#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3juo n SER 11 N 0.00 2.17 0.10 3.42 3.41 -1.26 -3.08 113.62 118.38 3juo n SER 11 Ca 0.00 -1.61 -0.12 0.00 -0.26 0.00 0.00 58.87 56.87 3juo n SER 11 Cb 0.00 0.16 -0.08 0.00 -0.26 0.00 0.00 64.21 64.03 3juo n SER 11 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3juo h GLU 12 N 3.13 -0.28 0.00 4.33 3.07 -2.05 -1.11 114.58 121.67 3juo h GLU 12 Ca 0.00 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.84 3juo h GLU 12 Cb 0.77 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.74 3juo h GLU 12 CO 0.00 0.09 -0.17 -0.91 -1.40 0.00 0.00 179.01 176.61 3juo h ASN 13 N -0.74 0.00 0.57 1.42 2.35 -1.99 -0.56 115.58 116.62 3juo h ASN 13 Ca -0.03 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.51 3juo h ASN 13 Cb 0.50 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3juo h ASN 13 CO 0.05 0.17 -0.94 -0.09 -1.65 0.00 0.00 177.43 174.98 3juo h ARG 14 N 0.00 0.23 -0.14 0.81 2.43 -1.56 -0.66 114.38 115.49 3juo h ARG 14 Ca -0.00 -0.27 -0.02 0.00 -0.81 0.00 0.00 59.98 58.87 3juo h ARG 14 Cb 0.34 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3juo h ARG 14 CO 0.02 1.01 -0.01 0.00 -1.51 0.00 0.00 179.97 179.48 3juo h ALA 15 N 0.89 0.18 0.06 2.80 0.00 -0.76 -1.79 119.26 120.64 3juo h ALA 15 Ca -0.06 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.67 3juo h ALA 15 Cb 1.58 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 3juo h ALA 15 CO 0.15 -0.10 -0.20 1.96 0.00 0.00 0.00 179.25 181.06 3juo h GLN 16 N -0.03 -0.33 -0.62 0.00 1.08 -1.16 0.43 115.11 114.48 3juo h GLN 16 Ca 0.04 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.29 3juo h GLN 16 Cb 0.40 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.87 3juo h GLN 16 CO 0.01 -0.22 0.37 0.28 -0.95 0.00 0.00 178.83 178.32 3juo h VAL 17 N -0.35 1.04 -0.34 -0.54 2.07 -1.16 0.01 116.25 116.97 3juo h VAL 17 Ca 0.04 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.38 3juo h VAL 17 Cb 0.39 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 30.37 3juo h VAL 17 CO -0.14 0.13 -0.02 0.00 0.02 0.00 0.00 177.57 177.55 3juo h ALA 18 N 1.28 0.29 -0.49 1.67 0.00 -0.90 -0.63 119.26 120.49 3juo h ALA 18 Ca 0.26 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 3juo h ALA 18 Cb 0.06 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3juo h ALA 18 CO -0.12 -0.42 0.27 0.00 0.00 0.00 0.00 179.25 178.98 3juo h ALA 19 N 1.31 1.55 -0.01 0.00 0.00 0.51 -2.05 119.26 120.56 3juo h ALA 19 Ca 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3juo h ALA 19 Cb 0.24 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3juo h ALA 19 CO -0.30 0.38 -0.05 -0.09 0.00 0.00 0.00 179.25 179.19 3juo h ARG 20 N 0.68 0.06 -0.60 0.00 2.43 -0.33 -1.07 114.38 115.54 3juo h ARG 20 Ca 0.18 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3juo h ARG 20 Cb 0.02 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3juo h ARG 20 CO -0.03 0.67 0.25 1.96 -1.51 0.00 0.00 179.97 181.31 3juo h GLN 21 N -0.55 0.87 0.21 0.20 4.20 -1.00 -0.03 115.11 119.01 3juo h GLN 21 Ca -0.00 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 3juo h GLN 21 Cb 0.68 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3juo h GLN 21 CO 0.01 0.71 -0.10 1.25 -0.67 0.00 0.00 178.83 180.03 3juo h HIS 22 N 0.86 -0.26 -0.96 2.96 2.76 -1.33 -2.60 115.15 116.58 3juo h HIS 22 Ca 0.21 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.45 3juo h HIS 22 Cb 0.15 0.09 -0.07 0.00 1.55 0.00 0.00 27.41 29.13 3juo h HIS 22 CO 0.01 0.11 0.61 -0.91 -1.30 0.00 0.00 177.93 176.44 3juo h ASN 23 N -0.68 0.93 -0.89 3.26 2.35 -0.99 -1.73 115.58 117.83 3juo h ASN 23 Ca -0.03 0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3juo h ASN 23 Cb 0.48 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.64 3juo h ASN 23 CO 0.05 0.56 0.59 -0.09 -1.65 0.00 0.00 177.43 176.89 3juo h ARG 24 N 1.05 1.13 -0.12 0.81 2.43 -0.94 0.17 114.38 118.91 3juo h ARG 24 Ca 0.44 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.48 3juo h ARG 24 Cb 0.29 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3juo h ARG 24 CO -0.21 0.75 -0.23 0.87 -1.51 0.00 0.00 179.97 179.63 3juo h LYS 25 N 1.16 0.20 -0.23 0.20 1.79 -0.92 0.12 116.57 118.89 3juo h LYS 25 Ca 0.34 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 58.70 3juo h LYS 25 Cb -0.06 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 3juo h LYS 25 CO -0.09 0.43 -0.04 0.82 -1.08 0.00 0.00 179.45 179.50 3juo h ILE 26 N 0.19 1.28 -0.52 1.86 1.08 -0.79 -1.62 117.51 118.98 3juo h ILE 26 Ca 0.03 -1.00 0.06 0.00 -0.39 0.00 0.00 64.86 63.56 3juo h ILE 26 Cb 0.52 1.47 -0.05 0.00 -3.07 0.00 0.00 36.82 35.69 3juo h ILE 26 CO 0.04 0.31 0.23 0.58 -0.69 0.00 0.00 178.15 178.61 3juo h VAL 27 N 0.17 0.89 -0.94 1.67 2.07 -0.72 0.11 116.25 119.49 3juo h VAL 27 Ca 0.06 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.45 3juo h VAL 27 Cb 0.48 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 3juo h VAL 27 CO 0.02 0.08 0.62 -0.33 0.02 0.00 0.00 177.57 177.98 3juo h GLU 28 N 0.44 1.19 -0.21 1.57 5.08 -0.87 -1.91 114.58 119.86 3juo h GLU 28 Ca 0.24 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 3juo h GLU 28 Cb 0.21 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3juo h GLU 28 CO -0.21 0.79 -0.11 0.37 -1.00 0.00 0.00 179.01 178.85 3juo h GLN 29 N 1.23 0.46 -0.31 2.33 4.15 -0.43 -1.37 115.11 121.16 3juo h GLN 29 Ca 0.36 -0.20 0.07 0.00 0.77 0.00 0.00 58.65 59.65 3juo h GLN 29 Cb -0.06 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.56 3juo h GLN 29 CO -0.10 0.74 -0.11 -0.92 -1.93 0.00 0.00 178.83 176.51 3juo h TYR 30 N 0.16 -0.26 0.00 3.99 3.20 -0.57 -2.44 116.97 121.05 3juo h TYR 30 Ca 0.05 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 3juo h TYR 30 Cb 0.61 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 3juo h TYR 30 CO 0.06 -0.18 -0.33 0.52 -1.64 0.00 0.00 178.16 176.60 3juo h MET 31 N -0.05 0.00 -0.46 1.82 2.86 -1.12 -3.06 114.93 114.92 3juo h MET 31 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3juo h MET 31 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 3juo h MET 31 CO -0.35 0.33 0.00 0.72 1.06 0.00 0.00 176.91 178.67 3juo n HIS 32 N -3.88 0.61 -2.46 -0.22 8.25 -0.54 -4.56 115.22 112.42 3juo n HIS 32 Ca -0.02 -0.30 -0.42 0.00 -0.26 0.00 0.00 57.72 56.72 3juo n HIS 32 Cb 0.40 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.48 3juo n HIS 32 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3juo s THR 33 N -1.39 4.08 0.19 1.59 2.01 -0.97 -5.02 115.64 116.13 3juo s THR 33 Ca 0.40 1.54 -0.04 0.00 0.31 0.00 0.00 61.69 63.90 3juo s THR 33 Cb 0.22 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 3juo s THR 33 CO 0.31 0.14 0.19 -0.13 -0.69 0.00 0.00 174.62 174.44 3juo s ARG 34 N 0.80 1.19 3.73 4.92 0.52 -1.26 -4.86 118.95 123.99 3juo s ARG 34 Ca 0.56 -1.47 0.00 0.00 -0.52 0.00 0.00 55.73 54.30 3juo s ARG 34 Cb -0.29 0.31 0.00 0.00 0.52 0.00 0.00 34.95 35.49 3juo s ARG 34 CO 0.30 -0.40 0.00 0.41 0.02 0.00 0.00 175.30 175.63 3juo n GLY 35 N -0.24 2.45 0.29 -3.53 0.00 -1.26 -2.89 105.19 100.00 3juo n GLY 35 Ca -0.01 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 45.83 3juo n GLY 35 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3juo h GLU 36 N 0.00 0.05 0.00 1.61 4.39 -1.99 -0.80 114.58 117.84 3juo h GLU 36 Ca 0.00 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3juo h GLU 36 Cb 0.00 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3juo h GLU 36 CO 0.00 0.04 -0.00 0.00 -1.16 0.00 0.00 179.01 177.88 3juo h ALA 37 N 1.92 1.12 0.00 3.43 0.00 -1.94 -0.74 119.26 123.05 3juo h ALA 37 Ca 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3juo h ALA 37 Cb 0.19 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3juo h ALA 37 CO -0.01 0.01 -0.06 0.00 0.00 0.00 0.00 179.25 179.19 3juo h ARG 38 N 0.00 0.00 0.00 0.00 3.08 -1.26 -1.99 114.38 114.21 3juo h ARG 38 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3juo h ARG 38 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3juo h ARG 38 CO 0.00 0.06 0.01 -0.07 -1.07 0.00 0.00 179.97 178.90 3juo h LEU 39 N 0.00 0.00 -1.89 3.04 3.38 -1.32 -3.03 115.31 115.49 3juo h LEU 39 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3juo h LEU 39 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3juo h LEU 39 CO 0.01 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.83 3juo n LYS 40 N -2.93 1.07 0.24 1.13 5.02 -0.75 -4.62 118.16 117.31 3juo n LYS 40 Ca -0.03 -1.26 0.11 0.00 -2.02 0.00 0.00 58.31 55.11 3juo n LYS 40 Cb 0.07 -1.15 0.54 0.00 -0.02 0.00 0.00 35.03 34.47 3juo n LYS 40 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3juo h ARG 41 N 1.33 0.00 -0.01 1.97 2.43 -1.50 -2.41 114.38 116.18 3juo h ARG 41 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3juo h ARG 41 Cb 0.42 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3juo h ARG 41 CO 0.00 0.18 0.04 1.12 -1.51 0.00 0.00 179.97 179.80 3juo h HIS 42 N 0.00 0.00 0.00 2.20 2.07 -1.82 -0.27 115.15 117.33 3juo h HIS 42 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3juo h HIS 42 Cb 0.65 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.63 3juo h HIS 42 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 3juo n LEU 43 N -3.30 0.00 -0.08 6.12 4.77 -0.91 -2.32 117.00 121.28 3juo n LEU 43 Ca -0.03 0.49 0.14 0.00 -0.03 0.00 0.00 56.01 56.58 3juo n LEU 43 Cb 0.11 -0.49 0.63 0.00 -2.33 0.00 0.00 43.42 41.35 3juo n LEU 43 CO 0.22 -0.25 0.89 0.18 -1.33 0.00 0.00 177.39 177.09 3juo n LEU 44 N -1.49 0.35 -4.95 2.23 4.77 -0.11 -4.89 117.00 112.91 3juo n LEU 44 Ca 0.04 0.09 -0.23 0.00 -0.03 0.00 0.00 56.01 55.87 3juo n LEU 44 Cb 0.16 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 3juo n LEU 44 CO 0.13 0.07 0.07 -0.36 -1.33 0.00 0.00 177.39 175.97 3juo s PHE 45 N -2.54 3.48 0.96 -1.77 0.08 -0.98 -0.38 117.98 116.82 3juo s PHE 45 Ca 0.27 0.20 -0.12 0.00 0.12 0.00 0.00 56.93 57.40 3juo s PHE 45 Cb 0.20 -1.76 0.16 0.00 -0.57 0.00 0.00 43.02 41.05 3juo s PHE 45 CO 0.48 0.27 1.09 0.95 -0.10 0.00 0.00 175.22 177.92 3juo s THR 46 N -2.14 2.30 0.18 0.64 -4.23 0.67 -4.65 115.64 108.41 3juo s THR 46 Ca 0.37 0.10 -0.13 0.00 -1.18 0.00 0.00 61.69 60.85 3juo s THR 46 Cb -0.09 -2.60 0.09 0.00 1.34 0.00 0.00 72.50 71.24 3juo s THR 46 CO 0.33 -0.13 1.85 -0.08 -0.54 0.00 0.00 174.62 176.04 3juo h GLU 47 N -1.75 0.75 -0.57 3.99 4.57 -1.95 -1.35 114.58 118.26 3juo h GLU 47 Ca -0.52 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.61 3juo h GLU 47 Cb 1.31 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3juo h GLU 47 CO 0.57 0.50 0.00 -0.40 -1.18 0.00 0.00 179.01 178.49 3juo n ASP 48 N -4.69 1.87 -4.76 1.04 3.85 -1.26 -1.15 116.55 111.44 3juo n ASP 48 Ca 0.04 -2.15 -0.35 0.00 -0.71 0.00 0.00 54.79 51.62 3juo n ASP 48 Cb 0.03 -0.37 0.02 0.00 -1.35 0.00 0.00 41.12 39.45 3juo n ASP 48 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3juo s GLY 49 N -0.59 2.65 -0.08 6.12 0.00 -0.51 -4.25 107.32 110.67 3juo s GLY 49 Ca 0.16 0.90 0.05 0.00 0.00 0.00 0.00 44.72 45.84 3juo s GLY 49 CO 0.07 1.28 -0.25 0.14 0.00 0.00 0.00 173.10 174.35 3juo s VAL 50 N -1.72 2.05 0.16 1.40 1.01 0.91 0.96 120.40 125.17 3juo s VAL 50 Ca 0.75 -1.04 0.06 0.00 0.00 0.00 0.00 61.98 61.75 3juo s VAL 50 Cb -0.27 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3juo s VAL 50 CO 0.31 0.56 -0.13 -0.83 0.00 0.00 0.00 175.10 175.02 3juo s GLY 51 N 0.05 1.20 0.00 4.51 0.00 -0.70 -0.24 107.32 112.15 3juo s GLY 51 Ca -0.10 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.13 3juo s GLY 51 CO 0.06 -1.58 0.00 0.61 0.00 0.00 0.00 173.10 172.19 3juo n GLY 52 N -0.03 -0.62 3.56 0.20 0.00 -0.94 -0.54 105.19 106.82 3juo n GLY 52 Ca -0.11 -1.27 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 3juo n GLY 52 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3juo s LEU 53 N 0.00 4.18 0.00 0.99 2.96 -0.84 -0.79 118.68 125.18 3juo s LEU 53 Ca 0.00 -0.19 0.23 0.00 -0.22 0.00 0.00 54.13 53.95 3juo s LEU 53 Cb 0.00 -2.11 0.05 0.00 0.50 0.00 0.00 46.19 44.63 3juo s LEU 53 CO 0.00 -0.12 1.10 0.79 -1.32 0.00 0.00 176.35 176.80 3juo n TRP 54 N 5.07 0.00 -3.94 5.38 8.01 -0.01 -1.27 117.44 130.67 3juo n TRP 54 Ca -0.14 0.00 -0.32 0.00 -1.31 0.00 0.00 57.50 55.74 3juo n TRP 54 Cb 0.51 -0.06 -0.14 0.00 -2.01 0.00 0.00 31.31 29.61 3juo n TRP 54 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 3juo s THR 55 N -2.85 2.62 0.35 -0.99 -4.23 -1.24 -4.52 115.64 104.78 3juo s THR 55 Ca 0.12 -2.65 0.09 0.00 -1.18 0.00 0.00 61.69 58.08 3juo s THR 55 Cb 0.17 -2.86 -0.07 0.00 1.34 0.00 0.00 72.50 71.09 3juo s THR 55 CO 0.74 -0.69 -0.09 0.42 -0.54 0.00 0.00 174.62 174.46 3juo s THR 56 N 0.50 2.21 0.39 3.99 -4.23 -1.26 -4.66 115.64 112.59 3juo s THR 56 Ca 0.13 -2.19 0.07 0.00 -1.18 0.00 0.00 61.69 58.52 3juo s THR 56 Cb -0.22 -2.67 0.23 0.00 1.34 0.00 0.00 72.50 71.18 3juo s THR 56 CO -0.05 -0.19 2.00 -2.24 -0.54 0.00 0.00 174.62 173.61 3juo h ASP 57 N 2.00 0.44 1.46 3.99 3.04 -1.96 -2.32 116.42 123.07 3juo h ASP 57 Ca -0.42 -0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.33 3juo h ASP 57 Cb 1.25 -0.11 0.00 0.00 -1.04 0.00 0.00 39.33 39.43 3juo h ASP 57 CO 0.71 0.39 0.00 0.77 -2.04 0.00 0.00 179.24 179.08 3juo h SER 58 N 0.49 0.00 0.00 4.15 4.64 -2.02 -3.47 113.55 117.34 3juo h SER 58 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3juo h SER 58 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3juo h SER 58 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 3juo n GLY 59 N 0.94 2.57 3.90 -0.77 0.00 -0.87 -5.04 105.19 105.92 3juo n GLY 59 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3juo n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3juo s GLN 60 N -0.27 3.51 0.47 1.61 -1.52 -1.26 -4.87 119.66 117.33 3juo s GLN 60 Ca 0.00 -0.22 -0.24 0.00 -1.95 0.00 0.00 55.36 52.95 3juo s GLN 60 Cb 0.00 -3.07 -0.08 0.00 -0.22 0.00 0.00 33.01 29.65 3juo s GLN 60 CO 0.00 0.64 1.39 -2.30 -0.25 0.00 0.00 175.29 174.77 3juo n PRO 61 N 0.89 2.05 -2.95 2.91 -0.02 -1.26 -4.53 135.00 132.09 3juo n PRO 61 Ca -0.10 0.74 -0.44 0.00 -2.02 0.00 0.00 63.50 61.68 3juo n PRO 61 Cb 0.52 -2.58 -0.02 0.00 -0.02 0.00 0.00 33.50 31.41 3juo n PRO 61 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3juo s ILE 62 N -1.22 4.82 -0.20 4.25 -1.09 -0.40 -5.00 121.20 122.37 3juo s ILE 62 Ca 0.64 -1.78 -0.10 0.00 -2.23 0.00 0.00 60.65 57.19 3juo s ILE 62 Cb -0.45 -4.78 -0.05 0.00 -1.58 0.00 0.00 42.46 35.60 3juo s ILE 62 CO 0.55 -1.50 0.12 0.00 -1.23 0.00 0.00 174.94 172.89 3juo s ALA 63 N 2.38 3.61 -0.30 9.38 0.00 -1.26 -1.99 121.76 133.57 3juo s ALA 63 Ca 0.33 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.49 3juo s ALA 63 Cb -0.05 -2.15 0.02 0.00 0.00 0.00 0.00 23.12 20.94 3juo s ALA 63 CO -0.08 0.09 0.07 0.42 0.00 0.00 0.00 175.76 176.25 3juo s ILE 64 N 0.51 3.78 -0.27 0.00 1.01 0.30 -4.98 121.20 121.55 3juo s ILE 64 Ca 0.07 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 59.78 3juo s ILE 64 Cb -0.12 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 3juo s ILE 64 CO -0.00 0.03 0.15 -0.13 0.00 0.00 0.00 174.94 174.98 3juo s ARG 65 N 1.45 3.85 0.00 2.79 0.52 -1.26 -1.72 118.95 124.58 3juo s ARG 65 Ca 0.01 -0.38 0.00 0.00 -0.52 0.00 0.00 55.73 54.85 3juo s ARG 65 Cb -0.18 -3.54 0.00 0.00 0.52 0.00 0.00 34.95 31.76 3juo s ARG 65 CO 0.02 -0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.57 3juo n GLY 66 N 4.99 2.25 0.27 -3.53 0.00 0.27 -4.52 105.19 104.93 3juo n GLY 66 Ca -0.15 -1.73 -0.07 0.00 0.00 0.00 0.00 46.02 44.07 3juo n GLY 66 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3juo h ARG 67 N 0.00 0.91 -0.18 1.61 2.43 -1.29 -1.37 114.38 116.49 3juo h ARG 67 Ca 0.00 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 3juo h ARG 67 Cb 0.00 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 3juo h ARG 67 CO 0.00 0.73 0.08 1.49 -1.51 0.00 0.00 179.97 180.77 3juo h GLU 68 N 0.87 0.26 -0.52 0.20 4.81 -1.89 -1.89 114.58 116.42 3juo h GLU 68 Ca 0.22 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3juo h GLU 68 Cb 0.12 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 3juo h GLU 68 CO -0.03 0.30 0.20 0.87 -0.73 0.00 0.00 179.01 179.62 3juo h LYS 69 N 0.16 0.75 -0.67 1.92 1.57 -1.71 -2.16 116.57 116.42 3juo h LYS 69 Ca 0.06 -0.11 0.05 0.00 -1.87 0.00 0.00 60.65 58.78 3juo h LYS 69 Cb 0.12 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.25 3juo h LYS 69 CO -0.01 0.62 0.39 -0.07 -0.57 0.00 0.00 179.45 179.82 3juo h LEU 70 N 0.74 0.62 0.07 2.94 3.38 -0.88 -0.89 115.31 121.29 3juo h LEU 70 Ca 0.18 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.18 3juo h LEU 70 Cb 0.16 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3juo h LEU 70 CO -0.02 0.41 -0.19 1.23 0.09 0.00 0.00 178.44 179.96 3juo h GLY 71 N 0.75 -0.32 1.23 0.83 0.00 -0.73 -0.15 103.07 104.68 3juo h GLY 71 Ca 0.29 0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.83 3juo h GLY 71 CO -0.15 -0.18 0.40 0.83 0.00 0.00 0.00 176.54 177.44 3juo h GLU 72 N -0.35 1.01 0.00 4.80 5.08 -1.27 -2.42 114.58 121.43 3juo h GLU 72 Ca 0.04 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3juo h GLU 72 Cb 0.39 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3juo h GLU 72 CO -0.13 0.74 -0.25 1.25 -1.00 0.00 0.00 179.01 179.62 3juo h HIS 73 N 1.02 0.00 0.00 4.33 2.76 -0.73 -2.53 115.15 119.99 3juo h HIS 73 Ca 0.26 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.35 3juo h HIS 73 Cb 0.03 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 3juo h HIS 73 CO 0.01 0.25 -0.35 0.00 -1.30 0.00 0.00 177.93 176.54 3juo h ALA 74 N 1.75 1.09 0.06 5.26 0.00 -0.54 -1.14 119.26 125.74 3juo h ALA 74 Ca -0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3juo h ALA 74 Cb 1.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3juo h ALA 74 CO 0.03 0.43 -0.03 0.28 0.00 0.00 0.00 179.25 179.97 3juo h VAL 75 N 0.00 1.05 -0.80 0.00 2.07 -1.19 -1.77 116.25 115.62 3juo h VAL 75 Ca -0.00 -0.36 0.08 0.00 0.82 0.00 0.00 66.70 67.24 3juo h VAL 75 Cb 0.79 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.78 3juo h VAL 75 CO 0.04 0.09 0.46 -0.25 0.02 0.00 0.00 177.57 177.94 3juo h TRP 76 N -0.24 0.84 0.00 1.57 7.01 -1.45 -2.42 115.95 121.26 3juo h TRP 76 Ca -0.01 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.93 3juo h TRP 76 Cb 0.21 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 3juo h TRP 76 CO -0.02 0.37 -0.44 1.03 -2.79 0.00 0.00 178.44 176.59 3juo h SER 77 N 0.80 0.00 1.56 2.65 0.87 -1.14 -1.22 113.55 117.07 3juo h SER 77 Ca 0.37 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.90 3juo h SER 77 Cb 0.29 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3juo h SER 77 CO -0.22 0.44 -0.17 0.25 -0.53 0.00 0.00 176.83 176.59 3juo h LEU 78 N 0.00 0.00 0.07 2.23 5.85 -0.80 -0.71 115.31 121.95 3juo h LEU 78 Ca -0.00 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.47 3juo h LEU 78 Cb 0.80 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.85 3juo h LEU 78 CO 0.06 0.17 -1.00 1.56 -0.34 0.00 0.00 178.44 178.88 3juo h GLN 79 N 0.00 0.56 -0.00 1.25 7.50 -1.39 -3.28 115.11 119.75 3juo h GLN 79 Ca -0.00 -0.69 -0.21 0.00 0.50 0.00 0.00 58.65 58.25 3juo h GLN 79 Cb 1.00 0.22 -0.01 0.00 0.05 0.00 0.00 27.48 28.74 3juo h GLN 79 CO 0.02 1.29 -0.89 0.00 -1.50 0.00 0.00 178.83 177.76 3juo n PHE 81 N -3.71 1.46 0.27 0.00 3.01 -0.29 -0.47 117.46 117.73 3juo n PHE 81 Ca -0.05 -3.83 0.14 0.00 1.01 0.00 0.00 57.45 54.72 3juo n PHE 81 Cb 0.81 -0.40 0.75 0.00 -0.01 0.00 0.00 39.48 40.64 3juo n PHE 81 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3juo h PRO 82 N 4.34 0.00 0.00 -1.08 0.13 -1.72 -3.16 132.00 130.52 3juo h PRO 82 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3juo h PRO 82 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3juo h PRO 82 CO 0.62 0.10 -0.25 -0.40 -0.23 0.00 0.00 178.00 177.84 3juo n ASP 83 N -3.50 1.16 -4.61 1.44 5.75 -1.26 -4.89 116.55 110.63 3juo n ASP 83 Ca -0.01 -2.52 -0.47 0.00 -0.01 0.00 0.00 54.79 51.78 3juo n ASP 83 Cb 0.24 -0.31 -0.03 0.00 -1.03 0.00 0.00 41.12 39.99 3juo n ASP 83 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 3juo n TRP 84 N -0.71 1.59 -4.15 2.11 -0.00 -1.19 -4.79 117.44 110.31 3juo n TRP 84 Ca 0.08 0.60 -0.15 0.00 -0.00 0.00 0.00 57.50 58.02 3juo n TRP 84 Cb 0.66 -2.34 -0.14 0.00 -0.00 0.00 0.00 31.31 29.50 3juo n TRP 84 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 3juo s VAL 85 N -0.31 0.44 -0.04 5.87 -7.23 -0.87 -4.73 120.40 113.53 3juo s VAL 85 Ca 0.69 -0.36 -0.15 0.00 -1.81 0.00 0.00 61.98 60.35 3juo s VAL 85 Cb -0.76 -0.40 -0.05 0.00 0.56 0.00 0.00 36.38 35.73 3juo s VAL 85 CO 0.53 0.04 0.40 0.26 -0.31 0.00 0.00 175.10 176.01 3juo s TRP 86 N -0.32 3.66 0.26 2.82 0.52 -1.26 -1.98 118.94 122.64 3juo s TRP 86 Ca 0.00 0.91 0.02 0.00 0.02 0.00 0.00 56.10 57.06 3juo s TRP 86 Cb -0.03 -2.32 -0.05 0.00 -1.15 0.00 0.00 33.47 29.91 3juo s TRP 86 CO -0.00 0.53 0.06 0.95 0.02 0.00 0.00 176.95 178.51 3juo s THR 87 N -0.63 0.80 -1.44 2.01 -4.23 -0.43 -4.88 115.64 106.83 3juo s THR 87 Ca 0.23 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.64 3juo s THR 87 Cb -0.16 -2.59 0.05 0.00 1.34 0.00 0.00 72.50 71.15 3juo s THR 87 CO 0.11 -0.09 0.95 0.47 -0.54 0.00 0.00 174.62 175.52 3juo n ASP 88 N -0.49 -4.07 -4.70 3.99 9.92 -1.26 -1.21 116.55 118.73 3juo n ASP 88 Ca -0.02 -0.74 -0.42 0.00 -0.53 0.00 0.00 54.79 53.08 3juo n ASP 88 Cb 0.66 -4.16 -0.03 0.00 -0.64 0.00 0.00 41.12 36.94 3juo n ASP 88 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3juo s ILE 89 N -3.40 4.08 -0.07 0.53 1.01 -1.26 -4.27 121.20 117.82 3juo s ILE 89 Ca 0.46 1.46 0.02 0.00 0.00 0.00 0.00 60.65 62.59 3juo s ILE 89 Cb -0.23 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 38.32 3juo s ILE 89 CO 0.81 0.06 -0.10 -1.10 0.00 0.00 0.00 174.94 174.60 3juo s GLN 90 N 1.62 1.57 -0.21 2.79 -0.21 0.13 -5.01 119.66 120.34 3juo s GLN 90 Ca 0.58 -0.35 -0.09 0.00 0.02 0.00 0.00 55.36 55.52 3juo s GLN 90 Cb -0.28 -1.37 -0.05 0.00 1.00 0.00 0.00 33.01 32.31 3juo s GLN 90 CO 0.26 -0.04 0.11 0.42 -2.12 0.00 0.00 175.29 173.93 3juo s ILE 91 N 0.89 5.14 -0.21 1.08 1.01 -1.26 -1.45 121.20 126.39 3juo s ILE 91 Ca -0.11 0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.61 3juo s ILE 91 Cb -0.15 -3.35 -0.01 0.00 0.01 0.00 0.00 42.46 38.96 3juo s ILE 91 CO 0.01 0.42 -0.06 -0.36 0.00 0.00 0.00 174.94 174.94 3juo s PHE 92 N 0.62 2.93 0.57 3.97 0.40 0.11 -5.01 117.98 121.57 3juo s PHE 92 Ca 0.06 -1.00 -0.16 0.00 -0.60 0.00 0.00 56.93 55.23 3juo s PHE 92 Cb -0.12 -2.07 -0.05 0.00 0.51 0.00 0.00 43.02 41.28 3juo s PHE 92 CO 0.01 -0.56 1.04 -1.21 0.70 0.00 0.00 175.22 175.19 3juo s GLU 93 N 1.41 3.50 0.46 0.44 2.02 -1.26 -1.55 118.70 123.71 3juo s GLU 93 Ca 0.05 1.14 0.03 0.00 0.02 0.00 0.00 54.97 56.21 3juo s GLU 93 Cb -0.14 -2.06 -0.01 0.00 0.10 0.00 0.00 34.13 32.02 3juo s GLU 93 CO -0.04 -0.66 0.11 0.95 0.02 0.00 0.00 175.26 175.64 3juo s THR 94 N -2.49 0.64 0.59 3.63 -4.23 -1.22 -4.90 115.64 107.65 3juo s THR 94 Ca 0.62 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 59.49 3juo s THR 94 Cb -0.14 -2.19 0.39 0.00 1.34 0.00 0.00 72.50 71.89 3juo s THR 94 CO 0.35 0.00 2.28 0.06 -0.54 0.00 0.00 174.62 176.77 3juo h GLN 95 N 1.58 0.00 -5.30 3.99 -0.00 -1.99 -3.39 115.11 110.01 3juo h GLN 95 Ca -0.37 0.00 -0.62 0.00 -0.00 0.00 0.00 58.65 57.66 3juo h GLN 95 Cb 1.29 0.00 -0.13 0.00 -0.00 0.00 0.00 27.48 28.64 3juo h GLN 95 CO 0.59 0.01 -0.07 0.34 -0.00 0.00 0.00 178.83 179.70 3juo s ASP 96 N -5.76 6.38 0.19 0.06 -1.08 -1.26 -4.94 116.67 110.25 3juo s ASP 96 Ca -0.05 0.42 0.22 0.00 -0.52 0.00 0.00 52.55 52.62 3juo s ASP 96 Cb 0.14 -2.26 0.90 0.00 -1.46 0.00 0.00 42.92 40.23 3juo s ASP 96 CO 0.50 -0.28 1.67 -0.81 0.52 0.00 0.00 175.17 176.77 3juo n PRO 97 N 5.51 0.15 -0.49 4.34 -0.04 -1.26 -2.12 135.00 141.10 3juo n PRO 97 Ca -0.05 0.35 0.11 0.00 -0.04 0.00 0.00 63.50 63.87 3juo n PRO 97 Cb 0.50 -1.77 0.34 0.00 -0.04 0.00 0.00 33.50 32.53 3juo n PRO 97 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3juo n ASN 98 N -2.06 4.36 -3.91 3.54 3.02 -1.26 -4.30 115.26 114.64 3juo n ASN 98 Ca 0.03 -2.21 -0.27 0.00 -0.03 0.00 0.00 54.58 52.10 3juo n ASN 98 Cb 0.24 -0.54 -0.17 0.00 -0.61 0.00 0.00 39.78 38.70 3juo n ASN 98 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3juo s TRP 99 N -1.41 1.49 0.12 3.10 -0.11 -0.90 0.05 118.94 121.28 3juo s TRP 99 Ca 0.51 -0.73 0.09 0.00 1.22 0.00 0.00 56.10 57.18 3juo s TRP 99 Cb 0.29 -1.23 -0.04 0.00 -1.50 0.00 0.00 33.47 31.00 3juo s TRP 99 CO 0.30 -0.50 -0.21 -0.06 -4.62 0.00 0.00 176.95 171.86 3juo s PHE 100 N 1.64 1.84 0.05 5.86 0.40 0.56 -3.44 117.98 124.89 3juo s PHE 100 Ca 0.04 -0.43 0.09 0.00 -0.60 0.00 0.00 56.93 56.03 3juo s PHE 100 Cb -0.13 -0.98 -0.03 0.00 0.51 0.00 0.00 43.02 42.39 3juo s PHE 100 CO -0.08 0.26 -0.26 -1.58 0.70 0.00 0.00 175.22 174.26 3juo s TRP 101 N -1.42 2.34 -0.06 0.36 0.52 -0.60 -0.75 118.94 119.32 3juo s TRP 101 Ca 0.10 -0.40 0.03 0.00 0.02 0.00 0.00 56.10 55.85 3juo s TRP 101 Cb -0.09 -1.38 0.01 0.00 -1.15 0.00 0.00 33.47 30.86 3juo s TRP 101 CO 0.05 0.16 -0.15 0.08 0.02 0.00 0.00 176.95 177.10 3juo s VAL 102 N -0.84 1.35 -0.15 4.03 1.01 -0.04 0.08 120.40 125.84 3juo s VAL 102 Ca 0.12 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 3juo s VAL 102 Cb -0.10 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 3juo s VAL 102 CO 0.03 0.40 -0.05 -0.70 0.00 0.00 0.00 175.10 174.78 3juo s GLU 103 N 0.45 3.64 0.27 2.72 2.12 -0.53 -1.15 118.70 126.22 3juo s GLU 103 Ca -0.13 -0.54 -0.15 0.00 0.36 0.00 0.00 54.97 54.52 3juo s GLU 103 Cb -0.15 -2.89 0.01 0.00 0.26 0.00 0.00 34.13 31.35 3juo s GLU 103 CO 0.04 0.23 0.56 0.00 -0.54 0.00 0.00 175.26 175.55 3juo s ARG 105 N -3.86 2.83 -0.17 0.00 1.81 -0.35 -1.08 118.95 118.12 3juo s ARG 105 Ca 0.20 -1.25 -0.15 0.00 -1.72 0.00 0.00 55.73 52.81 3juo s ARG 105 Cb -0.02 -2.66 0.05 0.00 -0.45 0.00 0.00 34.95 31.87 3juo s ARG 105 CO 0.09 -0.12 0.46 0.20 -0.68 0.00 0.00 175.30 175.24 3juo s GLY 106 N -4.21 -0.35 0.15 -3.53 0.00 -0.75 -1.32 107.32 97.31 3juo s GLY 106 Ca 0.49 1.38 -0.18 0.00 0.00 0.00 0.00 44.72 46.41 3juo s GLY 106 CO 0.31 1.27 0.48 -1.83 0.00 0.00 0.00 173.10 173.32 3juo s GLU 107 N 0.52 1.18 0.00 2.90 -1.05 -0.84 -1.82 118.70 119.60 3juo s GLU 107 Ca -0.02 -0.67 0.00 0.00 -0.15 0.00 0.00 54.97 54.13 3juo s GLU 107 Cb -0.04 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.16 3juo s GLU 107 CO -0.03 -0.49 0.00 0.41 0.95 0.00 0.00 175.26 176.11 3juo n GLY 108 N -0.29 -0.47 3.77 -3.83 0.00 -0.71 -2.04 105.19 101.63 3juo n GLY 108 Ca -0.15 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 3juo n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3juo s ALA 109 N -2.00 3.52 -0.15 4.61 0.00 -1.26 -0.57 121.76 125.91 3juo s ALA 109 Ca 0.00 1.36 -0.01 0.00 0.00 0.00 0.00 51.96 53.31 3juo s ALA 109 Cb 0.00 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 3juo s ALA 109 CO 0.00 -0.77 -0.12 -1.50 0.00 0.00 0.00 175.76 173.37 3juo s ILE 110 N -1.14 3.01 -0.44 0.00 2.07 -0.73 -4.18 121.20 119.80 3juo s ILE 110 Ca 0.50 -0.66 0.03 0.00 -1.41 0.00 0.00 60.65 59.11 3juo s ILE 110 Cb -0.42 -2.28 0.16 0.00 0.13 0.00 0.00 42.46 40.05 3juo s ILE 110 CO 0.56 0.51 0.33 -0.69 -1.91 0.00 0.00 174.94 173.74 3juo s VAL 111 N 0.59 0.74 -0.06 4.00 1.01 0.37 -1.41 120.40 125.64 3juo s VAL 111 Ca -0.07 -2.68 -0.03 0.00 0.00 0.00 0.00 61.98 59.20 3juo s VAL 111 Cb -0.16 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3juo s VAL 111 CO 0.03 -1.13 0.09 -0.36 0.00 0.00 0.00 175.10 173.73 3juo s PHE 112 N 0.08 3.38 0.12 5.22 2.99 -1.26 -4.29 117.98 124.22 3juo s PHE 112 Ca 0.28 0.32 -0.35 0.00 0.00 0.00 0.00 56.93 57.17 3juo s PHE 112 Cb -0.05 -1.82 -0.16 0.00 0.00 0.00 0.00 43.02 41.00 3juo s PHE 112 CO -0.14 0.60 1.41 -2.30 -0.00 0.00 0.00 175.22 174.79 3juo n PRO 113 N 1.63 1.53 -0.98 0.24 -0.02 -1.26 -2.46 135.00 133.67 3juo n PRO 113 Ca -0.16 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3juo n PRO 113 Cb 0.54 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3juo n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3juo n GLY 114 N 2.77 0.72 3.28 -1.23 0.00 -1.26 -5.01 105.19 104.46 3juo n GLY 114 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 3juo n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3juo s TYR 115 N -2.93 1.83 0.36 1.61 1.51 -1.03 -5.12 117.35 113.58 3juo s TYR 115 Ca 0.00 -0.41 -0.28 0.00 -1.01 0.00 0.00 57.07 55.37 3juo s TYR 115 Cb 0.00 -1.02 -0.11 0.00 -0.11 0.00 0.00 41.96 40.72 3juo s TYR 115 CO 0.00 0.19 1.48 -1.25 -1.11 0.00 0.00 175.55 174.86 3juo s PRO 116 N -1.74 4.14 0.28 -1.71 0.04 -1.26 -4.51 135.00 130.24 3juo s PRO 116 Ca 0.07 2.53 -0.30 0.00 0.04 0.00 0.00 61.00 63.34 3juo s PRO 116 Cb -0.10 -2.99 -0.13 0.00 0.04 0.00 0.00 34.50 31.32 3juo s PRO 116 CO 0.04 -0.51 1.33 -2.13 0.04 0.00 0.00 177.00 175.77 3juo n ARG 117 N 0.79 2.02 -1.67 4.56 0.63 -1.26 -4.81 116.66 116.91 3juo n ARG 117 Ca 0.02 0.72 0.00 0.00 -0.92 0.00 0.00 57.85 57.66 3juo n ARG 117 Cb 0.39 -2.32 0.00 0.00 0.45 0.00 0.00 32.46 30.98 3juo n ARG 117 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3juo n GLY 118 N 1.54 4.29 3.09 5.14 0.00 -0.50 -5.00 105.19 113.75 3juo n GLY 118 Ca 0.09 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 3juo n GLY 118 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3juo s GLN 119 N -1.51 2.61 -0.20 1.61 2.00 -1.26 -1.77 119.66 121.14 3juo s GLN 119 Ca 0.00 -1.02 -0.12 0.00 -2.00 0.00 0.00 55.36 52.22 3juo s GLN 119 Cb 0.00 -2.67 -0.05 0.00 0.80 0.00 0.00 33.01 31.10 3juo s GLN 119 CO 0.00 -0.37 0.21 -0.47 -0.50 0.00 0.00 175.29 174.16 3juo s TYR 120 N 1.23 3.40 0.01 1.67 5.04 0.27 -4.72 117.35 124.25 3juo s TYR 120 Ca -0.01 0.41 0.01 0.00 -2.44 0.00 0.00 57.07 55.04 3juo s TYR 120 Cb -0.16 -2.26 -0.01 0.00 0.35 0.00 0.00 41.96 39.88 3juo s TYR 120 CO -0.10 0.21 -0.04 -0.98 -1.34 0.00 0.00 175.55 173.31 3juo s ARG 121 N 0.60 0.30 0.28 4.97 1.70 -1.26 -1.73 118.95 123.80 3juo s ARG 121 Ca 0.11 -0.33 -0.15 0.00 -0.47 0.00 0.00 55.73 54.89 3juo s ARG 121 Cb -0.12 -0.17 0.01 0.00 -0.57 0.00 0.00 34.95 34.10 3juo s ARG 121 CO 0.02 0.04 0.58 1.21 -1.08 0.00 0.00 175.30 176.07 3juo s ASN 122 N -0.64 -0.06 -0.15 -2.89 3.04 -0.76 -4.81 114.94 108.67 3juo s ASN 122 Ca -0.04 -0.89 -0.05 0.00 0.04 0.00 0.00 52.86 51.91 3juo s ASN 122 Cb -0.05 0.66 -0.04 0.00 -1.54 0.00 0.00 41.25 40.29 3juo s ASN 122 CO -0.00 -1.27 0.03 -2.28 -3.04 0.00 0.00 177.10 170.54 3juo s HIS 123 N -3.75 3.22 0.02 0.43 5.65 -1.26 -1.81 115.29 117.78 3juo s HIS 123 Ca 0.19 0.07 0.04 0.00 0.25 0.00 0.00 55.06 55.61 3juo s HIS 123 Cb -0.03 -1.97 -0.01 0.00 -1.18 0.00 0.00 32.58 29.39 3juo s HIS 123 CO 0.10 0.25 -0.12 -0.06 -0.65 0.00 0.00 174.74 174.25 3juo s PHE 124 N -0.06 1.05 -0.08 3.88 0.40 -0.24 -4.22 117.98 118.70 3juo s PHE 124 Ca 0.05 -0.28 0.02 0.00 -0.60 0.00 0.00 56.93 56.13 3juo s PHE 124 Cb -0.12 -0.65 -0.02 0.00 0.51 0.00 0.00 43.02 42.74 3juo s PHE 124 CO 0.01 0.00 -0.14 -0.51 0.70 0.00 0.00 175.22 175.29 3juo s LEU 125 N -0.72 2.73 -0.05 -0.37 1.43 -0.04 -1.97 118.68 119.70 3juo s LEU 125 Ca 0.02 -0.24 0.05 0.00 -1.03 0.00 0.00 54.13 52.92 3juo s LEU 125 Cb -0.06 -1.58 -0.00 0.00 0.03 0.00 0.00 46.19 44.58 3juo s LEU 125 CO 0.00 0.28 -0.19 -1.00 0.23 0.00 0.00 176.35 175.67 3juo s HIS 126 N -0.31 1.92 -0.20 0.29 3.76 -0.30 -0.22 115.29 120.23 3juo s HIS 126 Ca 0.03 -0.57 -0.07 0.00 -0.15 0.00 0.00 55.06 54.29 3juo s HIS 126 Cb -0.13 -1.29 -0.04 0.00 1.11 0.00 0.00 32.58 32.24 3juo s HIS 126 CO 0.03 -0.19 0.06 0.45 -0.85 0.00 0.00 174.74 174.24 3juo s SER 127 N 0.02 5.49 -0.16 1.40 0.15 -0.31 -0.86 113.70 119.42 3juo s SER 127 Ca -0.05 0.00 0.01 0.00 0.70 0.00 0.00 55.95 56.62 3juo s SER 127 Cb -0.12 -1.95 0.02 0.00 -1.71 0.00 0.00 66.02 62.25 3juo s SER 127 CO 0.03 0.12 -0.18 -0.36 1.20 0.00 0.00 173.24 174.05 3juo s PHE 128 N 0.69 2.49 -0.10 3.44 0.08 0.07 -0.89 117.98 123.76 3juo s PHE 128 Ca 0.03 -1.40 0.02 0.00 0.12 0.00 0.00 56.93 55.70 3juo s PHE 128 Cb -0.13 -1.75 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 3juo s PHE 128 CO 0.02 -0.71 -0.16 1.03 -0.10 0.00 0.00 175.22 175.30 3juo s ARG 129 N 1.26 3.05 0.23 0.44 0.52 -0.06 -0.32 118.95 124.06 3juo s ARG 129 Ca 0.02 -0.74 0.07 0.00 -0.52 0.00 0.00 55.73 54.57 3juo s ARG 129 Cb -0.13 -2.48 -0.04 0.00 0.52 0.00 0.00 34.95 32.82 3juo s ARG 129 CO -0.10 0.32 0.12 -0.06 0.02 0.00 0.00 175.30 175.61 3juo s PHE 130 N 0.04 3.00 -0.16 -0.53 0.08 0.11 -0.97 117.98 119.56 3juo s PHE 130 Ca -0.06 -0.12 -0.05 0.00 0.12 0.00 0.00 56.93 56.82 3juo s PHE 130 Cb -0.15 -1.38 0.08 0.00 -0.57 0.00 0.00 43.02 41.00 3juo s PHE 130 CO 0.05 0.54 0.31 -2.00 -0.10 0.00 0.00 175.22 174.01 3juo s GLU 131 N -3.55 0.20 -1.48 0.44 2.12 -0.12 -4.77 118.70 111.54 3juo s GLU 131 Ca 0.31 0.79 -0.11 0.00 0.36 0.00 0.00 54.97 56.32 3juo s GLU 131 Cb -0.08 -0.01 0.06 0.00 0.26 0.00 0.00 34.13 34.36 3juo s GLU 131 CO 0.23 -0.31 1.00 0.09 -0.54 0.00 0.00 175.26 175.73 3juo n ASN 132 N 5.36 -4.73 0.00 -1.70 3.02 -1.26 -1.66 115.26 114.28 3juo n ASN 132 Ca -0.07 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 3juo n ASN 132 Cb 0.50 -4.14 0.00 0.00 -0.61 0.00 0.00 39.78 35.53 3juo n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3juo n GLY 133 N -1.74 0.30 3.53 7.41 0.00 -1.26 -5.00 105.19 108.43 3juo n GLY 133 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 3juo n GLY 133 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3juo s LEU 134 N 0.00 2.71 -0.25 0.99 1.43 -0.67 -4.91 118.68 117.98 3juo s LEU 134 Ca 0.00 -1.20 -0.28 0.00 -1.03 0.00 0.00 54.13 51.62 3juo s LEU 134 Cb 0.00 -0.96 0.01 0.00 0.03 0.00 0.00 46.19 45.27 3juo s LEU 134 CO 0.00 -0.22 0.99 -0.63 0.23 0.00 0.00 176.35 176.72 3juo s ILE 135 N -2.65 4.69 -0.09 -0.59 1.01 0.48 -0.95 121.20 123.10 3juo s ILE 135 Ca 0.32 1.83 -0.06 0.00 0.00 0.00 0.00 60.65 62.74 3juo s ILE 135 Cb 0.03 -4.28 -0.27 0.00 0.01 0.00 0.00 42.46 37.95 3juo s ILE 135 CO 0.16 -0.22 0.48 0.50 0.00 0.00 0.00 174.94 175.86 3juo h LYS 136 N 7.66 0.27 -2.50 2.79 1.63 -1.36 0.19 116.57 125.25 3juo h LYS 136 Ca -0.20 -0.46 -0.21 0.00 -0.85 0.00 0.00 60.65 58.93 3juo h LYS 136 Cb 1.07 0.17 -0.32 0.00 -0.60 0.00 0.00 32.23 32.55 3juo h LYS 136 CO 0.96 1.17 -0.52 -2.00 -3.45 0.00 0.00 179.45 175.61 3juo s GLU 137 N -2.57 0.23 -0.16 1.90 2.12 -0.85 -0.06 118.70 119.30 3juo s GLU 137 Ca -0.19 0.60 -0.05 0.00 0.36 0.00 0.00 54.97 55.69 3juo s GLU 137 Cb 0.06 -0.39 -0.03 0.00 0.26 0.00 0.00 34.13 34.04 3juo s GLU 137 CO 0.80 -0.46 0.00 -1.14 -0.54 0.00 0.00 175.26 173.92 3juo s GLN 138 N 2.45 3.79 -0.07 4.30 -0.44 0.67 -0.88 119.66 129.47 3juo s GLN 138 Ca 0.05 -0.45 0.03 0.00 -2.50 0.00 0.00 55.36 52.49 3juo s GLN 138 Cb -0.14 -3.03 0.01 0.00 -1.64 0.00 0.00 33.01 28.22 3juo s GLN 138 CO -0.12 0.26 -0.14 1.03 0.50 0.00 0.00 175.29 176.82 3juo s ARG 139 N 0.34 1.95 -0.12 1.67 0.52 -0.07 -2.22 118.95 121.03 3juo s ARG 139 Ca -0.01 -0.50 -0.06 0.00 -0.52 0.00 0.00 55.73 54.64 3juo s ARG 139 Cb -0.13 -1.58 -0.04 0.00 0.52 0.00 0.00 34.95 33.72 3juo s ARG 139 CO 0.02 0.05 0.09 -2.00 0.02 0.00 0.00 175.30 173.48 3juo s GLU 140 N 0.61 3.40 -0.09 3.54 2.12 0.03 -1.16 118.70 127.15 3juo s GLU 140 Ca -0.15 -0.24 0.01 0.00 0.36 0.00 0.00 54.97 54.95 3juo s GLU 140 Cb -0.16 -3.09 0.02 0.00 0.26 0.00 0.00 34.13 31.16 3juo s GLU 140 CO 0.05 0.68 -0.11 -0.06 -0.54 0.00 0.00 175.26 175.28 3juo s PHE 141 N -0.77 1.49 0.07 5.30 0.40 0.70 -0.83 117.98 124.33 3juo s PHE 141 Ca 0.13 -0.63 0.00 0.00 -0.60 0.00 0.00 56.93 55.83 3juo s PHE 141 Cb -0.12 -1.14 -0.00 0.00 0.51 0.00 0.00 43.02 42.27 3juo s PHE 141 CO 0.03 -0.37 0.08 0.00 0.70 0.00 0.00 175.22 175.65 3juo n MET 142 N 4.24 0.11 -3.22 0.44 0.00 -1.26 -0.86 117.12 116.57 3juo n MET 142 Ca -0.19 -0.57 -0.44 0.00 0.00 0.00 0.00 57.70 56.49 3juo n MET 142 Cb 0.51 0.52 -0.06 0.00 0.00 0.00 0.00 33.22 34.19 3juo n MET 142 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 3juo s ASN 143 N -1.43 6.19 0.63 3.17 3.84 -1.26 -4.83 114.94 121.26 3juo s ASN 143 Ca 0.06 -1.21 0.34 0.00 0.21 0.00 0.00 52.86 52.27 3juo s ASN 143 Cb 0.00 -2.26 1.93 0.00 -0.55 0.00 0.00 41.25 40.37 3juo s ASN 143 CO 0.05 -0.88 2.17 -0.65 -2.79 0.00 0.00 177.10 175.00 3juo h PRO 144 N 8.97 0.00 -0.15 0.43 0.11 -1.95 -2.26 132.00 137.14 3juo h PRO 144 Ca -0.28 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 3juo h PRO 144 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3juo h PRO 144 CO 0.98 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.71 3juo h GLU 146 N 0.21 0.03 -0.07 0.00 4.39 -1.75 -1.82 114.58 115.57 3juo h GLU 146 Ca 0.05 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.60 3juo h GLU 146 Cb 0.25 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3juo h GLU 146 CO 0.01 0.54 -0.48 0.37 -1.16 0.00 0.00 179.01 178.29 3juo h GLN 147 N 0.02 0.45 -0.51 2.33 4.15 -1.21 -2.26 115.11 118.09 3juo h GLN 147 Ca -0.00 -0.39 0.10 0.00 0.77 0.00 0.00 58.65 59.12 3juo h GLN 147 Cb 0.92 0.09 -0.10 0.00 0.21 0.00 0.00 27.48 28.60 3juo h GLN 147 CO 0.07 1.03 -0.26 0.74 -1.93 0.00 0.00 178.83 178.49 3juo h PHE 148 N 0.01 -0.67 -0.94 3.99 0.04 -1.02 -1.79 116.94 116.56 3juo h PHE 148 Ca -0.04 0.06 0.05 0.00 2.80 0.00 0.00 57.97 60.84 3juo h PHE 148 Cb 1.15 0.37 -0.06 0.00 2.20 0.00 0.00 35.95 39.61 3juo h PHE 148 CO 0.12 -0.33 0.61 -0.09 -0.60 0.00 0.00 178.31 178.03 3juo h ARG 149 N -0.14 1.09 0.00 1.51 2.43 -1.27 -0.78 114.38 117.23 3juo h ARG 149 Ca 0.23 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3juo h ARG 149 Cb 0.50 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3juo h ARG 149 CO -0.59 0.72 0.00 0.66 -1.51 0.00 0.00 179.97 179.25 3juo h SER 150 N 1.13 0.00 -0.46 -3.80 4.64 -0.72 -2.68 113.55 111.65 3juo h SER 150 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3juo h SER 150 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3juo h SER 150 CO -0.14 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.00 3juo n LEU 151 N -2.98 3.49 0.00 5.97 4.77 -0.39 -4.20 117.00 123.67 3juo n LEU 151 Ca 0.00 -1.57 0.00 0.00 -0.03 0.00 0.00 56.01 54.42 3juo n LEU 151 Cb 0.27 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3juo n LEU 151 CO 0.25 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 3juo n GLY 152 N 1.53 0.64 3.70 -0.72 0.00 -1.01 -4.50 105.19 104.83 3juo n GLY 152 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 3juo n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3juo s ILE 153 N -2.61 5.00 0.21 -0.61 1.01 -0.67 -5.01 121.20 118.52 3juo s ILE 153 Ca 0.00 1.45 -0.31 0.00 0.00 0.00 0.00 60.65 61.79 3juo s ILE 153 Cb 0.00 -4.05 -0.11 0.00 0.01 0.00 0.00 42.46 38.31 3juo s ILE 153 CO 0.00 0.17 1.58 -0.70 0.00 0.00 0.00 174.94 176.00 3juo s GLU 154 N 1.32 4.19 -0.24 2.79 2.56 -1.26 -4.05 118.70 124.00 3juo s GLU 154 Ca 0.36 2.44 -0.09 0.00 0.00 0.00 0.00 54.97 57.68 3juo s GLU 154 Cb -0.17 -3.11 -0.04 0.00 2.00 0.00 0.00 34.13 32.81 3juo s GLU 154 CO 0.15 -0.61 0.11 0.08 -0.56 0.00 0.00 175.26 174.44 3juo s VAL 155 N 0.76 4.81 0.78 3.70 1.01 -1.26 -5.02 120.40 125.18 3juo s VAL 155 Ca 0.68 -0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.53 3juo s VAL 155 Cb -0.45 -3.24 0.07 0.00 0.00 0.00 0.00 36.38 32.75 3juo s VAL 155 CO 0.36 0.34 1.13 -2.16 0.00 0.00 0.00 175.10 174.78 3juo s PRO 156 N 1.31 2.01 -0.18 2.72 0.04 -1.26 -5.02 135.00 134.62 3juo s PRO 156 Ca 0.06 1.43 -0.04 0.00 0.04 0.00 0.00 61.00 62.48 3juo s PRO 156 Cb -0.15 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 3juo s PRO 156 CO 0.05 -1.87 -0.02 -1.21 0.04 0.00 0.00 177.00 173.99 3juo s GLU 157 N -4.49 3.63 -0.15 4.56 2.02 -1.26 -5.09 118.70 117.92 3juo s GLU 157 Ca 0.66 -0.53 -0.26 0.00 0.02 0.00 0.00 54.97 54.87 3juo s GLU 157 Cb -0.22 -2.99 -0.02 0.00 0.10 0.00 0.00 34.13 31.01 3juo s GLU 157 CO 0.52 0.12 0.84 0.08 0.02 0.00 0.00 175.26 176.84 3juo s VAL 158 N 0.69 4.89 -0.22 2.63 1.01 -1.26 -5.03 120.40 123.10 3juo s VAL 158 Ca -0.01 1.67 -0.29 0.00 0.00 0.00 0.00 61.98 63.35 3juo s VAL 158 Cb -0.14 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.09 3juo s VAL 158 CO 0.02 0.05 1.03 -0.13 0.00 0.00 0.00 175.10 176.08 3juo s ARG 159 N 1.95 4.28 -0.87 2.72 0.52 -1.26 -5.00 118.95 121.30 3juo s ARG 159 Ca 0.40 1.35 -0.00 0.00 -0.52 0.00 0.00 55.73 56.96 3juo s ARG 159 Cb -0.17 -3.63 0.23 0.00 0.52 0.00 0.00 34.95 31.90 3juo s ARG 159 CO 0.14 -0.59 0.82 0.54 0.02 0.00 0.00 175.30 176.23 3juo n ARG 160 N 6.16 2.72 -2.62 3.54 1.74 -1.26 -5.09 116.66 121.84 3juo n ARG 160 Ca 0.11 -4.51 -0.34 0.00 -0.77 0.00 0.00 57.85 52.34 3juo n ARG 160 Cb 0.46 -2.39 -0.04 0.00 -1.02 0.00 0.00 32.46 29.47 3juo n ARG 160 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3juo s ASP 161 N -0.73 6.51 0.00 0.55 1.01 -1.26 -2.68 116.67 120.07 3juo s ASP 161 Ca 0.29 1.86 0.00 0.00 0.71 0.00 0.00 52.55 55.41 3juo s ASP 161 Cb -0.03 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.35 3juo s ASP 161 CO -0.10 -0.66 0.00 0.61 0.21 0.00 0.00 175.17 175.23 3juo n GLY 162 N -0.37 2.48 3.68 0.21 0.00 -1.26 -4.99 105.19 104.94 3juo n GLY 162 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 3juo n GLY 162 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3juo n LEU 163 N 0.00 3.87 -4.95 0.99 7.94 -1.09 -4.95 117.00 118.81 3juo n LEU 163 Ca 0.00 0.96 -0.24 0.00 -1.11 0.00 0.00 56.01 55.62 3juo n LEU 163 Cb 0.00 -1.49 0.07 0.00 0.53 0.00 0.00 43.42 42.54 3juo n LEU 163 CO 0.00 0.09 0.55 -2.16 -1.11 0.00 0.00 177.39 174.76 3juo s PRO 164 N 3.55 2.14 0.00 1.96 0.04 -1.26 -5.16 135.00 136.27 3juo s PRO 164 Ca 0.87 -0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.39 3juo s PRO 164 Cb -0.53 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 31.74 3juo s PRO 164 CO 0.43 -1.18 0.00 0.43 0.04 0.00 0.00 177.00 176.72