#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9b s ARG 7 N 0.00 1.28 0.01 0.54 6.06 -1.26 -5.13 118.95 120.46 1y9b s ARG 7 Ca 0.00 -0.20 -0.22 0.00 -2.50 0.00 0.00 55.73 52.82 1y9b s ARG 7 Cb 0.00 -1.32 -0.05 0.00 0.06 0.00 0.00 34.95 33.64 1y9b s ARG 7 CO 0.00 -0.18 0.64 0.96 -2.50 0.00 0.00 175.30 174.22 1y9b s ILE 8 N 1.41 4.85 -0.17 4.11 -4.36 -1.26 -5.06 121.20 120.72 1y9b s ILE 8 Ca -0.02 1.35 -0.12 0.00 -0.26 0.00 0.00 60.65 61.60 1y9b s ILE 8 Cb -0.13 -3.98 0.05 0.00 1.25 0.00 0.00 42.46 39.65 1y9b s ILE 8 CO -0.04 0.41 0.42 0.28 0.24 0.00 0.00 174.94 176.25 1y9b s THR 9 N -0.20 -0.01 -0.14 8.37 -1.32 -1.26 -5.15 115.64 115.93 1y9b s THR 9 Ca 0.33 0.04 -0.14 0.00 -1.21 0.00 0.00 61.69 60.72 1y9b s THR 9 Cb -0.19 -0.61 0.04 0.00 -1.51 0.00 0.00 72.50 70.23 1y9b s THR 9 CO 0.19 0.02 0.39 0.00 -2.21 0.00 0.00 174.62 173.00 1y9b s ALA 10 N 0.81 -0.96 0.22 11.08 0.00 -1.26 -5.14 121.76 126.51 1y9b s ALA 10 Ca -0.05 1.09 -0.30 0.00 0.00 0.00 0.00 51.96 52.71 1y9b s ALA 10 Cb -0.06 -0.63 -0.09 0.00 0.00 0.00 0.00 23.12 22.34 1y9b s ALA 10 CO -0.06 -0.18 1.24 1.03 0.00 0.00 0.00 175.76 177.78 1y9b s ARG 11 N 0.20 4.46 0.05 0.00 0.52 -1.26 -5.07 118.95 117.84 1y9b s ARG 11 Ca -0.00 1.97 0.09 0.00 -0.52 0.00 0.00 55.73 57.27 1y9b s ARG 11 Cb -0.03 -3.20 -0.03 0.00 0.52 0.00 0.00 34.95 32.21 1y9b s ARG 11 CO 0.01 -0.12 -0.26 0.14 0.02 0.00 0.00 175.30 175.08 1y9b s VAL 12 N -0.24 2.18 0.61 3.52 -7.23 -1.26 -5.10 120.40 112.89 1y9b s VAL 12 Ca 0.53 -1.40 0.04 0.00 -1.81 0.00 0.00 61.98 59.34 1y9b s VAL 12 Cb -0.35 -1.86 0.11 0.00 0.56 0.00 0.00 36.38 34.85 1y9b s VAL 12 CO 0.39 0.35 0.85 -0.90 -0.31 0.00 0.00 175.10 175.48 1y9b n ASP 13 N 1.72 1.55 -0.10 4.85 5.75 -1.26 -4.89 116.55 124.17 1y9b n ASP 13 Ca -0.17 -2.21 -0.07 0.00 -0.01 0.00 0.00 54.79 52.33 1y9b n ASP 13 Cb 0.52 -0.51 0.01 0.00 -1.03 0.00 0.00 41.12 40.11 1y9b n ASP 13 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1y9b h VAL 14 N -0.30 0.91 -0.49 2.12 2.07 -2.01 -1.48 116.25 117.08 1y9b h VAL 14 Ca -0.28 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.08 1y9b h VAL 14 Cb 1.14 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1y9b h VAL 14 CO 0.34 0.05 0.02 0.44 0.02 0.00 0.00 177.57 178.44 1y9b h ASP 15 N 0.27 0.76 -0.02 0.57 3.32 -1.99 -1.90 116.42 117.43 1y9b h ASP 15 Ca 0.15 -0.17 -0.14 0.00 0.02 0.00 0.00 57.03 56.88 1y9b h ASP 15 Cb 0.12 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.48 1y9b h ASP 15 CO -0.15 0.81 -0.55 0.74 -1.72 0.00 0.00 179.24 178.37 1y9b h THR 16 N 0.75 1.42 -0.61 0.35 2.02 -1.89 -2.30 112.91 112.64 1y9b h THR 16 Ca 0.15 -2.01 0.09 0.00 0.77 0.00 0.00 66.41 65.42 1y9b h THR 16 Cb 0.42 2.52 -0.07 0.00 -1.74 0.00 0.00 68.15 69.28 1y9b h THR 16 CO 0.02 0.58 0.24 -0.61 0.37 0.00 0.00 175.52 176.12 1y9b h GLN 17 N -0.09 0.41 -0.60 6.66 4.15 -1.21 0.17 115.11 124.59 1y9b h GLN 17 Ca -0.06 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.36 1y9b h GLN 17 Cb 1.25 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.81 1y9b h GLN 17 CO 0.11 0.27 0.37 -0.44 -1.93 0.00 0.00 178.83 177.21 1y9b h ASP 18 N 0.42 0.60 -0.17 -0.69 3.32 -1.34 0.13 116.42 118.70 1y9b h ASP 18 Ca 0.31 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 1y9b h ASP 18 Cb 0.38 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1y9b h ASP 18 CO -0.30 0.42 0.02 0.25 -1.72 0.00 0.00 179.24 177.92 1y9b h LEU 19 N 0.73 0.27 -0.67 1.55 5.85 -0.87 -2.80 115.31 119.37 1y9b h LEU 19 Ca 0.24 -0.26 -0.14 0.00 0.84 0.00 0.00 57.88 58.55 1y9b h LEU 19 Cb 0.01 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1y9b h LEU 19 CO -0.10 0.46 -0.63 -0.07 -0.34 0.00 0.00 178.44 177.77 1y9b h LEU 20 N 0.06 0.18 -0.35 2.25 3.38 -0.37 -2.16 115.31 118.30 1y9b h LEU 20 Ca 0.05 -0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.73 1y9b h LEU 20 Cb 0.31 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1y9b h LEU 20 CO 0.00 0.76 -0.59 0.00 0.09 0.00 0.00 178.44 178.70 1y9b h ALA 21 N 1.24 0.52 -0.24 1.53 0.00 -1.03 0.80 119.26 122.09 1y9b h ALA 21 Ca -0.01 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 1y9b h ALA 21 Cb 1.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1y9b h ALA 21 CO 0.09 0.69 -0.11 -0.22 0.00 0.00 0.00 179.25 179.70 1y9b h LYS 22 N 0.57 0.50 -0.71 0.00 3.64 -1.44 -0.93 116.57 118.18 1y9b h LYS 22 Ca 0.00 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.13 1y9b h LYS 22 Cb 1.18 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 1y9b h LYS 22 CO 0.12 0.76 0.31 0.00 -2.27 0.00 0.00 179.45 178.37 1y9b h ALA 23 N 0.72 0.92 -0.66 5.00 0.00 -1.41 -1.89 119.26 121.94 1y9b h ALA 23 Ca 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1y9b h ALA 23 Cb 0.61 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1y9b h ALA 23 CO 0.03 0.52 0.23 0.00 0.00 0.00 0.00 179.25 180.04 1y9b h ALA 24 N 1.15 1.16 0.45 0.00 0.00 -0.73 0.56 119.26 121.85 1y9b h ALA 24 Ca 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1y9b h ALA 24 Cb 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1y9b h ALA 24 CO -0.02 0.59 -0.22 0.00 0.00 0.00 0.00 179.25 179.60 1y9b h ALA 25 N 1.29 -0.60 -0.99 0.00 0.00 -0.99 -2.64 119.26 115.32 1y9b h ALA 25 Ca 0.22 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1y9b h ALA 25 Cb 0.24 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1y9b h ALA 25 CO -0.01 -0.82 0.65 -0.07 0.00 0.00 0.00 179.25 179.00 1y9b h LEU 26 N -0.63 1.10 0.00 0.00 3.38 -1.24 -1.07 115.31 116.85 1y9b h LEU 26 Ca -0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1y9b h LEU 26 Cb 0.48 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1y9b h LEU 26 CO 0.10 0.77 0.00 0.00 0.09 0.00 0.00 178.44 179.40 1y9b n ALA 27 N -2.37 2.49 -2.26 1.53 0.00 0.18 -5.10 120.51 114.98 1y9b n ALA 27 Ca 0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 1y9b n ALA 27 Cb 0.07 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1y9b n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y9b n GLY 28 N 0.60 -0.97 0.00 0.00 0.00 -0.41 -5.03 105.19 99.38 1y9b n GLY 28 Ca 0.10 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1y9b n GLY 28 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y9b n SER 30 N -0.69 0.04 -4.11 1.61 3.41 -1.26 -5.02 113.62 107.60 1y9b n SER 30 Ca 0.05 -0.05 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 1y9b n SER 30 Cb 0.32 0.10 -0.11 0.00 -0.26 0.00 0.00 64.21 64.26 1y9b n SER 30 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1y9b s SER 31 N -0.11 1.13 0.17 4.04 1.04 -1.26 -5.03 113.70 113.69 1y9b s SER 31 Ca 0.00 -0.64 -0.14 0.00 0.48 0.00 0.00 55.95 55.65 1y9b s SER 31 Cb 0.00 0.02 0.13 0.00 0.10 0.00 0.00 66.02 66.27 1y9b s SER 31 CO 0.00 -0.21 1.75 0.40 0.98 0.00 0.00 173.24 176.16 1y9b h ILE 32 N 4.19 0.87 -0.67 -1.02 2.04 -1.96 -2.46 117.51 118.50 1y9b h ILE 32 Ca -0.37 -0.12 0.12 0.00 1.00 0.00 0.00 64.86 65.49 1y9b h ILE 32 Cb 1.19 0.49 -0.08 0.00 -0.74 0.00 0.00 36.82 37.68 1y9b h ILE 32 CO 0.44 0.06 0.24 0.78 0.00 0.00 0.00 178.15 179.68 1y9b h ASN 33 N 0.35 0.21 0.06 1.72 2.35 -1.97 0.10 115.58 118.40 1y9b h ASN 33 Ca 0.21 0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1y9b h ASN 33 Cb 0.20 0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1y9b h ASN 33 CO -0.21 0.10 -0.03 0.28 -1.65 0.00 0.00 177.43 175.92 1y9b h SER 34 N 0.40 -0.07 -0.50 5.81 0.02 -1.97 -1.83 113.55 115.41 1y9b h SER 34 Ca 0.36 -0.15 0.10 0.00 -0.84 0.00 0.00 61.79 61.26 1y9b h SER 34 Cb 0.50 0.02 -0.09 0.00 0.14 0.00 0.00 62.40 62.97 1y9b h SER 34 CO -0.36 0.11 -0.05 0.15 -1.14 0.00 0.00 176.83 175.54 1y9b h PHE 35 N -0.25 -0.12 0.18 3.45 3.57 -0.81 -2.49 116.94 120.48 1y9b h PHE 35 Ca -0.01 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1y9b h PHE 35 Cb 0.22 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1y9b h PHE 35 CO -0.02 -0.15 -0.09 0.28 -2.23 0.00 0.00 178.31 176.10 1y9b h VAL 36 N 0.07 0.88 -0.21 1.41 2.07 -0.78 0.23 116.25 119.91 1y9b h VAL 36 Ca 0.25 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1y9b h VAL 36 Cb 0.38 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1y9b h VAL 36 CO -0.46 0.06 -0.07 0.25 0.02 0.00 0.00 177.57 177.37 1y9b h LEU 37 N -0.36 -0.24 -0.28 2.57 5.85 -1.31 -0.92 115.31 120.61 1y9b h LEU 37 Ca -0.02 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1y9b h LEU 37 Cb 0.28 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1y9b h LEU 37 CO 0.04 -0.09 0.18 -1.13 -0.34 0.00 0.00 178.44 177.10 1y9b h ASN 38 N -0.02 0.31 -0.90 1.25 -0.73 -1.38 -1.82 115.58 112.29 1y9b h ASN 38 Ca 0.11 -0.01 0.14 0.00 1.87 0.00 0.00 56.30 58.41 1y9b h ASN 38 Cb 0.19 -0.08 -0.07 0.00 0.27 0.00 0.00 38.32 38.63 1y9b h ASN 38 CO -0.23 0.23 0.58 0.00 -0.37 0.00 0.00 177.43 177.63 1y9b h ALA 39 N 1.10 1.81 -0.13 1.57 0.00 -0.75 -2.28 119.26 120.58 1y9b h ALA 39 Ca 0.10 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 1y9b h ALA 39 Cb -0.04 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.63 1y9b h ALA 39 CO -0.03 -0.05 -0.66 0.00 0.00 0.00 0.00 179.25 178.52 1y9b h ALA 40 N 1.59 0.26 -0.38 0.00 0.00 -0.68 -2.54 119.26 117.52 1y9b h ALA 40 Ca 0.45 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1y9b h ALA 40 Cb 0.70 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1y9b h ALA 40 CO -0.21 0.55 -0.08 0.82 0.00 0.00 0.00 179.25 180.33 1y9b h ILE 41 N 0.36 1.27 -0.22 0.00 2.04 -1.26 0.10 117.51 119.81 1y9b h ILE 41 Ca -0.05 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 1y9b h ILE 41 Cb 1.30 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 1y9b h ILE 41 CO 0.14 0.38 0.10 -0.08 0.00 0.00 0.00 178.15 178.69 1y9b h GLU 42 N 0.52 0.31 -0.76 2.37 4.81 -1.46 -1.53 114.58 118.84 1y9b h GLU 42 Ca 0.10 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1y9b h GLU 42 Cb 0.59 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 1y9b h GLU 42 CO 0.03 0.33 0.39 -0.22 -0.73 0.00 0.00 179.01 178.82 1y9b h LYS 43 N 0.21 1.09 -0.16 1.92 1.63 -1.45 -1.29 116.57 118.53 1y9b h LYS 43 Ca 0.07 -0.15 0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1y9b h LYS 43 Cb 0.13 -0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 31.52 1y9b h LYS 43 CO -0.01 0.83 -0.08 0.00 -3.45 0.00 0.00 179.45 176.75 1y9b h ALA 44 N 1.20 0.06 -0.95 5.00 0.00 -0.77 0.90 119.26 124.69 1y9b h ALA 44 Ca 0.26 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.32 1y9b h ALA 44 Cb 0.09 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1y9b h ALA 44 CO -0.04 -0.52 0.61 0.87 0.00 0.00 0.00 179.25 180.18 1y9b h LYS 45 N -0.06 1.00 -0.36 0.00 1.57 -1.18 -1.43 116.57 116.11 1y9b h LYS 45 Ca 0.09 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 1y9b h LYS 45 Cb 0.19 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1y9b h LYS 45 CO -0.20 0.66 -0.38 1.96 -0.57 0.00 0.00 179.45 180.93 1y9b h GLN 46 N 1.03 0.85 -0.30 3.15 4.20 -0.61 -1.61 115.11 121.82 1y9b h GLN 46 Ca 0.43 -0.44 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1y9b h GLN 46 Cb 0.30 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1y9b h GLN 46 CO -0.19 1.08 -0.00 0.28 -0.67 0.00 0.00 178.83 179.33 1y9b h VAL 47 N 0.70 1.26 -0.17 -0.54 2.07 -0.54 -1.30 116.25 117.73 1y9b h VAL 47 Ca 0.06 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1y9b h VAL 47 Cb 0.95 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1y9b h VAL 47 CO 0.09 0.31 0.05 0.40 0.02 0.00 0.00 177.57 178.44 1y9b h ILE 48 N 0.32 1.18 -0.82 4.57 2.04 -1.27 -2.41 117.51 121.13 1y9b h ILE 48 Ca 0.08 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1y9b h ILE 48 Cb 0.44 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 1y9b h ILE 48 CO 0.02 0.17 0.53 -0.08 0.00 0.00 0.00 178.15 178.79 1y9b h GLU 49 N 0.10 1.08 -0.72 2.37 4.57 -1.32 -2.87 114.58 117.80 1y9b h GLU 49 Ca 0.05 -0.08 0.04 0.00 -1.18 0.00 0.00 59.36 58.20 1y9b h GLU 49 Cb 0.22 -0.24 -0.05 0.00 -0.16 0.00 0.00 28.75 28.53 1y9b h GLU 49 CO -0.00 0.73 0.44 -0.09 -1.18 0.00 0.00 179.01 178.91 1y9b h ARG 50 N 1.11 0.83 -0.34 1.92 9.65 -1.05 0.23 114.38 126.72 1y9b h ARG 50 Ca 0.30 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 59.10 1y9b h ARG 50 Cb -0.10 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.28 1y9b h ARG 50 CO -0.06 0.55 0.12 1.49 2.80 0.00 0.00 179.97 184.86 1y9b h GLU 51 N 0.85 0.53 -0.86 0.20 4.81 -1.29 0.31 114.58 119.13 1y9b h GLU 51 Ca 0.29 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.44 1y9b h GLU 51 Cb 0.05 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 1y9b h GLU 51 CO -0.12 0.55 0.56 1.96 -0.73 0.00 0.00 179.01 181.22 1y9b h GLN 52 N 0.41 1.06 -0.22 1.92 4.20 -1.31 -2.74 115.11 118.43 1y9b h GLN 52 Ca 0.11 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.63 1y9b h GLN 52 Cb 0.23 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1y9b h GLN 52 CO -0.01 0.70 -0.42 0.00 -0.67 0.00 0.00 178.83 178.44 1y9b h ALA 53 N 1.35 0.87 -0.44 3.87 0.00 -0.71 -2.70 119.26 121.51 1y9b h ALA 53 Ca 0.34 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1y9b h ALA 53 Cb -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1y9b h ALA 53 CO -0.11 0.64 0.00 -0.07 0.00 0.00 0.00 179.25 179.72 1y9b h LEU 54 N 0.42 0.67 0.14 0.00 3.38 -0.79 -2.02 115.31 117.11 1y9b h LEU 54 Ca 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1y9b h LEU 54 Cb 0.91 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1y9b h LEU 54 CO 0.08 0.74 -0.07 0.11 0.09 0.00 0.00 178.44 179.39 1y9b h LYS 55 N 0.66 -0.18 0.00 1.13 6.56 -1.30 -3.08 116.57 120.37 1y9b h LYS 55 Ca 0.13 0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.70 1y9b h LYS 55 Cb 0.41 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.10 1y9b h LYS 55 CO 0.02 -0.10 -0.17 -0.07 -2.06 0.00 0.00 179.45 177.06 1y9b h LEU 56 N -0.21 0.00 -0.14 2.94 3.38 -1.41 -2.60 115.31 117.28 1y9b h LEU 56 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1y9b h LEU 56 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1y9b h LEU 56 CO 0.03 0.17 0.00 -1.54 0.09 0.00 0.00 178.44 177.19 1y9b n SER 57 N -3.96 0.23 -0.84 -0.43 3.41 -0.77 -2.13 113.62 109.13 1y9b n SER 57 Ca -0.02 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.25 1y9b n SER 57 Cb 0.26 -0.60 0.24 0.00 -0.26 0.00 0.00 64.21 63.85 1y9b n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y9b n GLN 58 N -1.74 2.15 -0.34 4.33 6.02 -0.98 -4.51 117.38 122.32 1y9b n GLN 58 Ca 0.04 -1.68 0.01 0.00 -0.01 0.00 0.00 57.00 55.36 1y9b n GLN 58 Cb 0.26 -1.47 0.14 0.00 1.02 0.00 0.00 30.24 30.19 1y9b n GLN 58 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1y9b h ALA 59 N 4.56 1.25 -0.53 -1.58 0.00 -1.53 -2.42 119.26 119.01 1y9b h ALA 59 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1y9b h ALA 59 Cb 0.84 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1y9b h ALA 59 CO 0.00 0.40 0.21 0.38 0.00 0.00 0.00 179.25 180.25 1y9b h ASP 60 N 1.11 0.25 -0.42 0.00 3.04 -1.81 -2.45 116.42 116.14 1y9b h ASP 60 Ca 0.39 0.05 -0.10 0.00 -3.24 0.00 0.00 57.03 54.13 1y9b h ASP 60 Cb 0.10 0.02 -0.02 0.00 -1.04 0.00 0.00 39.33 38.39 1y9b h ASP 60 CO -0.15 0.17 -0.12 0.00 -2.04 0.00 0.00 179.24 177.10 1y9b h ALA 61 N 1.34 0.89 -0.42 4.15 0.00 -1.80 0.05 119.26 123.47 1y9b h ALA 61 Ca 0.25 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1y9b h ALA 61 Cb 0.25 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1y9b h ALA 61 CO -0.23 0.64 0.22 0.28 0.00 0.00 0.00 179.25 180.16 1y9b h VAL 62 N 0.79 1.00 -0.60 0.00 2.07 -1.37 -3.02 116.25 115.12 1y9b h VAL 62 Ca 0.13 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 1y9b h VAL 62 Cb 0.64 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1y9b h VAL 62 CO 0.04 0.08 0.14 0.25 0.02 0.00 0.00 177.57 178.10 1y9b h LEU 63 N 0.45 0.93 -1.42 2.57 5.85 -1.29 -1.64 115.31 120.76 1y9b h LEU 63 Ca 0.17 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1y9b h LEU 63 Cb 0.05 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.84 1y9b h LEU 63 CO -0.10 0.92 0.00 -0.11 -0.34 0.00 0.00 178.44 178.81 1y9b n LEU 64 N -4.34 0.05 0.00 2.25 7.94 -0.01 -1.23 117.00 121.66 1y9b n LEU 64 Ca 0.03 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 1y9b n LEU 64 Cb 0.25 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.19 1y9b n LEU 64 CO 0.41 0.01 0.00 -0.62 -1.11 0.00 0.00 177.39 176.08 1y9b n GLU 66 N 0.70 0.00 -0.15 1.96 1.02 -0.62 -0.31 120.64 123.24 1y9b n GLU 66 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1y9b n GLU 66 Cb 0.01 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.43 1y9b n GLU 66 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1y9b h ALA 67 N 0.00 0.55 -0.97 0.62 0.00 -1.45 -0.47 119.26 117.54 1y9b h ALA 67 Ca 0.00 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.91 1y9b h ALA 67 Cb 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.54 1y9b h ALA 67 CO 0.00 0.14 0.61 -0.07 0.00 0.00 0.00 179.25 179.94 1y9b h LEU 68 N 0.55 0.84 0.00 0.00 3.38 -0.94 -1.26 115.31 117.89 1y9b h LEU 68 Ca 0.14 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 1y9b h LEU 68 Cb 0.16 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.81 1y9b h LEU 68 CO -0.01 0.43 -0.51 0.44 0.09 0.00 0.00 178.44 178.87 1y9b h ASP 69 N 0.89 0.45 -2.05 -0.43 3.32 -1.70 -3.41 116.42 113.48 1y9b h ASP 69 Ca 0.49 -0.77 -0.56 0.00 0.02 0.00 0.00 57.03 56.21 1y9b h ASP 69 Cb 0.59 -0.14 -0.40 0.00 0.22 0.00 0.00 39.33 39.61 1y9b h ASP 69 CO -0.26 1.16 -0.99 0.59 -1.72 0.00 0.00 179.24 178.02 1y9b n ASN 70 N -4.29 1.13 -0.22 6.45 3.02 -0.23 -4.99 115.26 116.13 1y9b n ASN 70 Ca -0.10 -2.91 -0.01 0.00 -0.03 0.00 0.00 54.58 51.54 1y9b n ASN 70 Cb 0.63 -0.64 0.11 0.00 -0.61 0.00 0.00 39.78 39.27 1y9b n ASN 70 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1y9b h PRO 71 N 3.95 0.56 -0.49 3.52 0.11 -1.45 -1.51 132.00 136.70 1y9b h PRO 71 Ca 0.10 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.07 1y9b h PRO 71 Cb 0.83 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.79 1y9b h PRO 71 CO 0.56 0.37 -0.13 0.00 -0.21 0.00 0.00 178.00 178.59 1y9b h ALA 72 N 1.38 0.85 -0.23 -0.75 0.00 -1.94 -0.29 119.26 118.27 1y9b h ALA 72 Ca 0.31 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1y9b h ALA 72 Cb 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1y9b h ALA 72 CO -0.23 0.65 -0.42 0.28 0.00 0.00 0.00 179.25 179.53 1y9b h VAL 73 N 0.81 1.31 -0.45 0.00 2.07 -1.88 -1.06 116.25 117.05 1y9b h VAL 73 Ca 0.13 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.00 1y9b h VAL 73 Cb 0.67 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1y9b h VAL 73 CO 0.05 0.51 0.19 0.58 0.02 0.00 0.00 177.57 178.92 1y9b h VAL 74 N 0.41 1.20 -1.00 2.57 2.07 -1.21 0.11 116.25 120.39 1y9b h VAL 74 Ca 0.01 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1y9b h VAL 74 Cb 1.01 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 1y9b h VAL 74 CO 0.09 0.22 0.66 0.78 0.02 0.00 0.00 177.57 179.35 1y9b h ASN 75 N 0.58 1.14 -0.59 0.57 2.35 -1.01 -1.64 115.58 116.98 1y9b h ASN 75 Ca 0.15 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1y9b h ASN 75 Cb 0.17 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 1y9b h ASN 75 CO -0.01 0.81 0.27 0.00 -1.65 0.00 0.00 177.43 176.84 1y9b h ALA 76 N 1.38 0.76 -0.70 -0.83 0.00 -0.84 -1.26 119.26 117.75 1y9b h ALA 76 Ca 0.37 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1y9b h ALA 76 Cb -0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 1y9b h ALA 76 CO -0.09 0.34 0.40 0.87 0.00 0.00 0.00 179.25 180.76 1y9b h LYS 77 N 0.80 0.98 -0.25 0.00 1.57 -0.53 -0.56 116.57 118.58 1y9b h LYS 77 Ca 0.20 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1y9b h LYS 77 Cb 0.15 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1y9b h LYS 77 CO -0.02 0.72 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.33 1y9b h LEU 78 N 0.97 0.42 -0.36 2.94 3.38 -1.17 -2.62 115.31 118.88 1y9b h LEU 78 Ca 0.25 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 1y9b h LEU 78 Cb 0.02 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1y9b h LEU 78 CO -0.04 0.62 -0.70 0.11 0.09 0.00 0.00 178.44 178.51 1y9b h LYS 79 N 0.40 0.55 -0.74 1.13 1.57 -0.58 -3.08 116.57 115.82 1y9b h LYS 79 Ca 0.07 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 1y9b h LYS 79 Cb 0.54 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1y9b h LYS 79 CO 0.03 1.05 0.41 -0.07 -0.57 0.00 0.00 179.45 180.31 1y9b h LEU 80 N 0.39 0.91 -2.07 2.94 3.38 -0.95 -2.97 115.31 116.94 1y9b h LEU 80 Ca -0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1y9b h LEU 80 Cb 1.29 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1y9b h LEU 80 CO 0.13 0.74 -0.08 0.00 0.09 0.00 0.00 178.44 179.32 1y9b h ALA 81 N 1.21 1.52 -0.55 1.53 0.00 -1.41 -2.21 119.26 119.35 1y9b h ALA 81 Ca 0.26 -0.07 -0.33 0.00 0.00 0.00 0.00 54.91 54.77 1y9b h ALA 81 Cb 0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.63 1y9b h ALA 81 CO -0.04 0.10 0.43 -1.13 0.00 0.00 0.00 179.25 178.60 1y9b n SER 82 N -3.93 5.13 0.00 0.00 3.41 -1.12 -5.12 113.62 111.99 1y9b n SER 82 Ca -0.02 -3.04 0.00 0.00 -0.26 0.00 0.00 58.87 55.55 1y9b n SER 82 Cb 0.17 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 1y9b n SER 82 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26