.38 115.31 108.49 1b1g h LEU 53 Ca -0.03 -0.42 -0.54 0.00 0.09 0.00 0.00 57.88 56.98 1b1g h LEU 53 Cb 1.33 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.93 1b1g h LEU 53 CO 0.15 0.68 1.16 -0.62 0.09 0.00 0.00 178.44 179.90 1b1g s ASP 54 N -5.99 5.93 0.05 -0.43 2.15 0.15 -4.66 116.67 113.85 1b1g s ASP 54 Ca -0.14 0.21 -0.29 0.00 0.43 0.00 0.00 52.55 52.76 1b1g s ASP 54 Cb 0.05 -2.54 -0.17 0.00 -0.30 0.00 0.00 42.92 39.96 1b1g s ASP 54 CO 0.74 -1.89 1.47 0.50 -0.17 0.00 0.00 175.17 175.82 1b1g h LYS 55 N 11.85 -0.62 -0.06 4.34 1.63 -1.86 -3.21 116.57 128.64 1b1g h LYS 55 Ca -0.27 0.04 -0.15 0.00 -0.85 0.00 0.00 60.65 59.42 1b1g h LYS 55 Cb 1.10 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.86 1b1g h LYS 55 CO 1.20 -0.35 -0.65 -0.97 -3.45 0.00 0.00 179.45 175.23 1b1g h ASN 56 N -0.78 0.27 -3.35 4.20 -0.73 -1.93 -3.48 115.58 109.78 1b1g h ASN 56 Ca -0.07 -0.17 0.00 0.00 1.87 0.00 0.00 56.30 57.94 1b1g h ASN 56 Cb 0.56 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.07 1b1g h ASN 56 CO 0.11 0.85 -0.02 0.61 -0.37 0.00 0.00 177.43 178.61 1b1g n GLY 57 N 0.37 -0.53 0.00 1.57 0.00 -1.21 -5.03 105.19 100.36 1b1g n GLY 57 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1b1g n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b1g n ASP 58 N -0.95 3.12 0.00 1.61 5.68 -1.26 -5.04 116.55 119.70 1b1g n ASP 58 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1b1g n ASP 58 Cb 0.39 0.59 0.00 0.00 -1.14 0.00 0.00 41.12 40.96 1b1g n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b1g n GLY 59 N 1.61 1.28 3.19 6.12 0.00 -1.26 -5.11 105.19 111.02 1b1g n GLY 59 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1b1g n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b1g s GLU 60 N -0.09 0.96 0.25 1.61 8.01 -1.26 -3.35 118.70 124.82 1b1g s GLU 60 Ca 0.00 -1.43 0.05 0.00 0.01 0.00 0.00 54.97 53.60 1b1g s GLU 60 Cb 0.00 -0.15 -0.03 0.00 -4.31 0.00 0.00 34.13 29.64 1b1g s GLU 60 CO 0.00 -0.11 0.36 0.08 0.01 0.00 0.00 175.26 175.60 1b1g s VAL 61 N -3.71 5.09 0.22 2.63 1.01 0.89 -4.68 120.40 121.85 1b1g s VAL 61 Ca 0.19 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 1b1g s VAL 61 Cb 0.06 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1b1g s VAL 61 CO -0.00 -0.31 0.19 -0.94 0.00 0.00 0.00 175.10 174.03 1b1g s SER 62 N -3.99 0.28 0.31 3.32 1.04 -1.26 -0.11 113.70 113.29 1b1g s SER 62 Ca 0.35 -1.38 0.08 0.00 0.48 0.00 0.00 55.95 55.48 1b1g s SER 62 Cb -0.09 0.42 0.89 0.00 0.10 0.00 0.00 66.02 67.34 1b1g s SER 62 CO 0.29 -0.90 1.65 0.15 0.98 0.00 0.00 173.24 175.41 1b1g h PHE 63 N 2.53 0.62 -0.47 5.02 3.04 -1.96 0.15 116.94 125.86 1b1g h PHE 63 Ca -0.34 0.04 0.09 0.00 3.98 0.00 0.00 57.97 61.75 1b1g h PHE 63 Cb 1.25 -0.12 -0.09 0.00 2.56 0.00 0.00 35.95 39.55 1b1g h PHE 63 CO 0.50 -0.20 -0.11 1.49 -2.02 0.00 0.00 178.31 177.97 1b1g h GLU 64 N 0.26 0.00 0.12 1.11 4.57 -1.98 -0.82 114.58 117.85 1b1g h GLU 64 Ca 0.64 -0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 58.51 1b1g h GLU 64 Cb 1.38 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.96 1b1g h GLU 64 CO -0.64 0.00 -1.60 0.93 -1.18 0.00 0.00 179.01 176.52 1b1g h GLU 65 N 0.00 0.25 -0.72 1.92 5.08 -1.59 -3.28 114.58 116.25 1b1g h GLU 65 Ca 0.23 -0.42 0.21 0.00 -1.00 0.00 0.00 59.36 58.37 1b1g h GLU 65 Cb 0.35 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1b1g h GLU 65 CO -0.48 1.10 0.56 0.35 -1.00 0.00 0.00 179.01 179.54 1b1g h PHE 66 N 0.07 0.00 -1.26 4.33 3.04 -0.29 0.49 116.94 123.32 1b1g h PHE 66 Ca -0.27 0.00 0.37 0.00 3.98 0.00 0.00 57.97 62.05 1b1g h PHE 66 Cb 2.02 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 40.45 1b1g h PHE 66 CO 0.06 0.00 0.86 1.96 -2.02 0.00 0.00 178.31 179.17 1b1g h GLN 67 N 0.00 0.14 -0.24 1.11 1.08 -1.22 0.49 115.11 116.48 1b1g h GLN 67 Ca 0.34 -0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 57.42 1b1g h GLN 67 Cb 1.46 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.84 1b1g h GLN 67 CO -0.00 0.09 -0.34 0.28 -0.95 0.00 0.00 178.83 177.91 1b1g h VAL 68 N 0.14 1.29 -0.61 -0.54 2.07 -1.15 -2.48 116.25 114.97 1b1g h VAL 68 Ca 0.68 -1.45 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 1b1g h VAL 68 Cb 2.27 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 33.49 1b1g h VAL 68 CO -0.20 0.45 0.03 0.25 0.02 0.00 0.00 177.57 178.13 1b1g h LEU 69 N 0.43 1.02 -1.99 2.57 6.46 -0.22 -1.10 115.31 122.48 1b1g h LEU 69 Ca 0.05 -0.27 0.18 0.00 -0.12 0.00 0.00 57.88 57.72 1b1g h LEU 69 Cb 0.80 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 1b1g h LEU 69 CO 0.06 1.05 0.51 0.58 -0.62 0.00 0.00 178.44 180.02 1b1g h VAL 70 N 0.97 0.55 0.57 1.05 2.07 -0.80 0.20 116.25 120.85 1b1g h VAL 70 Ca 0.18 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.67 1b1g h VAL 70 Cb 0.51 0.63 0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1b1g h VAL 70 CO 0.02 0.00 -0.27 0.50 0.02 0.00 0.00 177.57 177.84 1b1g h LYS 71 N 0.00 -0.73 0.00 1.57 1.63 -0.81 -3.37 116.57 114.85 1b1g h LYS 71 Ca 0.30 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.15 1b1g h LYS 71 Cb 1.31 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 33.10 1b1g h LYS 71 CO -0.00 -0.49 0.00 1.63 -3.45 0.00 0.00 179.45 177.14 1b1g n LYS 72 N -5.19 0.18 0.08 1.90 5.02 0.47 -0.50 118.16 120.12 1b1g n LYS 72 Ca -0.09 0.53 0.11 0.00 -2.02 0.00 0.00 58.31 56.84 1b1g n LYS 72 Cb 0.30 -1.93 0.59 0.00 -0.02 0.00 0.00 35.03 33.97 1b1g n LYS 72 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1b1g h ILE 73 N 0.00 0.93 -0.38 -0.18 3.07 -1.10 0.11 117.51 119.95 1b1g h ILE 73 Ca 0.00 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 66.35 1b1g h ILE 73 Cb 0.21 0.74 0.00 0.00 -0.27 0.00 0.00 36.82 37.50 1b1g h ILE 73 CO 0.00 0.03 0.00 -1.20 -1.05 0.00 0.00 178.15 175.93 1b1g n SER 74 N -4.48 3.81 0.00 2.16 7.64 0.35 -5.02 113.62 118.08 1b1g n SER 74 Ca 0.04 -2.51 0.02 0.00 1.01 0.00 0.00 58.87 57.43 1b1g n SER 74 Cb 0.28 -0.58 0.11 0.00 -1.01 0.00 0.00 64.21 63.01 1b1g n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03