#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rio s THR 3 N 0.00 2.61 0.36 6.66 2.01 -1.26 -4.90 115.64 121.12 1rio s THR 3 Ca 0.00 0.43 0.27 0.00 0.31 0.00 0.00 61.69 62.70 1rio s THR 3 Cb 0.00 -3.28 0.28 0.00 0.01 0.00 0.00 72.50 69.51 1rio s THR 3 CO 0.00 0.03 2.03 0.50 -0.69 0.00 0.00 174.62 176.49 1rio h LYS 4 N 6.80 0.00 -5.85 4.92 1.63 -2.09 -3.42 116.57 118.57 1rio h LYS 4 Ca -0.43 0.00 -0.64 0.00 -0.85 0.00 0.00 60.65 58.74 1rio h LYS 4 Cb 1.20 0.00 -0.31 0.00 -0.60 0.00 0.00 32.23 32.53 1rio h LYS 4 CO 0.92 0.14 -0.87 0.15 -3.45 0.00 0.00 179.45 176.34 1rio s LYS 5 N -4.10 2.11 -0.09 1.90 1.02 -1.26 -5.13 119.74 114.19 1rio s LYS 5 Ca -0.02 -0.79 -0.05 0.00 0.02 0.00 0.00 55.97 55.13 1rio s LYS 5 Cb 0.13 -1.86 -0.04 0.00 -0.52 0.00 0.00 37.83 35.54 1rio s LYS 5 CO 0.59 0.37 0.12 0.21 -0.92 0.00 0.00 175.35 175.72 1rio s LYS 6 N -0.20 3.33 0.66 1.68 2.20 -1.26 -5.06 119.74 121.09 1rio s LYS 6 Ca -0.00 -0.23 -0.15 0.00 -0.36 0.00 0.00 55.97 55.23 1rio s LYS 6 Cb -0.12 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 1rio s LYS 6 CO 0.02 0.74 1.11 -2.14 -0.36 0.00 0.00 175.35 174.72 1rio s PRO 7 N -1.20 2.81 0.52 4.03 0.02 -1.26 -4.94 135.00 134.97 1rio s PRO 7 Ca 0.17 1.37 -0.17 0.00 0.02 0.00 0.00 61.00 62.39 1rio s PRO 7 Cb -0.12 -1.95 -0.08 0.00 0.02 0.00 0.00 34.50 32.37 1rio s PRO 7 CO 0.07 -1.24 0.99 -0.51 -0.33 0.00 0.00 177.00 175.98 1rio s LEU 8 N -4.90 3.64 0.86 -5.54 1.43 -1.26 -5.05 118.68 107.86 1rio s LEU 8 Ca 0.66 1.61 -0.12 0.00 -1.03 0.00 0.00 54.13 55.25 1rio s LEU 8 Cb -0.20 -4.51 0.11 0.00 0.03 0.00 0.00 46.19 41.62 1rio s LEU 8 CO 0.42 -0.63 1.14 0.42 0.23 0.00 0.00 176.35 177.93 1rio s THR 9 N -2.57 2.16 0.20 5.49 -4.23 -1.26 -4.88 115.64 110.54 1rio s THR 9 Ca 0.60 0.05 -0.10 0.00 -1.18 0.00 0.00 61.69 61.05 1rio s THR 9 Cb -0.11 -2.88 0.13 0.00 1.34 0.00 0.00 72.50 70.99 1rio s THR 9 CO 0.30 -0.07 1.81 -0.61 -0.54 0.00 0.00 174.62 175.52 1rio h GLN 10 N -1.31 1.00 -0.70 3.99 5.75 -2.00 -1.61 115.11 120.23 1rio h GLN 10 Ca -0.49 -0.12 -0.02 0.00 -0.15 0.00 0.00 58.65 57.88 1rio h GLN 10 Cb 1.32 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.65 1rio h GLN 10 CO 0.63 0.75 0.37 1.49 -2.65 0.00 0.00 178.83 179.42 1rio h GLU 11 N 0.98 0.97 -0.11 1.69 4.81 -2.00 -1.77 114.58 119.16 1rio h GLU 11 Ca 0.25 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 1rio h GLU 11 Cb 0.05 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1rio h GLU 11 CO -0.04 0.72 -0.29 1.96 -0.73 0.00 0.00 179.01 180.64 1rio h GLN 12 N 0.98 0.20 -0.40 1.92 4.20 -1.68 -1.38 115.11 118.95 1rio h GLN 12 Ca 0.25 -0.07 -0.15 0.00 0.06 0.00 0.00 58.65 58.73 1rio h GLN 12 Cb 0.04 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1rio h GLN 12 CO -0.04 0.48 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.18 1rio h LEU 13 N 0.18 0.99 -0.23 1.46 3.38 -0.64 -1.21 115.31 119.24 1rio h LEU 13 Ca 0.03 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 1rio h LEU 13 Cb 0.61 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1rio h LEU 13 CO 0.04 1.23 0.02 -0.33 0.09 0.00 0.00 178.44 179.50 1rio h GLU 14 N 0.77 0.39 -0.76 1.13 5.08 -1.24 -0.31 114.58 119.63 1rio h GLU 14 Ca 0.07 -0.11 0.09 0.00 -1.00 0.00 0.00 59.36 58.40 1rio h GLU 14 Cb 0.94 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.08 1rio h GLU 14 CO 0.09 0.54 0.42 -0.44 -1.00 0.00 0.00 179.01 178.62 1rio h ASP 15 N 0.18 0.59 -0.80 1.42 3.32 -1.03 0.15 116.42 120.25 1rio h ASP 15 Ca 0.07 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1rio h ASP 15 Cb 0.35 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 1rio h ASP 15 CO 0.01 0.34 0.44 0.00 -1.72 0.00 0.00 179.24 178.32 1rio h ALA 16 N 1.43 1.26 -0.31 3.45 0.00 -0.33 0.12 119.26 124.89 1rio h ALA 16 Ca 0.36 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1rio h ALA 16 Cb 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1rio h ALA 16 CO -0.24 0.60 -0.04 0.00 0.00 0.00 0.00 179.25 179.57 1rio h ARG 17 N 1.13 0.57 -0.80 0.00 3.08 0.82 0.32 114.38 119.49 1rio h ARG 17 Ca 0.29 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1rio h ARG 17 Cb 0.02 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1rio h ARG 17 CO -0.05 0.73 0.49 0.00 -1.07 0.00 0.00 179.97 180.08 1rio h ARG 18 N 0.35 1.07 0.29 0.04 3.08 -0.40 0.33 114.38 119.14 1rio h ARG 18 Ca 0.08 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1rio h ARG 18 Cb 0.50 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1rio h ARG 18 CO 0.02 0.75 -0.25 1.25 -1.07 0.00 0.00 179.97 180.67 1rio h LEU 19 N 1.09 -0.66 -0.82 3.04 5.85 -0.02 -1.70 115.31 122.09 1rio h LEU 19 Ca 0.29 0.06 0.08 0.00 0.84 0.00 0.00 57.88 59.14 1rio h LEU 19 Cb -0.06 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.12 1rio h LEU 19 CO -0.06 -0.37 0.49 0.50 -0.34 0.00 0.00 178.44 178.66 1rio h LYS 20 N -0.55 0.83 -0.64 1.25 3.64 0.15 -0.77 116.57 120.47 1rio h LYS 20 Ca -0.01 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1rio h LYS 20 Cb 0.50 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1rio h LYS 20 CO -0.03 0.55 0.38 0.00 -2.27 0.00 0.00 179.45 178.08 1rio h ALA 21 N 1.42 1.47 -0.30 5.00 0.00 -0.51 0.12 119.26 126.45 1rio h ALA 21 Ca 0.38 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1rio h ALA 21 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1rio h ALA 21 CO -0.21 0.46 -0.24 0.82 0.00 0.00 0.00 179.25 180.08 1rio h ILE 22 N 0.88 1.27 -0.16 0.00 2.04 -0.25 -1.79 117.51 119.50 1rio h ILE 22 Ca 0.23 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 1rio h ILE 22 Cb -0.03 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1rio h ILE 22 CO -0.04 0.42 0.04 0.22 0.00 0.00 0.00 178.15 178.79 1rio h TYR 23 N 0.51 0.26 -0.96 1.37 3.20 -0.18 -2.42 116.97 118.75 1rio h TYR 23 Ca 0.07 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.96 1rio h TYR 23 Cb 0.69 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.83 1rio h TYR 23 CO 0.03 0.38 0.63 0.93 -1.64 0.00 0.00 178.16 178.48 1rio h GLU 24 N 0.07 1.14 0.00 1.82 4.39 -0.65 0.01 114.58 121.36 1rio h GLU 24 Ca 0.05 -0.07 -0.14 0.00 0.34 0.00 0.00 59.36 59.54 1rio h GLU 24 Cb 0.24 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1rio h GLU 24 CO -0.00 0.75 -0.66 -0.22 -1.16 0.00 0.00 179.01 177.73 1rio h LYS 25 N 1.17 0.00 -0.00 2.33 3.64 -1.23 -3.35 116.57 119.14 1rio h LYS 25 Ca 0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1rio h LYS 25 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1rio h LYS 25 CO -0.14 0.66 -0.01 1.63 -2.27 0.00 0.00 179.45 179.32 1rio n LYS 26 N -3.56 -0.13 -0.15 1.90 5.02 -0.92 -4.66 118.16 115.66 1rio n LYS 26 Ca -0.00 -0.64 0.05 0.00 -2.02 0.00 0.00 58.31 55.69 1rio n LYS 26 Cb 0.69 -1.03 0.35 0.00 -0.02 0.00 0.00 35.03 35.02 1rio n LYS 26 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1rio h LYS 27 N 0.58 0.74 0.26 1.97 2.10 -1.13 -1.84 116.57 119.26 1rio h LYS 27 Ca 0.00 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 1rio h LYS 27 Cb 0.13 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 1rio h LYS 27 CO 0.00 0.49 -0.13 -0.91 -2.00 0.00 0.00 179.45 176.90 1rio h ASN 28 N 0.76 -0.30 -0.08 7.07 4.21 -1.84 0.42 115.58 125.83 1rio h ASN 28 Ca 0.27 -0.23 0.02 0.00 1.21 0.00 0.00 56.30 57.58 1rio h ASN 28 Cb 0.13 0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.40 1rio h ASN 28 CO -0.08 0.12 0.06 1.05 -1.29 0.00 0.00 177.43 177.30 1rio h GLU 29 N -0.78 0.00 -0.02 0.81 4.11 -1.84 -2.19 114.58 114.67 1rio h GLU 29 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1rio h GLU 29 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1rio h GLU 29 CO 0.06 0.00 -0.35 1.28 0.07 0.00 0.00 179.01 180.07 1rio n LEU 30 N -4.26 2.22 -3.55 3.06 4.77 -0.70 -4.98 117.00 113.55 1rio n LEU 30 Ca -0.01 -0.79 -0.20 0.00 -0.03 0.00 0.00 56.01 54.97 1rio n LEU 30 Cb 0.17 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.33 1rio n LEU 30 CO 0.32 0.40 0.11 0.61 -1.33 0.00 0.00 177.39 177.50 1rio n GLY 31 N 1.40 -0.40 3.78 -0.72 0.00 0.13 -4.98 105.19 104.40 1rio n GLY 31 Ca 0.11 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 1rio n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rio s LEU 32 N -6.71 3.88 0.15 0.99 1.43 -0.29 -5.01 118.68 113.13 1rio s LEU 32 Ca 0.19 0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 1rio s LEU 32 Cb -0.09 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 1rio s LEU 32 CO 0.75 0.23 -0.07 -0.94 0.23 0.00 0.00 176.35 176.56 1rio s SER 33 N -1.99 1.57 0.43 2.29 1.04 -1.26 -4.79 113.70 110.99 1rio s SER 33 Ca 0.26 -1.06 0.18 0.00 0.48 0.00 0.00 55.95 55.81 1rio s SER 33 Cb -0.12 0.03 1.11 0.00 0.10 0.00 0.00 66.02 67.14 1rio s SER 33 CO 0.17 -0.42 1.87 1.56 0.98 0.00 0.00 173.24 177.40 1rio h GLN 34 N 2.77 0.36 -0.29 4.02 4.20 -1.98 0.62 115.11 124.81 1rio h GLN 34 Ca -0.36 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.22 1rio h GLN 34 Cb 1.19 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 1rio h GLN 34 CO 0.64 0.24 -0.22 1.49 -0.67 0.00 0.00 178.83 180.31 1rio h GLU 35 N 0.37 0.66 -0.09 1.46 4.22 -1.95 0.43 114.58 119.69 1rio h GLU 35 Ca 0.45 -0.32 -0.22 0.00 0.08 0.00 0.00 59.36 59.35 1rio h GLU 35 Cb 1.16 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.42 1rio h GLU 35 CO -0.16 0.92 -0.84 0.66 -2.18 0.00 0.00 179.01 177.42 1rio h SER 36 N 0.41 0.78 -0.56 1.04 4.64 -0.32 -1.29 113.55 118.24 1rio h SER 36 Ca 0.06 -0.54 0.02 0.00 -0.47 0.00 0.00 61.79 60.85 1rio h SER 36 Cb 0.76 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.59 1rio h SER 36 CO 0.06 1.33 0.36 0.58 -0.87 0.00 0.00 176.83 178.28 1rio h VAL 37 N 0.41 1.10 -0.15 0.95 2.07 -0.55 -0.76 116.25 119.32 1rio h VAL 37 Ca -0.07 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1rio h VAL 37 Cb 1.46 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1rio h VAL 37 CO 0.16 0.13 0.10 0.00 0.02 0.00 0.00 177.57 177.98 1rio h ALA 38 N 1.23 0.19 -0.76 1.67 0.00 0.18 -2.31 119.26 119.47 1rio h ALA 38 Ca 0.22 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.27 1rio h ALA 38 Cb -0.03 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 17.60 1rio h ALA 38 CO -0.07 -0.32 0.23 -0.44 0.00 0.00 0.00 179.25 178.65 1rio h ASP 39 N 0.19 0.11 0.00 0.00 3.32 -0.86 -0.25 116.42 118.94 1rio h ASP 39 Ca 0.05 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1rio h ASP 39 Cb -0.01 0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1rio h ASP 39 CO -0.01 -0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.80 1rio n LYS 40 N -5.11 0.02 -2.71 3.56 5.02 -0.32 -5.11 118.16 113.52 1rio n LYS 40 Ca 0.15 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.37 1rio n LYS 40 Cb 0.47 -1.35 0.10 0.00 -0.02 0.00 0.00 35.03 34.23 1rio n LYS 40 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rio n GLY 42 N 0.84 0.89 3.71 0.72 0.00 -0.11 -5.11 105.19 106.14 1rio n GLY 42 Ca 0.00 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 1rio n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rio s GLY 44 N -1.13 1.70 0.59 -0.02 0.00 -1.26 -5.17 107.32 102.03 1rio s GLY 44 Ca 0.21 -1.66 0.29 0.00 0.00 0.00 0.00 44.72 43.56 1rio s GLY 44 CO -0.08 -1.68 2.25 -1.61 0.00 0.00 0.00 173.10 171.98 1rio h GLN 45 N 1.70 0.00 -0.14 2.90 -0.00 -1.88 -0.82 115.11 116.87 1rio h GLN 45 Ca -0.45 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.05 1rio h GLN 45 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.72 1rio h GLN 45 CO 0.61 0.01 -0.55 0.66 0.00 0.00 0.00 178.83 179.56 1rio h SER 46 N 0.00 0.46 -0.03 -0.69 4.64 -1.98 -1.67 113.55 114.27 1rio h SER 46 Ca -0.00 -0.24 0.03 0.00 -0.47 0.00 0.00 61.79 61.11 1rio h SER 46 Cb 0.02 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 61.92 1rio h SER 46 CO 0.00 0.92 -0.40 1.23 -0.87 0.00 0.00 176.83 177.71 1rio h GLY 47 N 1.22 -0.71 0.95 -0.77 0.00 -1.58 0.33 103.07 102.52 1rio h GLY 47 Ca 0.01 0.49 -0.05 0.00 0.00 0.00 0.00 47.33 47.77 1rio h GLY 47 CO 0.10 -0.24 0.07 -2.08 0.00 0.00 0.00 176.54 174.38 1rio h VAL 48 N -0.54 1.25 -0.62 4.60 2.07 -1.53 -2.34 116.25 119.14 1rio h VAL 48 Ca 0.06 -0.90 0.07 0.00 0.82 0.00 0.00 66.70 66.75 1rio h VAL 48 Cb 0.63 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 1rio h VAL 48 CO -0.33 0.31 0.32 1.23 0.02 0.00 0.00 177.57 179.12 1rio h GLY 49 N 0.57 0.90 0.82 2.17 0.00 -1.18 0.50 103.07 106.85 1rio h GLY 49 Ca 0.13 -0.21 0.04 0.00 0.00 0.00 0.00 47.33 47.29 1rio h GLY 49 CO 0.01 0.10 0.51 0.00 0.00 0.00 0.00 176.54 177.17 1rio h ALA 50 N 1.35 1.08 -0.31 3.60 0.00 -0.69 0.37 119.26 124.67 1rio h ALA 50 Ca 0.29 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 1rio h ALA 50 Cb 0.23 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1rio h ALA 50 CO -0.21 0.30 -0.30 -0.07 0.00 0.00 0.00 179.25 178.98 1rio h LEU 51 N 0.98 0.80 -0.97 0.00 3.38 -0.76 -1.48 115.31 117.25 1rio h LEU 51 Ca 0.34 -0.47 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 1rio h LEU 51 Cb 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1rio h LEU 51 CO -0.13 1.10 -0.43 -0.26 0.09 0.00 0.00 178.44 178.81 1rio h PHE 52 N 0.50 0.21 -0.01 1.13 0.04 0.59 -3.27 116.94 116.13 1rio h PHE 52 Ca 0.05 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1rio h PHE 52 Cb 0.88 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.98 1rio h PHE 52 CO 0.07 0.58 -0.41 0.09 -0.60 0.00 0.00 178.31 178.05 1rio n ASN 53 N -4.01 1.08 0.00 2.17 3.02 0.12 -4.51 115.26 113.13 1rio n ASN 53 Ca -0.02 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 1rio n ASN 53 Cb 0.48 0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.94 1rio n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rio n GLY 54 N 1.40 0.99 0.13 7.41 0.00 -0.91 -4.97 105.19 109.24 1rio n GLY 54 Ca 0.10 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 1rio n GLY 54 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rio n ILE 55 N -2.38 1.65 -5.23 -0.61 2.08 -0.61 -4.73 119.36 109.53 1rio n ILE 55 Ca 0.00 -0.54 -0.31 0.00 0.56 0.00 0.00 62.75 62.46 1rio n ILE 55 Cb 0.10 -1.68 -0.16 0.00 -0.75 0.00 0.00 39.64 37.15 1rio n ILE 55 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 1rio s ASN 56 N -6.89 3.00 0.52 4.38 0.01 -1.01 -4.83 114.94 110.11 1rio s ASN 56 Ca -0.28 -0.50 -0.21 0.00 -0.71 0.00 0.00 52.86 51.16 1rio s ASN 56 Cb 0.08 -0.85 -0.06 0.00 0.41 0.00 0.00 41.25 40.83 1rio s ASN 56 CO 0.68 0.23 1.17 0.00 -1.51 0.00 0.00 177.10 177.67 1rio s ALA 57 N -0.13 2.79 0.61 0.60 0.00 -1.26 -4.32 121.76 120.05 1rio s ALA 57 Ca -0.04 0.93 -0.18 0.00 0.00 0.00 0.00 51.96 52.67 1rio s ALA 57 Cb -0.14 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1rio s ALA 57 CO 0.04 -0.82 1.19 -0.51 0.00 0.00 0.00 175.76 175.66 1rio s LEU 58 N -3.53 3.60 0.41 0.00 1.43 -1.26 -5.00 118.68 114.33 1rio s LEU 58 Ca 0.70 2.34 0.07 0.00 -1.03 0.00 0.00 54.13 56.21 1rio s LEU 58 Cb -0.28 -4.59 -0.08 0.00 0.03 0.00 0.00 46.19 41.28 1rio s LEU 58 CO 0.32 -1.66 0.03 0.54 0.23 0.00 0.00 176.35 175.81 1rio s ASN 59 N -1.75 3.95 0.22 2.29 2.20 -1.26 -5.02 114.94 115.57 1rio s ASN 59 Ca 0.76 -1.34 -0.08 0.00 -0.94 0.00 0.00 52.86 51.26 1rio s ASN 59 Cb -0.29 -0.39 0.27 0.00 -2.00 0.00 0.00 41.25 38.84 1rio s ASN 59 CO 0.35 -0.47 1.81 0.00 -2.94 0.00 0.00 177.10 175.85 1rio h ALA 60 N 1.72 0.94 0.44 3.54 0.00 -1.98 -0.39 119.26 123.53 1rio h ALA 60 Ca -0.44 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1rio h ALA 60 Cb 1.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1rio h ALA 60 CO 0.80 0.05 -0.21 -0.92 0.00 0.00 0.00 179.25 178.97 1rio h TYR 61 N 0.70 -0.54 0.00 0.00 3.20 -1.99 -0.90 116.97 117.43 1rio h TYR 61 Ca 0.32 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 1rio h TYR 61 Cb 0.22 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 1rio h TYR 61 CO -0.08 -0.23 -0.02 -0.91 -1.64 0.00 0.00 178.16 175.28 1rio h ASN 62 N -0.85 0.00 -0.19 -2.11 2.35 -1.95 -1.17 115.58 111.67 1rio h ASN 62 Ca -0.06 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.58 1rio h ASN 62 Cb 0.56 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 1rio h ASN 62 CO 0.10 0.02 -0.32 0.00 -1.65 0.00 0.00 177.43 175.58 1rio h ALA 63 N 1.98 0.29 -0.84 -0.83 0.00 -0.84 -0.90 119.26 118.13 1rio h ALA 63 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1rio h ALA 63 Cb 0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1rio h ALA 63 CO 0.00 0.33 0.53 0.00 0.00 0.00 0.00 179.25 180.12 1rio h ALA 64 N 0.60 1.36 -0.37 0.00 0.00 -0.63 -0.44 119.26 119.79 1rio h ALA 64 Ca 0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1rio h ALA 64 Cb 0.91 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1rio h ALA 64 CO 0.07 0.57 0.04 -0.07 0.00 0.00 0.00 179.25 179.87 1rio h LEU 65 N 1.14 0.60 -0.73 0.00 3.38 -1.05 -0.91 115.31 117.73 1rio h LEU 65 Ca 0.30 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1rio h LEU 65 Cb -0.09 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1rio h LEU 65 CO -0.06 0.72 0.38 -0.07 0.09 0.00 0.00 178.44 179.50 1rio h LEU 66 N 0.45 0.93 -0.57 1.67 3.38 -0.69 -0.68 115.31 119.80 1rio h LEU 66 Ca 0.11 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1rio h LEU 66 Cb 0.39 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1rio h LEU 66 CO 0.01 0.77 0.18 0.00 0.09 0.00 0.00 178.44 179.50 1rio h ALA 67 N 1.19 0.75 -0.72 1.53 0.00 -0.83 -0.10 119.26 121.08 1rio h ALA 67 Ca 0.25 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1rio h ALA 67 Cb 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1rio h ALA 67 CO -0.04 0.41 0.19 0.87 0.00 0.00 0.00 179.25 180.68 1rio h LYS 68 N 0.80 1.14 -0.67 0.00 1.57 -0.63 -0.21 116.57 118.57 1rio h LYS 68 Ca 0.18 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1rio h LYS 68 Cb 0.28 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1rio h LYS 68 CO -0.01 1.00 0.15 0.82 -0.57 0.00 0.00 179.45 180.84 1rio h ILE 69 N 1.08 1.26 -0.02 1.86 5.03 -0.56 -2.99 117.51 123.16 1rio h ILE 69 Ca 0.23 -0.96 0.00 0.00 -0.12 0.00 0.00 64.86 64.01 1rio h ILE 69 Cb 0.36 0.58 0.00 0.00 -3.03 0.00 0.00 36.82 34.73 1rio h ILE 69 CO 0.00 0.37 0.00 0.18 -0.68 0.00 0.00 178.15 178.02 1rio n LEU 70 N -4.23 1.54 -3.68 1.44 4.77 -0.10 -4.97 117.00 111.77 1rio n LEU 70 Ca 0.05 -0.52 -0.26 0.00 -0.03 0.00 0.00 56.01 55.25 1rio n LEU 70 Cb 0.26 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.38 1rio n LEU 70 CO 0.42 0.26 -0.08 0.29 -1.33 0.00 0.00 177.39 176.94 1rio n LYS 71 N 0.21 -2.53 -4.23 3.23 4.76 -0.14 -5.01 118.16 114.45 1rio n LYS 71 Ca 0.19 0.53 -0.16 0.00 -2.87 0.00 0.00 58.31 56.00 1rio n LYS 71 Cb 0.36 -4.63 -0.08 0.00 -1.84 0.00 0.00 35.03 28.84 1rio n LYS 71 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1rio s VAL 72 N -3.58 0.00 0.20 -0.18 -7.23 -0.88 -5.06 120.40 103.67 1rio s VAL 72 Ca 0.29 -1.96 -0.07 0.00 -1.81 0.00 0.00 61.98 58.43 1rio s VAL 72 Cb -0.09 -2.50 -0.06 0.00 0.56 0.00 0.00 36.38 34.28 1rio s VAL 72 CO 0.84 0.00 0.47 -0.94 -0.31 0.00 0.00 175.10 175.16 1rio s SER 73 N -3.28 6.53 0.28 4.85 1.04 -1.26 -4.42 113.70 117.44 1rio s SER 73 Ca 0.39 0.73 0.01 0.00 0.48 0.00 0.00 55.95 57.56 1rio s SER 73 Cb 0.04 -2.15 0.63 0.00 0.10 0.00 0.00 66.02 64.64 1rio s SER 73 CO 0.21 -0.03 1.71 0.58 0.98 0.00 0.00 173.24 176.69 1rio h VAL 74 N 1.92 0.56 0.00 5.02 2.07 -1.92 -1.30 116.25 122.60 1rio h VAL 74 Ca -0.47 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1rio h VAL 74 Cb 1.17 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1rio h VAL 74 CO 0.70 0.08 0.00 -1.84 0.02 0.00 0.00 177.57 176.53 1rio n GLU 75 N -5.01 0.05 0.12 1.57 0.00 -1.26 -1.05 120.64 115.07 1rio n GLU 75 Ca 0.19 0.27 0.13 0.00 0.00 0.00 0.00 57.16 57.75 1rio n GLU 75 Cb 0.56 -1.50 0.37 0.00 0.00 0.00 0.00 31.44 30.87 1rio n GLU 75 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1rio h GLU 76 N 0.00 0.00 0.00 3.44 5.08 -1.63 -3.37 114.58 118.11 1rio h GLU 76 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1rio h GLU 76 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1rio h GLU 76 CO 0.00 0.00 -0.92 1.97 -1.00 0.00 0.00 179.01 179.06 1rio n PHE 77 N -2.38 0.00 -3.44 4.33 1.16 -0.22 -4.88 117.46 112.04 1rio n PHE 77 Ca 0.05 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.39 1rio n PHE 77 Cb 0.45 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.20 1rio n PHE 77 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1rio s SER 78 N -2.69 2.45 0.59 5.98 0.15 -0.21 -4.24 113.70 115.72 1rio s SER 78 Ca 0.00 -1.76 0.33 0.00 0.70 0.00 0.00 55.95 55.21 1rio s SER 78 Cb 0.00 -0.05 1.84 0.00 -1.71 0.00 0.00 66.02 66.10 1rio s SER 78 CO 0.00 -0.32 2.22 -0.65 1.20 0.00 0.00 173.24 175.69 1rio h PRO 79 N 7.34 0.00 0.17 5.44 0.11 -1.79 -1.65 132.00 141.62 1rio h PRO 79 Ca 0.00 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.80 1rio h PRO 79 Cb 1.01 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.13 1rio h PRO 79 CO 0.28 0.03 -1.45 0.66 -0.21 0.00 0.00 178.00 177.31 1rio h SER 80 N 0.00 0.57 -0.32 -2.05 4.64 -1.95 -1.97 113.55 112.47 1rio h SER 80 Ca -0.00 -0.67 -0.15 0.00 -0.47 0.00 0.00 61.79 60.50 1rio h SER 80 Cb 0.12 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1rio h SER 80 CO 0.00 1.54 -0.34 0.40 -0.87 0.00 0.00 176.83 177.56 1rio h ILE 81 N 0.10 1.28 -0.45 0.95 2.04 -1.90 -1.56 117.51 117.97 1rio h ILE 81 Ca -0.22 -1.51 -0.04 0.00 1.00 0.00 0.00 64.86 64.09 1rio h ILE 81 Cb 2.06 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 39.47 1rio h ILE 81 CO 0.21 0.50 0.13 0.00 0.00 0.00 0.00 178.15 178.99 1rio h ALA 82 N 0.89 1.38 -0.59 1.87 0.00 -1.29 -0.29 119.26 121.24 1rio h ALA 82 Ca 0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1rio h ALA 82 Cb 0.91 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1rio h ALA 82 CO 0.08 0.45 0.24 -0.09 0.00 0.00 0.00 179.25 179.94 1rio h ARG 83 N 0.65 0.87 -0.87 0.00 2.43 -1.00 -1.04 114.38 115.43 1rio h ARG 83 Ca 0.15 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1rio h ARG 83 Cb 0.22 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 1rio h ARG 83 CO -0.01 0.74 0.56 1.49 -1.51 0.00 0.00 179.97 181.24 1rio h GLU 84 N 0.81 1.15 -0.21 0.20 4.81 -0.40 -1.19 114.58 119.74 1rio h GLU 84 Ca 0.20 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1rio h GLU 84 Cb 0.19 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1rio h GLU 84 CO -0.02 0.78 0.10 0.82 -0.73 0.00 0.00 179.01 179.96 1rio h ILE 85 N 1.18 1.14 -0.59 2.32 2.04 -0.41 -3.04 117.51 120.14 1rio h ILE 85 Ca 0.32 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1rio h ILE 85 Cb -0.11 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1rio h ILE 85 CO -0.07 0.14 0.25 0.22 0.00 0.00 0.00 178.15 178.69 1rio h TYR 86 N 0.21 0.89 0.00 1.37 3.20 -0.82 -1.10 116.97 120.71 1rio h TYR 86 Ca 0.07 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1rio h TYR 86 Cb 0.13 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.13 1rio h TYR 86 CO -0.02 0.71 0.00 0.39 -1.64 0.00 0.00 178.16 177.59 1rio n GLU 87 N -4.48 0.03 0.00 1.82 1.02 -0.48 -0.89 120.64 117.66 1rio n GLU 87 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1rio n GLU 87 Cb 0.15 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1rio n GLU 87 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1rio n TYR 89 N 1.07 0.00 0.27 -0.32 9.36 -0.42 -3.25 117.16 123.87 1rio n TYR 89 Ca 0.00 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.32 1rio n TYR 89 Cb 0.01 0.00 0.70 0.00 -0.63 0.00 0.00 39.34 39.43 1rio n TYR 89 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1rio h GLU 90 N 0.00 0.00 0.00 2.98 5.08 -1.29 0.01 114.58 121.36 1rio h GLU 90 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1rio h GLU 90 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1rio h GLU 90 CO 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 179.01 178.04 1rio h ALA 91 N 1.97 1.00 0.12 3.43 0.00 -1.83 -1.23 119.26 122.72 1rio h ALA 91 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 1rio h ALA 91 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1rio h ALA 91 CO 0.00 0.00 -1.64 0.28 0.00 0.00 0.00 179.25 177.89 1rio h VAL 92 N 0.00 1.02 0.33 0.00 2.07 -1.35 -3.39 116.25 114.93 1rio h VAL 92 Ca 0.00 -2.69 -0.02 0.00 0.82 0.00 0.00 66.70 64.82 1rio h VAL 92 Cb 0.74 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 1rio h VAL 92 CO 0.00 0.80 -0.16 0.45 0.02 0.00 0.00 177.57 178.69 1rio h HIS 93 N 0.07 -0.40 -4.10 1.57 -0.00 -1.23 -3.46 115.15 107.60 1rio h HIS 93 Ca -0.28 -0.01 -0.51 0.00 -0.00 0.00 0.00 60.37 59.56 1rio h HIS 93 Cb 2.03 0.13 0.09 0.00 -0.00 0.00 0.00 27.41 29.66 1rio h HIS 93 CO 0.06 -0.07 0.45 -1.01 -0.00 0.00 0.00 177.93 177.36 1rio s HIS 94 N -4.43 2.54 -1.46 2.45 3.76 -0.48 -4.36 115.29 113.32 1rio s HIS 94 Ca -0.14 1.53 -0.07 0.00 -0.15 0.00 0.00 55.06 56.23 1rio s HIS 94 Cb 0.02 -3.37 0.01 0.00 1.11 0.00 0.00 32.58 30.36 1rio s HIS 94 CO 0.51 -1.86 0.90 0.72 -0.85 0.00 0.00 174.74 174.16 1rio n HIS 95 N -1.49 -2.42 -1.93 1.40 8.25 -1.26 -4.92 115.22 112.85 1rio n HIS 95 Ca 0.12 0.78 -0.39 0.00 -0.26 0.00 0.00 57.72 57.98 1rio n HIS 95 Cb 0.50 -4.68 0.02 0.00 1.12 0.00 0.00 29.99 26.95 1rio n HIS 95 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1rio s HIS 96 N -3.25 2.53 0.27 4.41 2.46 -1.26 -5.06 115.29 115.39 1rio s HIS 96 Ca 0.46 1.39 -0.18 0.00 0.47 0.00 0.00 55.06 57.20 1rio s HIS 96 Cb -0.21 -3.72 0.01 0.00 -0.13 0.00 0.00 32.58 28.54 1rio s HIS 96 CO 0.57 -2.49 0.64 -1.01 -2.47 0.00 0.00 174.74 169.98 1rio s HIS 97 N -1.32 0.00 0.00 3.88 3.76 -1.26 -5.25 115.29 115.09 1rio s HIS 97 Ca 0.65 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 55.13 1rio s HIS 97 Cb -0.38 0.53 0.00 0.00 1.11 0.00 0.00 32.58 33.84 1rio s HIS 97 CO 0.47 -1.16 0.00 1.58 -0.85 0.00 0.00 174.74 174.78