#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yww h ASN 2 N 0.00 -0.20 0.83 7.83 -0.73 -2.05 -1.82 115.58 119.45 1yww h ASN 2 Ca 0.00 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1yww h ASN 2 Cb 0.00 0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.65 1yww h ASN 2 CO 0.00 -0.13 0.00 -1.20 -0.37 0.00 0.00 177.43 175.73 1yww n SER 3 N -5.19 0.61 -1.90 1.15 7.64 -1.26 -2.36 113.62 112.32 1yww n SER 3 Ca -0.08 0.63 -0.06 0.00 1.01 0.00 0.00 58.87 60.37 1yww n SER 3 Cb 0.12 -0.77 0.29 0.00 -1.01 0.00 0.00 64.21 62.84 1yww n SER 3 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1yww n ASP 4 N -2.16 4.59 0.46 6.43 9.92 -0.70 -4.58 116.55 130.51 1yww n ASP 4 Ca 0.03 -3.27 -0.19 0.00 -0.53 0.00 0.00 54.79 50.82 1yww n ASP 4 Cb 0.26 -0.73 -0.09 0.00 -0.64 0.00 0.00 41.12 39.91 1yww n ASP 4 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 1yww h VAL 5 N 2.42 0.11 0.00 2.53 3.04 -1.28 -0.70 116.25 122.37 1yww h VAL 5 Ca 0.27 -0.05 -0.24 0.00 -1.01 0.00 0.00 66.70 65.66 1yww h VAL 5 Cb 2.28 0.12 -0.04 0.00 -2.01 0.00 0.00 31.29 31.63 1yww h VAL 5 CO 0.71 0.00 -1.70 -0.38 -1.01 0.00 0.00 177.57 175.20 1yww n ILE 6 N -5.58 1.35 -0.24 3.17 5.41 -1.26 -4.07 119.36 118.15 1yww n ILE 6 Ca -0.15 -0.75 0.07 0.00 1.00 0.00 0.00 62.75 62.92 1yww n ILE 6 Cb 0.47 -0.80 0.33 0.00 -0.71 0.00 0.00 39.64 38.93 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 0.78 -6.43 0.38 3.64 -1.69 -3.29 116.57 109.95 1yww h LYS 7 Ca -0.26 -0.05 -0.68 0.00 -1.27 0.00 0.00 60.65 58.39 1yww h LYS 7 Cb 1.84 -0.18 -0.20 0.00 -0.41 0.00 0.00 32.23 33.28 1yww h LYS 7 CO 0.06 0.52 -0.76 0.20 -2.27 0.00 0.00 179.45 177.19 1yww s GLY 8 N -3.56 1.65 -0.03 5.01 0.00 -0.27 -4.49 107.32 105.63 1yww s GLY 8 Ca -0.10 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.51 1yww s GLY 8 CO 0.78 -0.98 0.00 0.28 0.00 0.00 0.00 173.10 173.19 1yww n LYS 9 N 1.60 -0.04 -0.28 2.90 5.02 -1.26 -4.67 118.16 121.42 1yww n LYS 9 Ca -0.16 0.30 0.08 0.00 -2.02 0.00 0.00 58.31 56.51 1yww n LYS 9 Cb 0.52 -3.60 0.23 0.00 -0.02 0.00 0.00 35.03 32.16 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 0.64 0.00 2.13 2.91 -1.78 0.25 115.95 120.10 1yww h TRP 10 Ca -0.01 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.05 1yww h TRP 10 Cb 0.03 -0.16 -0.00 0.00 -0.51 0.00 0.00 29.16 28.52 1yww h TRP 10 CO 0.01 0.08 -0.03 0.87 -1.03 0.00 0.00 178.44 178.35 1yww h LYS 11 N 0.50 0.00 0.00 2.65 6.56 -1.91 -2.21 116.57 122.17 1yww h LYS 11 Ca 0.47 0.00 -0.30 0.00 -1.06 0.00 0.00 60.65 59.76 1yww h LYS 11 Cb 0.75 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.35 1yww h LYS 11 CO -0.42 0.03 -1.80 1.04 -2.06 0.00 0.00 179.45 176.24 1yww n GLN 12 N -3.12 0.64 0.00 3.15 1.13 0.16 -3.96 117.38 115.38 1yww n GLN 12 Ca 0.01 0.26 0.14 0.00 -1.94 0.00 0.00 57.00 55.47 1yww n GLN 12 Cb 0.36 -1.76 0.60 0.00 0.11 0.00 0.00 30.24 29.55 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 -3.03 0.09 -0.17 1.08 4.77 0.65 -4.21 117.00 116.19 1yww n LEU 13 Ca -0.19 0.37 -0.07 0.00 -0.03 0.00 0.00 56.01 56.09 1yww n LEU 13 Cb 1.06 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.72 1yww n LEU 13 CO 0.45 0.02 0.61 0.71 -1.33 0.00 0.00 177.39 177.85 1yww h THR 14 N 0.04 0.16 -0.11 -5.08 1.35 -1.53 0.25 112.91 107.99 1yww h THR 14 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 1yww h THR 14 Cb 0.46 0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.03 1yww h THR 14 CO 0.00 0.00 0.02 1.23 -0.25 0.00 0.00 175.52 176.52 1yww h GLY 15 N -0.23 0.16 1.14 5.82 0.00 -1.86 0.12 103.07 108.23 1yww h GLY 15 Ca 0.19 -0.07 -0.34 0.00 0.00 0.00 0.00 47.33 47.11 1yww h GLY 15 CO -0.63 0.07 -1.59 1.70 0.00 0.00 0.00 176.54 176.09 1yww h LYS 16 N 0.15 0.42 -0.09 4.80 3.64 -1.37 -2.64 116.57 121.49 1yww h LYS 16 Ca 0.04 -0.72 -0.00 0.00 -1.27 0.00 0.00 60.65 58.70 1yww h LYS 16 Cb 0.08 0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1yww h LYS 16 CO -0.00 1.33 0.04 0.82 -2.27 0.00 0.00 179.45 179.37 1yww h ILE 17 N 0.11 1.13 -0.32 2.00 2.04 -0.27 -2.56 117.51 119.65 1yww h ILE 17 Ca -0.28 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 65.24 1yww h ILE 17 Cb 2.11 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 39.37 1yww h ILE 17 CO 0.21 0.12 -0.08 0.50 0.00 0.00 0.00 178.15 178.90 1yww h LYS 18 N -0.01 -0.01 -0.00 2.37 3.64 -0.85 -2.81 116.57 118.90 1yww h LYS 18 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1yww h LYS 18 Cb 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1yww h LYS 18 CO -0.00 -0.01 -0.13 -1.91 -2.27 0.00 0.00 179.45 175.13 1yww n GLU 19 N -5.27 0.54 0.03 1.90 4.07 -0.99 -0.86 120.64 120.06 1yww n GLU 19 Ca 0.00 -0.18 -0.09 0.00 -0.06 0.00 0.00 57.16 56.83 1yww n GLU 19 Cb 0.18 -1.50 -0.07 0.00 -0.06 0.00 0.00 31.44 30.00 1yww n GLU 19 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 1yww h ARG 20 N 0.44 -0.18 0.14 5.31 2.43 -1.18 -3.36 114.38 117.98 1yww h ARG 20 Ca 0.00 0.01 -0.30 0.00 -0.81 0.00 0.00 59.98 58.88 1yww h ARG 20 Cb 0.39 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1yww h ARG 20 CO 0.00 0.24 -1.44 -1.49 -1.51 0.00 0.00 179.97 175.77 1yww h TRP 21 N -0.92 0.54 0.00 2.20 6.55 -1.61 -3.48 115.95 119.23 1yww h TRP 21 Ca -0.02 -0.39 0.00 0.00 0.95 0.00 0.00 58.89 59.43 1yww h TRP 21 Cb 0.50 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.78 1yww h TRP 21 CO 0.09 1.38 0.00 0.41 -1.05 0.00 0.00 178.44 179.27 1yww n GLY 22 N 1.63 2.71 0.10 1.49 0.00 -0.04 -4.75 105.19 106.34 1yww n GLY 22 Ca -0.14 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 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 0.31 -2.48 1.61 3.58 -1.93 -3.46 116.42 114.05 1yww h ASP 23 Ca 0.00 -0.44 -0.55 0.00 0.42 0.00 0.00 57.03 56.46 1yww h ASP 23 Cb 0.00 -0.10 0.06 0.00 1.72 0.00 0.00 39.33 41.01 1yww h ASP 23 CO 0.00 1.37 0.91 0.18 -2.88 0.00 0.00 179.24 178.81 1yww n LEU 24 N -3.40 3.57 -4.95 2.28 4.77 -1.26 -4.99 117.00 113.01 1yww n LEU 24 Ca -0.15 1.07 -0.23 0.00 -0.03 0.00 0.00 56.01 56.68 1yww n LEU 24 Cb 1.03 -1.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.60 1yww n LEU 24 CO 0.49 -0.04 0.08 0.42 -1.33 0.00 0.00 177.39 177.01 1yww s THR 25 N 1.03 5.16 -0.94 -5.08 -4.23 -1.26 -4.72 115.64 105.60 1yww s THR 25 Ca 0.77 -0.69 0.17 0.00 -1.18 0.00 0.00 61.69 60.76 1yww s THR 25 Cb -0.59 -3.86 0.15 0.00 1.34 0.00 0.00 72.50 69.55 1yww s THR 25 CO 0.35 -0.46 1.55 -0.90 -0.54 0.00 0.00 174.62 174.62 1yww n ASP 26 N -1.63 0.09 -0.00 3.99 5.75 -1.26 -2.07 116.55 121.41 1yww n ASP 26 Ca -0.07 0.52 -0.18 0.00 -0.01 0.00 0.00 54.79 55.05 1yww n ASP 26 Cb 0.57 -0.54 -0.09 0.00 -1.03 0.00 0.00 41.12 40.03 1yww n ASP 26 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1yww h ASP 27 N 0.00 0.84 0.28 -1.12 3.58 -1.97 -2.90 116.42 115.14 1yww h ASP 27 Ca 0.00 -0.68 -0.08 0.00 0.42 0.00 0.00 57.03 56.70 1yww h ASP 27 Cb 0.30 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1yww h ASP 27 CO 0.00 1.39 -0.33 0.44 -2.88 0.00 0.00 179.24 177.86 1yww h ASP 28 N 0.36 0.07 -0.37 2.28 3.32 -1.81 -2.97 116.42 117.30 1yww h ASP 28 Ca -0.07 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1yww h ASP 28 Cb 1.44 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1yww h ASP 28 CO 0.16 0.40 0.00 0.18 -1.72 0.00 0.00 179.24 178.26 1yww n LEU 29 N -4.13 2.29 -0.17 1.55 4.77 -1.08 -3.23 117.00 117.01 1yww n LEU 29 Ca -0.02 -1.09 0.06 0.00 -0.03 0.00 0.00 56.01 54.94 1yww n LEU 29 Cb 0.39 -0.24 0.09 0.00 -2.33 0.00 0.00 43.42 41.32 1yww n LEU 29 CO 0.39 0.54 0.48 0.00 -1.33 0.00 0.00 177.39 177.47 1yww n GLN 30 N 0.74 1.08 -0.07 3.23 10.64 -1.10 -4.84 117.38 127.06 1yww n GLN 30 Ca 0.16 -2.03 -0.04 0.00 -1.83 0.00 0.00 57.00 53.25 1yww n GLN 30 Cb 0.39 -1.18 -0.01 0.00 -0.86 0.00 0.00 30.24 28.57 1yww n GLN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1yww h ALA 31 N 0.00 0.00 -3.00 2.61 0.00 -1.57 -3.51 119.26 113.79 1yww h ALA 31 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1yww h ALA 31 Cb 1.05 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1yww h ALA 31 CO 0.00 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1yww n ALA 32 N -3.55 0.00 -0.78 0.00 0.00 -1.26 -5.08 120.51 109.84 1yww n ALA 32 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1yww n ALA 32 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1yww n ALA 32 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1yww n ASP 33 N 0.00 0.00 0.00 0.00 -0.08 -1.26 -4.97 116.55 110.25 1yww n ASP 33 Ca 0.00 0.61 0.00 0.00 -1.51 0.00 0.00 54.79 53.89 1yww n ASP 33 Cb 0.00 -0.11 0.00 0.00 2.34 0.00 0.00 41.12 43.35 1yww n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1yww n GLY 34 N -0.79 0.87 3.61 0.27 0.00 -1.26 -5.01 105.19 102.88 1yww n GLY 34 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 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 1.64 -0.20 1.61 1.44 -1.26 -3.99 115.22 114.45 1yww n HIS 35 Ca 0.00 0.57 0.21 0.00 -2.01 0.00 0.00 57.72 56.49 1yww n HIS 35 Cb 0.00 -2.36 0.57 0.00 0.12 0.00 0.00 29.99 28.32 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 4.29 2.36 -0.96 1.59 0.00 -1.94 0.21 119.26 124.81 1yww h ALA 36 Ca -0.45 0.00 0.23 0.00 0.00 0.00 0.00 54.91 54.70 1yww h ALA 36 Cb 1.32 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 1yww h ALA 36 CO 0.76 -0.62 0.64 1.49 0.00 0.00 0.00 179.25 181.52 1yww h GLU 37 N 0.29 0.33 -0.30 0.00 4.81 -2.00 -1.15 114.58 116.55 1yww h GLU 37 Ca 0.44 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.53 1yww h GLU 37 Cb 1.25 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1yww h GLU 37 CO -0.12 0.22 -0.28 -0.92 -0.73 0.00 0.00 179.01 177.17 1yww h TYR 38 N 0.34 0.87 0.00 0.92 3.20 -0.91 -2.83 116.97 118.56 1yww h TYR 38 Ca 0.51 -0.26 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 1yww h TYR 38 Cb 1.38 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.47 1yww h TYR 38 CO -0.00 1.01 -0.12 1.37 -1.64 0.00 0.00 178.16 178.78 1yww h LEU 39 N 0.48 0.00 -0.36 2.82 8.10 -1.33 -1.45 115.31 123.57 1yww h LEU 39 Ca 0.05 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.04 1yww h LEU 39 Cb 0.85 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.06 1yww h LEU 39 CO 0.07 0.12 0.23 0.58 -4.11 0.00 0.00 178.44 175.32 1yww h VAL 40 N 0.00 1.11 -0.45 0.15 2.07 -1.14 0.56 116.25 118.55 1yww h VAL 40 Ca -0.00 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1yww h VAL 40 Cb 0.63 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1yww h VAL 40 CO 0.01 0.11 0.11 1.23 0.02 0.00 0.00 177.57 179.06 1yww h GLY 41 N 0.48 0.72 1.50 2.17 0.00 -1.14 -1.73 103.07 105.08 1yww h GLY 41 Ca 0.13 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 1yww h GLY 41 CO -0.03 0.37 0.01 0.50 0.00 0.00 0.00 176.54 177.39 1yww h LYS 42 N 0.66 0.62 -0.31 4.80 1.79 -0.77 0.12 116.57 123.47 1yww h LYS 42 Ca 0.15 -0.14 -0.10 0.00 -2.18 0.00 0.00 60.65 58.38 1yww h LYS 42 Cb 0.24 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 1yww h LYS 42 CO -0.00 0.63 -0.21 -0.07 -1.08 0.00 0.00 179.45 178.72 1yww h LEU 43 N 0.59 0.57 -0.77 2.94 3.38 -0.15 0.14 115.31 122.02 1yww h LEU 43 Ca 0.12 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1yww h LEU 43 Cb 0.36 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1yww h LEU 43 CO 0.01 0.79 -0.59 1.56 0.09 0.00 0.00 178.44 180.30 1yww h GLN 44 N 0.51 0.08 0.36 1.13 4.20 -0.66 0.07 115.11 120.80 1yww h GLN 44 Ca 0.08 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1yww h GLN 44 Cb 0.65 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1yww h GLN 44 CO 0.05 0.65 -0.17 1.49 -0.67 0.00 0.00 178.83 180.17 1yww h GLU 45 N 0.06 -0.46 -0.20 1.46 4.81 -0.26 -2.49 114.58 117.50 1yww h GLU 45 Ca -0.01 0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 1yww h GLU 45 Cb 1.06 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1yww h GLU 45 CO 0.08 -0.26 -0.21 0.00 -0.73 0.00 0.00 179.01 177.89 1yww h ARG 46 N -1.10 0.50 0.00 1.92 2.47 -0.83 -3.40 114.38 113.94 1yww h ARG 46 Ca -0.05 -0.27 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 1yww h ARG 46 Cb 0.42 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 1yww h ARG 46 CO 0.08 0.85 -0.75 0.66 0.56 0.00 0.00 179.97 181.37 1yww n TYR 47 N -4.43 0.00 0.00 3.04 4.02 -0.51 -5.08 117.16 114.20 1yww n TYR 47 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 1yww n TYR 47 Cb 0.41 -0.38 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 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 1.68 0.64 3.96 2.72 0.00 -0.11 -4.97 105.19 109.11 1yww n GLY 48 Ca -0.11 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 1yww n GLY 48 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1yww s TRP 49 N -0.86 2.93 0.66 1.61 0.51 -1.25 -4.97 118.94 117.56 1yww s TRP 49 Ca 0.00 0.12 -0.12 0.00 -2.12 0.00 0.00 56.10 53.98 1yww s TRP 49 Cb 0.00 -2.77 -0.01 0.00 -0.81 0.00 0.00 33.47 29.89 1yww s TRP 49 CO 0.00 -0.89 1.06 -1.12 -0.51 0.00 0.00 176.95 175.49 1yww s SER 50 N -4.41 5.50 0.16 2.95 0.01 -1.26 -4.74 113.70 111.92 1yww s SER 50 Ca 0.56 1.69 -0.15 0.00 1.31 0.00 0.00 55.95 59.36 1yww s SER 50 Cb -0.10 -2.51 0.06 0.00 0.21 0.00 0.00 66.02 63.67 1yww s SER 50 CO 0.40 -1.36 1.81 0.50 0.41 0.00 0.00 173.24 174.99 1yww h LYS 51 N -0.33 0.54 -0.15 12.44 1.63 -1.98 -0.46 116.57 128.26 1yww h LYS 51 Ca -0.45 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.28 1yww h LYS 51 Cb 1.21 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.71 1yww h LYS 51 CO 0.57 0.36 -0.07 1.05 -3.45 0.00 0.00 179.45 177.90 1yww h GLU 52 N 0.55 0.22 -0.03 1.90 4.11 -1.99 -0.76 114.58 118.58 1yww h GLU 52 Ca 0.18 -0.04 -0.15 0.00 0.07 0.00 0.00 59.36 59.42 1yww h GLU 52 Cb -0.01 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.22 1yww h GLU 52 CO -0.07 0.30 -0.56 -0.09 0.07 0.00 0.00 179.01 178.66 1yww h ARG 53 N 0.21 0.43 -0.54 1.06 2.43 -1.71 -2.29 114.38 113.97 1yww h ARG 53 Ca 0.05 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1yww h ARG 53 Cb 0.27 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1yww h ARG 53 CO 0.01 1.08 0.35 0.00 -1.51 0.00 0.00 179.97 179.90 1yww h ALA 54 N 0.36 0.69 -0.85 2.80 0.00 -0.73 -1.00 119.26 120.53 1yww h ALA 54 Ca -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1yww h ALA 54 Cb 1.25 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1yww h ALA 54 CO 0.11 0.14 0.44 0.93 0.00 0.00 0.00 179.25 180.87 1yww h GLU 55 N 0.73 1.19 -0.71 0.00 5.08 -1.20 -1.31 114.58 118.38 1yww h GLU 55 Ca 0.20 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1yww h GLU 55 Cb -0.07 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 28.92 1yww h GLU 55 CO -0.04 0.89 0.41 0.37 -1.00 0.00 0.00 179.01 179.64 1yww h GLN 56 N 1.19 0.97 -0.52 2.33 4.15 -0.80 0.25 115.11 122.68 1yww h GLN 56 Ca 0.29 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 1yww h GLN 56 Cb 0.07 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.54 1yww h GLN 56 CO -0.04 0.71 0.31 0.93 -1.93 0.00 0.00 178.83 178.81 1yww h GLU 57 N 0.97 0.71 -0.49 1.69 4.39 -0.71 0.13 114.58 121.27 1yww h GLU 57 Ca 0.25 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.86 1yww h GLU 57 Cb 0.01 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 1yww h GLU 57 CO -0.04 0.52 0.20 0.28 -1.16 0.00 0.00 179.01 178.80 1yww h VAL 58 N 0.70 1.21 -0.63 3.13 2.07 -0.81 -1.94 116.25 119.99 1yww h VAL 58 Ca 0.19 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1yww h VAL 58 Cb -0.01 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1yww h VAL 58 CO -0.03 0.24 0.32 -0.09 0.02 0.00 0.00 177.57 178.03 1yww h ARG 59 N 0.65 0.89 -0.44 1.57 2.43 -0.15 0.21 114.38 119.54 1yww h ARG 59 Ca 0.16 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1yww h ARG 59 Cb 0.19 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1yww h ARG 59 CO -0.01 0.70 0.28 0.22 -1.51 0.00 0.00 179.97 179.64 1yww h ASP 60 N 0.86 0.46 -0.05 -3.80 3.58 -0.57 0.31 116.42 117.21 1yww h ASP 60 Ca 0.22 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.66 1yww h ASP 60 Cb 0.09 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.03 1yww h ASP 60 CO -0.03 0.33 0.02 0.15 -2.88 0.00 0.00 179.24 176.83 1yww h PHE 61 N 0.56 0.08 -0.26 0.28 3.57 -0.99 -2.58 116.94 117.59 1yww h PHE 61 Ca 0.17 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.57 1yww h PHE 61 Cb -0.02 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1yww h PHE 61 CO -0.06 0.23 -0.23 1.03 -2.23 0.00 0.00 178.31 177.05 1yww h SER 62 N -0.10 0.49 0.56 0.41 0.87 -0.31 -2.53 113.55 112.95 1yww h SER 62 Ca 0.02 -0.16 -0.11 0.00 -1.23 0.00 0.00 61.79 60.31 1yww h SER 62 Cb 0.19 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1yww h SER 62 CO -0.00 0.73 -0.51 -0.78 -0.53 0.00 0.00 176.83 175.73 1yww h ASP 63 N 0.44 0.00 -0.47 6.23 3.58 -0.35 -2.60 116.42 123.25 1yww h ASP 63 Ca 0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1yww h ASP 63 Cb 0.64 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.69 1yww h ASP 63 CO 0.05 0.51 0.00 0.54 -2.88 0.00 0.00 179.24 177.46 1yww n ARG 64 N -3.86 2.62 0.00 0.28 1.74 -0.98 -5.09 116.66 111.37 1yww n ARG 64 Ca -0.01 -1.91 0.15 0.00 -0.77 0.00 0.00 57.85 55.31 1yww n ARG 64 Cb 0.54 -1.58 0.74 0.00 -1.02 0.00 0.00 32.46 31.13 1yww n ARG 64 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39