#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yww s ASN 2 N 0.00 6.49 -0.77 7.83 2.47 -1.26 -4.96 114.94 124.75 1yww s ASN 2 Ca 0.00 0.11 -0.25 0.00 0.42 0.00 0.00 52.86 53.14 1yww s ASN 2 Cb 0.00 -2.49 -0.02 0.00 -1.45 0.00 0.00 41.25 37.29 1yww s ASN 2 CO 0.00 -1.21 1.82 -0.55 -3.72 0.00 0.00 177.10 173.44 1yww s SER 3 N 2.54 5.38 0.06 -4.21 0.15 -1.26 -4.95 113.70 111.41 1yww s SER 3 Ca 0.40 -0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.80 1yww s SER 3 Cb -0.09 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 1yww s SER 3 CO 0.26 -2.42 0.11 -0.62 1.20 0.00 0.00 173.24 171.78 1yww s ASP 4 N 7.50 5.79 0.00 5.45 2.15 -1.26 -5.01 116.67 131.28 1yww s ASP 4 Ca 0.64 0.10 0.07 0.00 0.43 0.00 0.00 52.55 53.79 1yww s ASP 4 Cb -0.09 -1.64 0.04 0.00 -0.30 0.00 0.00 42.92 40.93 1yww s ASP 4 CO 0.09 0.19 0.67 1.33 -0.17 0.00 0.00 175.17 177.29 1yww n VAL 5 N 0.58 0.00 -0.00 1.11 0.24 -1.26 -4.51 118.33 114.49 1yww n VAL 5 Ca -0.09 -0.48 -0.03 0.00 -2.04 0.00 0.00 64.34 61.70 1yww n VAL 5 Cb 0.52 1.13 -0.11 0.00 -1.47 0.00 0.00 33.84 33.91 1yww n VAL 5 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1yww n ILE 6 N 0.23 1.27 0.23 1.34 5.41 -1.26 -4.08 119.36 122.50 1yww n ILE 6 Ca 0.04 -0.73 0.18 0.00 1.00 0.00 0.00 62.75 63.23 1yww n ILE 6 Cb 0.17 -0.75 0.87 0.00 -0.71 0.00 0.00 39.64 39.22 1yww n ILE 6 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1yww h LYS 7 N 0.00 0.00 -0.03 0.38 3.64 -1.78 0.49 116.57 119.27 1yww h LYS 7 Ca -0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1yww h LYS 7 Cb 1.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.58 1yww h LYS 7 CO 0.05 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.64 1yww n GLY 8 N -1.35 0.47 0.36 5.01 0.00 -1.26 -4.41 105.19 104.02 1yww n GLY 8 Ca 0.01 -0.54 0.02 0.00 0.00 0.00 0.00 46.02 45.51 1yww n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yww n LYS 9 N 1.06 0.34 -0.03 1.61 5.02 0.42 -4.93 118.16 121.64 1yww n LYS 9 Ca 0.11 -1.31 -0.12 0.00 -2.02 0.00 0.00 58.31 54.97 1yww n LYS 9 Cb 0.47 -0.72 -0.06 0.00 -0.02 0.00 0.00 35.03 34.70 1yww n LYS 9 CO 0.00 0.00 0.00 2.35 -0.52 0.00 0.00 177.40 179.23 1yww h TRP 10 N 0.00 -1.26 -0.00 2.13 2.91 -0.38 0.12 115.95 119.47 1yww h TRP 10 Ca 0.00 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.07 1yww h TRP 10 Cb 1.27 0.58 0.00 0.00 -0.51 0.00 0.00 29.16 30.49 1yww h TRP 10 CO 0.07 -0.47 -0.05 1.17 -1.03 0.00 0.00 178.44 178.12 1yww n LYS 11 N -5.43 0.40 0.00 2.65 4.81 -1.26 -2.56 118.16 116.77 1yww n LYS 11 Ca -0.03 -0.06 0.10 0.00 -0.87 0.00 0.00 58.31 57.45 1yww n LYS 11 Cb 0.36 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.85 1yww n LYS 11 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1yww n GLN 12 N -1.25 0.01 0.00 1.64 1.13 -0.33 -4.12 117.38 114.46 1yww n GLN 12 Ca 0.13 -0.01 0.06 0.00 -1.94 0.00 0.00 57.00 55.24 1yww n GLN 12 Cb 0.27 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.16 1yww n GLN 12 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1yww n LEU 13 N -1.49 1.90 -0.23 1.08 4.77 0.27 -4.65 117.00 118.65 1yww n LEU 13 Ca 0.04 -0.94 0.02 0.00 -0.03 0.00 0.00 56.01 55.11 1yww n LEU 13 Cb 0.33 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.57 1yww n LEU 13 CO 0.42 0.36 1.00 0.71 -1.33 0.00 0.00 177.39 178.54 1yww h THR 14 N 2.25 0.71 -0.33 -5.08 1.35 -1.68 0.30 112.91 110.43 1yww h THR 14 Ca 0.00 -0.14 -0.01 0.00 -0.55 0.00 0.00 66.41 65.71 1yww h THR 14 Cb 0.51 0.25 -0.02 0.00 -1.73 0.00 0.00 68.15 67.17 1yww h THR 14 CO 0.00 0.08 0.16 1.23 -0.25 0.00 0.00 175.52 176.74 1yww h GLY 15 N 0.42 0.50 1.29 5.82 0.00 -1.87 0.14 103.07 109.37 1yww h GLY 15 Ca 0.36 -0.24 -0.12 0.00 0.00 0.00 0.00 47.33 47.33 1yww h GLY 15 CO -0.36 0.23 -0.21 1.70 0.00 0.00 0.00 176.54 177.91 1yww h LYS 16 N 0.39 0.82 -0.36 4.80 3.64 -1.73 -1.53 116.57 122.61 1yww h LYS 16 Ca 0.11 -0.33 -0.04 0.00 -1.27 0.00 0.00 60.65 59.13 1yww h LYS 16 Cb 0.11 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1yww h LYS 16 CO -0.01 0.95 0.08 0.82 -2.27 0.00 0.00 179.45 179.02 1yww h ILE 17 N 0.72 1.23 -0.61 2.00 2.04 -0.75 -2.33 117.51 119.80 1yww h ILE 17 Ca 0.10 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.22 1yww h ILE 17 Cb 0.73 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 1yww h ILE 17 CO 0.06 0.26 0.36 0.50 0.00 0.00 0.00 178.15 179.33 1yww h LYS 18 N 0.42 0.68 0.00 2.37 3.64 -0.49 -2.21 116.57 120.98 1yww h LYS 18 Ca 0.11 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 1yww h LYS 18 Cb 0.32 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1yww h LYS 18 CO 0.00 0.45 -0.32 0.93 -2.27 0.00 0.00 179.45 178.24 1yww h GLU 19 N 0.70 0.00 0.14 1.90 4.39 -1.16 0.38 114.58 120.94 1yww h GLU 19 Ca 0.26 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 1yww h GLU 19 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1yww h GLU 19 CO -0.13 0.32 -0.07 -0.09 -1.16 0.00 0.00 179.01 177.88 1yww h ARG 20 N 0.00 -0.18 0.00 2.33 2.43 -0.84 -3.36 114.38 114.76 1yww h ARG 20 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1yww h ARG 20 Cb 0.63 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1yww h ARG 20 CO 0.04 0.27 -1.53 0.91 -1.51 0.00 0.00 179.97 178.15 1yww n TRP 21 N -4.91 0.15 0.00 2.20 8.01 -1.05 -4.98 117.44 116.86 1yww n TRP 21 Ca -0.08 0.04 0.00 0.00 -1.31 0.00 0.00 57.50 56.15 1yww n TRP 21 Cb 0.27 -0.45 0.00 0.00 -2.01 0.00 0.00 31.31 29.13 1yww n TRP 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1yww n GLY 22 N 1.32 1.52 0.19 6.99 0.00 0.13 -4.47 105.19 110.87 1yww n GLY 22 Ca -0.01 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.13 1yww n GLY 22 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1yww h ASP 23 N 0.00 0.00 -2.74 1.61 3.58 -1.94 -3.43 116.42 113.50 1yww h ASP 23 Ca 0.00 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.90 1yww h ASP 23 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1yww h ASP 23 CO 0.00 0.00 0.99 -0.76 -2.88 0.00 0.00 179.24 176.59 1yww s LEU 24 N -5.49 4.29 0.64 2.28 1.43 -1.26 -5.00 118.68 115.57 1yww s LEU 24 Ca 0.06 2.09 -0.04 0.00 -1.03 0.00 0.00 54.13 55.21 1yww s LEU 24 Cb 0.09 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.81 1yww s LEU 24 CO 0.57 -0.85 0.92 0.42 0.23 0.00 0.00 176.35 177.65 1yww s THR 25 N 3.53 2.52 0.37 5.49 -4.23 -1.26 -4.69 115.64 117.38 1yww s THR 25 Ca 0.67 -0.38 0.15 0.00 -1.18 0.00 0.00 61.69 60.95 1yww s THR 25 Cb -0.30 -3.04 0.13 0.00 1.34 0.00 0.00 72.50 70.62 1yww s THR 25 CO 0.25 -0.04 1.87 0.44 -0.54 0.00 0.00 174.62 176.60 1yww h ASP 26 N -0.34 0.00 0.58 3.99 5.19 -1.95 -2.55 116.42 121.33 1yww h ASP 26 Ca -0.44 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 55.69 1yww h ASP 26 Cb 1.30 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.80 1yww h ASP 26 CO 0.58 0.32 -1.45 0.44 -3.12 0.00 0.00 179.24 176.01 1yww h ASP 27 N 0.00 0.24 0.53 6.45 5.19 -1.97 -3.30 116.42 123.56 1yww h ASP 27 Ca -0.00 -0.33 -0.07 0.00 -0.62 0.00 0.00 57.03 56.00 1yww h ASP 27 Cb 0.60 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.02 1yww h ASP 27 CO 0.04 1.28 -0.34 -0.78 -3.12 0.00 0.00 179.24 176.32 1yww h ASP 28 N 0.04 0.00 -0.44 6.45 3.58 -1.90 -2.52 116.42 121.64 1yww h ASP 28 Ca -0.20 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.14 1yww h ASP 28 Cb 1.96 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.95 1yww h ASP 28 CO 0.14 0.34 0.14 0.18 -2.88 0.00 0.00 179.24 177.16 1yww n LEU 29 N -3.82 4.37 -4.62 2.28 4.77 -0.98 -4.88 117.00 114.13 1yww n LEU 29 Ca -0.01 -2.25 -0.28 0.00 -0.03 0.00 0.00 56.01 53.43 1yww n LEU 29 Cb 0.42 -0.65 -0.09 0.00 -2.33 0.00 0.00 43.42 40.78 1yww n LEU 29 CO 0.37 0.60 -0.38 -1.10 -1.33 0.00 0.00 177.39 175.55 1yww s GLN 30 N -2.05 2.25 -0.15 3.23 -1.52 -0.95 -4.84 119.66 115.63 1yww s GLN 30 Ca 0.34 -1.07 -0.05 0.00 -1.95 0.00 0.00 55.36 52.62 1yww s GLN 30 Cb 0.27 -2.32 0.02 0.00 -0.22 0.00 0.00 33.01 30.75 1yww s GLN 30 CO 0.09 0.48 0.11 0.00 -0.25 0.00 0.00 175.29 175.71 1yww n ALA 31 N 0.30 -3.43 -3.81 6.09 0.00 -1.26 -5.06 120.51 113.34 1yww n ALA 31 Ca -0.11 1.15 0.01 0.00 0.00 0.00 0.00 53.44 54.48 1yww n ALA 31 Cb 0.54 -2.24 0.01 0.00 0.00 0.00 0.00 19.45 17.75 1yww n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yww s ALA 32 N -0.68 -2.18 -0.06 0.00 0.00 -1.26 -5.03 121.76 112.55 1yww s ALA 32 Ca -0.12 0.24 -0.26 0.00 0.00 0.00 0.00 51.96 51.82 1yww s ALA 32 Cb 0.01 0.65 -0.21 0.00 0.00 0.00 0.00 23.12 23.56 1yww s ALA 32 CO 0.53 -1.09 1.05 -0.44 0.00 0.00 0.00 175.76 175.80 1yww h ASP 33 N 2.00 -0.03 0.00 0.00 5.19 -1.99 -3.49 116.42 118.11 1yww h ASP 33 Ca -0.26 -0.62 0.00 0.00 -0.62 0.00 0.00 57.03 55.53 1yww h ASP 33 Cb 1.20 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1yww h ASP 33 CO 0.31 0.62 0.00 0.61 -3.12 0.00 0.00 179.24 177.66 1yww n GLY 34 N 0.71 1.35 3.72 2.75 0.00 -1.26 -4.50 105.19 107.96 1yww n GLY 34 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1yww n GLY 34 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1yww n HIS 35 N 0.00 2.43 -0.36 1.61 1.44 -1.26 -3.33 115.22 115.75 1yww n HIS 35 Ca 0.00 0.50 0.27 0.00 -2.01 0.00 0.00 57.72 56.48 1yww n HIS 35 Cb 0.00 -2.43 0.52 0.00 0.12 0.00 0.00 29.99 28.20 1yww n HIS 35 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1yww h ALA 36 N 2.48 2.20 -0.02 1.59 0.00 -1.96 0.20 119.26 123.75 1yww h ALA 36 Ca -0.48 0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.58 1yww h ALA 36 Cb 1.28 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1yww h ALA 36 CO 0.62 -0.77 0.03 0.93 0.00 0.00 0.00 179.25 180.06 1yww h GLU 37 N 0.29 0.00 -0.04 0.00 3.07 -1.99 -0.24 114.58 115.66 1yww h GLU 37 Ca 0.73 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 59.39 1yww h GLU 37 Cb 1.85 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.75 1yww h GLU 37 CO -0.50 0.00 -0.81 -0.92 -1.40 0.00 0.00 179.01 175.39 1yww h TYR 38 N 0.00 0.46 -0.52 4.33 5.03 -0.93 -2.81 116.97 122.54 1yww h TYR 38 Ca 0.01 -0.23 -0.09 0.00 2.58 0.00 0.00 58.73 61.01 1yww h TYR 38 Cb 0.06 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.26 1yww h TYR 38 CO 0.00 1.00 -0.02 -0.07 -1.32 0.00 0.00 178.16 177.75 1yww h LEU 39 N 0.21 0.86 -0.45 2.82 4.07 -1.13 -1.60 115.31 120.08 1yww h LEU 39 Ca -0.04 -0.23 0.05 0.00 0.08 0.00 0.00 57.88 57.73 1yww h LEU 39 Cb 1.40 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 42.87 1yww h LEU 39 CO 0.13 0.94 0.20 0.58 -1.08 0.00 0.00 178.44 179.21 1yww h VAL 40 N 0.82 0.92 -0.38 1.22 2.07 -1.28 0.24 116.25 119.86 1yww h VAL 40 Ca 0.15 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.54 1yww h VAL 40 Cb 0.52 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1yww h VAL 40 CO 0.03 0.07 0.24 1.23 0.02 0.00 0.00 177.57 179.16 1yww h GLY 41 N 0.40 0.53 1.00 2.17 0.00 -1.22 -1.25 103.07 104.71 1yww h GLY 41 Ca 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1yww h GLY 41 CO -0.17 0.19 0.42 0.50 0.00 0.00 0.00 176.54 177.48 1yww h LYS 42 N 0.50 0.87 -0.18 4.80 1.79 -0.69 -0.98 116.57 122.68 1yww h LYS 42 Ca 0.14 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.49 1yww h LYS 42 Cb -0.05 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.40 1yww h LYS 42 CO -0.04 0.59 -0.14 -0.07 -1.08 0.00 0.00 179.45 178.72 1yww h LEU 43 N 0.89 0.28 -0.29 2.94 3.38 -0.24 0.30 115.31 122.57 1yww h LEU 43 Ca 0.24 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.94 1yww h LEU 43 Cb -0.08 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1yww h LEU 43 CO -0.05 0.45 -0.74 1.56 0.09 0.00 0.00 178.44 179.75 1yww h GLN 44 N 0.28 0.61 -0.03 1.13 1.08 -0.68 0.17 115.11 117.66 1yww h GLN 44 Ca 0.05 -0.49 -0.20 0.00 -1.45 0.00 0.00 58.65 56.56 1yww h GLN 44 Cb 0.42 0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1yww h GLN 44 CO 0.03 1.11 -0.84 0.93 -0.95 0.00 0.00 178.83 179.10 1yww h GLU 45 N 0.42 0.39 0.11 1.46 5.08 -0.74 -2.88 114.58 118.42 1yww h GLU 45 Ca -0.04 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1yww h GLU 45 Cb 1.34 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1yww h GLU 45 CO 0.14 1.03 -0.05 -0.09 -1.00 0.00 0.00 179.01 179.04 1yww h ARG 46 N 0.24 -0.14 0.00 2.33 9.65 -0.41 -3.45 114.38 122.60 1yww h ARG 46 Ca -0.05 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1yww h ARG 46 Cb 1.45 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 30.06 1yww h ARG 46 CO 0.14 0.28 -0.02 0.66 2.80 0.00 0.00 179.97 183.83 1yww n TYR 47 N -4.84 0.00 0.00 2.20 4.02 0.47 -5.08 117.16 113.93 1yww n TYR 47 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 1yww n TYR 47 Cb 0.24 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 1yww n TYR 47 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1yww n GLY 48 N 2.44 0.58 2.71 2.72 0.00 -0.37 -4.94 105.19 108.34 1yww n GLY 48 Ca -0.00 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 1yww n GLY 48 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1yww n TRP 49 N 0.00 -0.10 -1.74 1.61 8.01 -1.26 -5.03 117.44 118.93 1yww n TRP 49 Ca 0.00 -1.75 -0.42 0.00 -1.31 0.00 0.00 57.50 54.02 1yww n TRP 49 Cb 0.00 -0.29 -0.01 0.00 -2.01 0.00 0.00 31.31 29.00 1yww n TRP 49 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1yww n SER 50 N -1.60 3.50 -0.37 -0.99 2.88 -1.26 -4.83 113.62 110.96 1yww n SER 50 Ca -0.08 1.19 -0.01 0.00 -1.33 0.00 0.00 58.87 58.64 1yww n SER 50 Cb 0.46 -1.57 0.12 0.00 -0.75 0.00 0.00 64.21 62.47 1yww n SER 50 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1yww h LYS 51 N 3.54 1.26 -0.20 -1.46 3.64 -1.98 0.29 116.57 121.65 1yww h LYS 51 Ca -0.48 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 58.84 1yww h LYS 51 Cb 1.25 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 1yww h LYS 51 CO 0.69 0.83 0.10 0.93 -2.27 0.00 0.00 179.45 179.73 1yww h GLU 52 N 1.29 0.20 -0.78 1.90 4.39 -1.99 0.43 114.58 120.03 1yww h GLU 52 Ca 0.37 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.08 1yww h GLU 52 Cb -0.09 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.47 1yww h GLU 52 CO -0.10 0.14 0.50 -0.09 -1.16 0.00 0.00 179.01 178.30 1yww h ARG 53 N 0.21 0.97 -0.26 2.33 2.43 -1.64 0.49 114.38 118.91 1yww h ARG 53 Ca 0.08 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1yww h ARG 53 Cb 0.02 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 1yww h ARG 53 CO -0.05 0.65 0.12 0.00 -1.51 0.00 0.00 179.97 179.17 1yww h ALA 54 N 1.31 0.33 -0.14 2.80 0.00 -0.11 -1.04 119.26 122.41 1yww h ALA 54 Ca 0.30 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1yww h ALA 54 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1yww h ALA 54 CO -0.09 -0.09 0.05 0.93 0.00 0.00 0.00 179.25 180.05 1yww h GLU 55 N 0.28 0.12 -0.39 0.00 5.08 -0.48 -2.43 114.58 116.77 1yww h GLU 55 Ca 0.09 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1yww h GLU 55 Cb 0.14 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1yww h GLU 55 CO -0.01 0.08 0.26 1.96 -1.00 0.00 0.00 179.01 180.30 1yww h GLN 56 N 0.13 0.52 -0.87 2.33 1.08 -0.76 0.33 115.11 117.87 1yww h GLN 56 Ca 0.06 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1yww h GLN 56 Cb 0.03 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.30 1yww h GLN 56 CO -0.05 0.35 0.49 0.93 -0.95 0.00 0.00 178.83 179.60 1yww h GLU 57 N 0.53 1.21 0.05 1.46 4.39 -0.75 -0.96 114.58 120.52 1yww h GLU 57 Ca 0.14 -0.13 -0.24 0.00 0.34 0.00 0.00 59.36 59.47 1yww h GLU 57 Cb -0.06 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.35 1yww h GLU 57 CO -0.03 0.88 -1.05 0.28 -1.16 0.00 0.00 179.01 177.92 1yww h VAL 58 N 1.22 1.44 -0.56 3.13 2.07 -0.63 -3.13 116.25 119.78 1yww h VAL 58 Ca 0.31 -2.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.14 1yww h VAL 58 Cb 0.01 2.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 1yww h VAL 58 CO -0.05 0.79 0.29 0.03 0.02 0.00 0.00 177.57 178.65 1yww h ARG 59 N 0.17 0.79 -0.50 1.57 2.47 -0.15 0.95 114.38 119.68 1yww h ARG 59 Ca -0.10 -0.10 0.04 0.00 -1.26 0.00 0.00 59.98 58.56 1yww h ARG 59 Cb 1.72 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 29.85 1yww h ARG 59 CO 0.18 0.62 0.26 0.22 0.56 0.00 0.00 179.97 181.81 1yww h ASP 60 N 0.75 0.39 0.05 7.04 1.82 -1.25 0.14 116.42 125.36 1yww h ASP 60 Ca 0.19 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.85 1yww h ASP 60 Cb 0.08 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.03 1yww h ASP 60 CO -0.03 0.27 -0.02 0.15 -1.61 0.00 0.00 179.24 178.00 1yww h PHE 61 N 0.51 -0.06 0.00 0.28 3.57 -1.39 -2.91 116.94 116.94 1yww h PHE 61 Ca 0.21 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 1yww h PHE 61 Cb 0.10 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1yww h PHE 61 CO -0.09 0.07 -0.24 0.77 -2.23 0.00 0.00 178.31 176.58 1yww h SER 62 N -0.17 0.00 0.27 0.41 0.02 -0.54 -2.35 113.55 111.18 1yww h SER 62 Ca -0.01 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 1yww h SER 62 Cb 0.15 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1yww h SER 62 CO 0.01 0.24 -0.41 -0.78 -1.14 0.00 0.00 176.83 174.75 1yww h ASP 63 N 0.00 0.20 -0.51 3.07 3.58 -0.54 -2.88 116.42 119.35 1yww h ASP 63 Ca -0.00 -0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.28 1yww h ASP 63 Cb 0.49 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.43 1yww h ASP 63 CO 0.03 0.60 0.11 -1.14 -2.88 0.00 0.00 179.24 175.96 1yww n ARG 64 N -4.03 3.50 0.00 0.28 0.63 -0.89 -5.10 116.66 111.05 1yww n ARG 64 Ca -0.02 -2.35 0.10 0.00 -0.92 0.00 0.00 57.85 54.66 1yww n ARG 64 Cb 0.47 -2.04 0.09 0.00 0.45 0.00 0.00 32.46 31.43 1yww n ARG 64 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40