#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roa s ASP 2 N 0.00 4.68 -1.46 0.00 -4.77 -1.26 -4.31 116.67 109.55 2roa s ASP 2 Ca 0.00 0.34 -0.08 0.00 -3.30 0.00 0.00 52.55 49.52 2roa s ASP 2 Cb 0.00 -0.94 0.02 0.00 -1.09 0.00 0.00 42.92 40.91 2roa s ASP 2 CO 0.00 -1.67 0.87 -0.38 0.70 0.00 0.00 175.17 174.69 2roa n ILE 3 N -2.94 -2.35 -0.20 2.11 5.41 -1.26 -4.88 119.36 115.24 2roa n ILE 3 Ca 0.09 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.77 2roa n ILE 3 Cb 0.60 -3.54 0.03 0.00 -0.71 0.00 0.00 39.64 36.02 2roa n ILE 3 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 176.55 176.72 2roa h LEU 4 N -1.97 0.70-10.15 1.39 -0.00 -2.10 -3.43 115.31 99.74 2roa h LEU 4 Ca -0.55 -0.07 -0.48 0.00 -0.00 0.00 0.00 57.88 56.79 2roa h LEU 4 Cb 1.37 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.83 2roa h LEU 4 CO 0.57 0.57 -0.40 -0.94 -0.00 0.00 0.00 178.44 178.24 2roa s SER 5 N -5.84 5.50 -0.30 0.17 1.04 -1.26 -5.05 113.70 107.96 2roa s SER 5 Ca -0.13 -0.41 0.12 0.00 0.48 0.00 0.00 55.95 56.01 2roa s SER 5 Cb 0.13 -1.02 0.47 0.00 0.10 0.00 0.00 66.02 65.69 2roa s SER 5 CO 0.76 -0.41 1.15 -0.62 0.98 0.00 0.00 173.24 175.10 2roa n GLU 6 N -1.48 2.98 -0.07 4.02 1.02 -1.26 -4.82 120.64 121.02 2roa n GLU 6 Ca -0.01 -3.99 -0.05 0.00 -0.02 0.00 0.00 57.16 53.09 2roa n GLU 6 Cb 0.59 -2.05 -0.02 0.00 -0.02 0.00 0.00 31.44 29.95 2roa n GLU 6 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2roa n GLU 7 N -0.62 0.45 -0.08 3.49 -0.58 -1.26 -3.52 120.64 118.52 2roa n GLU 7 Ca 0.32 0.48 -0.00 0.00 -0.42 0.00 0.00 57.16 57.54 2roa n GLU 7 Cb 0.88 -1.63 0.28 0.00 -0.57 0.00 0.00 31.44 30.40 2roa n GLU 7 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 2roa h GLN 8 N -0.97 0.71 -0.47 3.49 3.07 -1.99 -2.13 115.11 116.81 2roa h GLN 8 Ca 0.00 -0.10 -0.02 0.00 0.09 0.00 0.00 58.65 58.61 2roa h GLN 8 Cb 0.56 -0.13 -0.02 0.00 0.08 0.00 0.00 27.48 27.97 2roa h GLN 8 CO 0.00 0.59 0.20 0.82 0.09 0.00 0.00 178.83 180.53 2roa h ILE 9 N 0.70 1.20 -0.21 1.86 2.04 -1.88 0.58 117.51 121.81 2roa h ILE 9 Ca 0.17 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 2roa h ILE 9 Cb 0.15 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2roa h ILE 9 CO -0.02 0.23 0.13 0.58 0.00 0.00 0.00 178.15 179.08 2roa h VAL 10 N 0.62 1.08 -0.32 1.67 2.07 -1.48 1.11 116.25 121.01 2roa h VAL 10 Ca 0.16 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 2roa h VAL 10 Cb 0.17 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2roa h VAL 10 CO -0.02 0.08 0.05 -0.78 0.02 0.00 0.00 177.57 176.92 2roa h ASP 11 N 0.26 0.50 -0.16 0.57 1.82 -1.19 0.14 116.42 118.37 2roa h ASP 11 Ca 0.08 -0.26 -0.01 0.00 -0.39 0.00 0.00 57.03 56.45 2roa h ASP 11 Cb 0.02 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.88 2roa h ASP 11 CO -0.01 0.64 0.08 -0.26 -1.61 0.00 0.00 179.24 178.07 2roa h PHE 12 N 0.35 0.23 -0.45 0.28 -1.00 0.46 -1.40 116.94 115.41 2roa h PHE 12 Ca 0.10 -0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.83 2roa h PHE 12 Cb 0.35 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 39.82 2roa h PHE 12 CO 0.02 0.26 0.14 -0.22 -1.61 0.00 0.00 178.31 176.90 2roa h LYS 13 N 0.14 0.66 -0.52 1.51 3.64 0.14 -1.47 116.57 120.67 2roa h LYS 13 Ca 0.06 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 2roa h LYS 13 Cb 0.11 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2roa h LYS 13 CO -0.01 0.58 0.11 1.49 -2.27 0.00 0.00 179.45 179.36 2roa h GLU 14 N 0.65 0.80 -0.35 1.90 4.57 -0.28 0.00 114.58 121.89 2roa h GLU 14 Ca 0.15 -0.17 -0.12 0.00 -1.18 0.00 0.00 59.36 58.04 2roa h GLU 14 Cb 0.20 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2roa h GLU 14 CO -0.01 0.74 -0.28 0.00 -1.18 0.00 0.00 179.01 178.28 2roa h ALA 15 N 1.35 0.86 -0.06 2.92 0.00 -0.34 -1.91 119.26 122.07 2roa h ALA 15 Ca 0.17 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2roa h ALA 15 Cb 0.31 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2roa h ALA 15 CO 0.00 0.63 -0.01 0.35 0.00 0.00 0.00 179.25 180.22 2roa h PHE 16 N 0.62 0.13 -0.79 0.00 3.57 -0.63 -1.54 116.94 118.31 2roa h PHE 16 Ca 0.08 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.58 2roa h PHE 16 Cb 0.79 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 2roa h PHE 16 CO 0.04 0.45 0.50 0.78 -2.23 0.00 0.00 178.31 177.85 2roa h GLY 17 N -0.23 1.14 1.12 2.40 0.00 -0.99 0.13 103.07 106.64 2roa h GLY 17 Ca 0.01 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 2roa h GLY 17 CO 0.01 0.33 0.36 -2.00 0.00 0.00 0.00 176.54 175.23 2roa h LEU 18 N 0.98 1.03 -0.71 3.11 5.85 -1.29 -2.44 115.31 121.83 2roa h LEU 18 Ca 0.32 -0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.79 2roa h LEU 18 Cb 0.01 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 2roa h LEU 18 CO -0.11 0.88 -0.28 -0.26 -0.34 0.00 0.00 178.44 178.32 2roa h PHE 19 N 1.11 0.78 -0.65 1.25 -1.00 -0.19 -3.12 116.94 115.12 2roa h PHE 19 Ca 0.27 -0.19 -0.42 0.00 2.81 0.00 0.00 57.97 60.43 2roa h PHE 19 Cb 0.14 -0.18 -0.12 0.00 3.61 0.00 0.00 35.95 39.39 2roa h PHE 19 CO 0.01 0.89 0.48 -3.47 -1.61 0.00 0.00 178.31 174.61 2roa n ASP 20 N -4.09 6.31 -0.56 2.17 2.03 0.35 -4.72 116.55 118.04 2roa n ASP 20 Ca -0.01 -2.92 0.43 0.00 0.52 0.00 0.00 54.79 52.81 2roa n ASP 20 Cb 0.46 -1.33 0.66 0.00 -0.72 0.00 0.00 41.12 40.19 2roa n ASP 20 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2roa n LYS 21 N 1.65 -0.00 0.18 -0.67 4.76 -1.18 0.30 118.16 123.19 2roa n LYS 21 Ca 0.50 0.90 0.03 0.00 -2.87 0.00 0.00 58.31 56.87 2roa n LYS 21 Cb 0.63 -2.05 0.32 0.00 -1.84 0.00 0.00 35.03 32.10 2roa n LYS 21 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2roa h ASP 22 N 0.00 0.00 0.00 4.39 3.32 -1.88 -3.47 116.42 118.78 2roa h ASP 22 Ca 0.77 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.82 2roa h ASP 22 Cb 3.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.57 2roa h ASP 22 CO -0.05 0.42 0.00 0.61 -1.72 0.00 0.00 179.24 178.50 2roa n GLY 23 N -0.00 0.55 0.21 2.75 0.00 0.87 -4.89 105.19 104.68 2roa n GLY 23 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.16 2roa n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2roa h ASP 24 N 0.00 0.00 0.00 1.61 2.03 -1.91 -3.46 116.42 114.69 2roa h ASP 24 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2roa h ASP 24 Cb 0.03 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 2roa h ASP 24 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 2roa n GLY 25 N -0.16 0.69 3.05 7.15 0.00 -1.26 -5.04 105.19 109.61 2roa n GLY 25 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 2roa n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2roa s ILE 27 N 0.65 5.23 0.69 0.00 1.01 -0.85 -4.94 121.20 122.98 2roa s ILE 27 Ca -0.15 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.08 2roa s ILE 27 Cb -0.16 -3.73 0.02 0.00 0.01 0.00 0.00 42.46 38.60 2roa s ILE 27 CO 0.04 -0.07 1.05 0.42 0.00 0.00 0.00 174.94 176.38 2roa s THR 28 N 1.71 3.25 0.30 2.92 -4.23 -1.26 -0.75 115.64 117.58 2roa s THR 28 Ca 0.06 0.22 -0.00 0.00 -1.18 0.00 0.00 61.69 60.79 2roa s THR 28 Cb -0.18 -3.37 0.27 0.00 1.34 0.00 0.00 72.50 70.57 2roa s THR 28 CO 0.10 -0.45 1.93 1.62 -0.54 0.00 0.00 174.62 177.27 2roa h VAL 29 N -0.56 1.11 -0.89 2.29 3.04 -1.95 0.15 116.25 119.44 2roa h VAL 29 Ca -0.45 -0.37 -0.01 0.00 -1.01 0.00 0.00 66.70 64.86 2roa h VAL 29 Cb 1.27 -0.05 -0.04 0.00 -2.01 0.00 0.00 31.29 30.46 2roa h VAL 29 CO 0.63 0.20 0.52 -0.33 -1.01 0.00 0.00 177.57 177.57 2roa h GLU 30 N 1.07 1.22 -0.29 4.17 5.08 -1.93 0.61 114.58 124.51 2roa h GLU 30 Ca 0.37 -0.12 -0.16 0.00 -1.00 0.00 0.00 59.36 58.44 2roa h GLU 30 Cb 0.10 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 2roa h GLU 30 CO -0.12 0.87 -0.48 0.93 -1.00 0.00 0.00 179.01 179.21 2roa h GLU 31 N 1.23 0.77 -0.43 2.33 5.08 -1.59 -2.06 114.58 119.91 2roa h GLU 31 Ca 0.32 -0.45 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2roa h GLU 31 Cb -0.02 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2roa h GLU 31 CO -0.06 1.07 0.26 1.25 -1.00 0.00 0.00 179.01 180.53 2roa h LEU 32 N 0.61 0.52 -0.88 1.33 7.12 -0.12 0.39 115.31 124.27 2roa h LEU 32 Ca 0.03 -0.06 0.05 0.00 0.13 0.00 0.00 57.88 58.03 2roa h LEU 32 Cb 1.05 -0.13 -0.06 0.00 -0.53 0.00 0.00 40.66 40.99 2roa h LEU 32 CO 0.10 0.43 0.56 0.00 -0.13 0.00 0.00 178.44 179.40 2roa h ALA 33 N 1.11 1.19 -0.55 1.25 0.00 -0.75 0.47 119.26 121.98 2roa h ALA 33 Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2roa h ALA 33 Cb 0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2roa h ALA 33 CO -0.03 0.35 0.27 1.15 0.00 0.00 0.00 179.25 180.99 2roa h THR 34 N 1.04 1.20 -0.16 0.00 2.02 -0.61 1.67 112.91 118.07 2roa h THR 34 Ca 0.37 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 2roa h THR 34 Cb 0.11 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2roa h THR 34 CO -0.15 0.22 0.00 0.58 0.37 0.00 0.00 175.52 176.55 2roa h VAL 35 N 0.74 1.25 -0.49 3.16 2.07 0.27 -1.35 116.25 121.90 2roa h VAL 35 Ca 0.19 -0.83 -0.11 0.00 0.82 0.00 0.00 66.70 66.78 2roa h VAL 35 Cb 0.11 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 2roa h VAL 35 CO -0.03 0.25 -0.12 0.40 0.02 0.00 0.00 177.57 178.09 2roa h ILE 36 N 0.03 1.26 -0.89 4.57 1.08 0.08 0.24 117.51 123.89 2roa h ILE 36 Ca 0.05 -1.24 0.04 0.00 -0.39 0.00 0.00 64.86 63.32 2roa h ILE 36 Cb 0.37 1.01 -0.05 0.00 -3.07 0.00 0.00 36.82 35.08 2roa h ILE 36 CO 0.01 0.43 0.57 -0.09 -0.69 0.00 0.00 178.15 178.38 2roa h ARG 37 N 0.81 1.07 0.00 2.37 2.43 0.26 -1.32 114.38 120.01 2roa h ARG 37 Ca 0.13 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2roa h ARG 37 Cb 0.65 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2roa h ARG 37 CO 0.04 0.71 -0.44 0.45 -1.51 0.00 0.00 179.97 179.22 2roa n SER 38 N -4.53 0.58 -0.22 -3.80 2.88 -0.52 -4.00 113.62 104.00 2roa n SER 38 Ca 0.11 0.12 -0.08 0.00 -1.33 0.00 0.00 58.87 57.69 2roa n SER 38 Cb 0.10 -0.01 0.03 0.00 -0.75 0.00 0.00 64.21 63.57 2roa n SER 38 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2roa h LEU 39 N 0.00 0.96 0.00 2.46 6.46 0.68 -3.46 115.31 122.41 2roa h LEU 39 Ca 0.00 -0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.50 2roa h LEU 39 Cb 0.65 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 2roa h LEU 39 CO 0.00 0.97 0.00 0.47 -0.62 0.00 0.00 178.44 179.26 2roa n ASP 40 N -4.30 0.00 -3.70 1.25 8.00 -1.17 -5.08 116.55 111.56 2roa n ASP 40 Ca 0.03 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.44 2roa n ASP 40 Cb 0.27 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 2roa n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2roa s GLN 41 N 0.00 1.77 -0.48 -1.24 -2.07 -1.19 -5.10 119.66 111.36 2roa s GLN 41 Ca 0.00 -1.27 0.06 0.00 -1.82 0.00 0.00 55.36 52.33 2roa s GLN 41 Cb 0.00 0.53 0.20 0.00 -1.09 0.00 0.00 33.01 32.66 2roa s GLN 41 CO 0.00 -0.78 0.66 0.27 -1.32 0.00 0.00 175.29 174.13 2roa n ASN 42 N -0.69 -2.38 -3.73 12.60 0.23 -1.26 -3.23 115.26 116.79 2roa n ASN 42 Ca -0.03 -2.87 -0.24 0.00 -0.53 0.00 0.00 54.58 50.91 2roa n ASN 42 Cb 0.61 1.07 0.18 0.00 -2.08 0.00 0.00 39.78 39.56 2roa n ASN 42 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 2roa n PRO 43 N 2.49 -2.54 -2.47 -0.53 -0.02 -1.26 -4.98 135.00 125.69 2roa n PRO 43 Ca 0.19 -0.75 -0.27 0.00 -2.02 0.00 0.00 63.50 60.65 2roa n PRO 43 Cb 0.56 -1.61 0.01 0.00 -0.02 0.00 0.00 33.50 32.43 2roa n PRO 43 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2roa s THR 44 N -2.13 4.43 0.31 3.45 2.01 -1.26 -4.84 115.64 117.62 2roa s THR 44 Ca 0.47 0.19 0.08 0.00 0.31 0.00 0.00 61.69 62.74 2roa s THR 44 Cb -0.09 -3.72 0.31 0.00 0.01 0.00 0.00 72.50 69.01 2roa s THR 44 CO 0.46 -0.74 1.70 -0.33 -0.69 0.00 0.00 174.62 175.02 2roa h GLU 45 N 0.03 0.43 -0.06 4.92 3.07 -1.98 0.99 114.58 121.97 2roa h GLU 45 Ca -0.46 -0.03 0.04 0.00 -0.50 0.00 0.00 59.36 58.41 2roa h GLU 45 Cb 1.22 -0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 28.99 2roa h GLU 45 CO 0.61 0.28 -0.21 0.93 -1.40 0.00 0.00 179.01 179.22 2roa h GLU 46 N 0.44 -0.30 -0.82 2.33 5.08 -1.98 0.76 114.58 120.09 2roa h GLU 46 Ca 0.63 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.99 2roa h GLU 46 Cb 1.25 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.53 2roa h GLU 46 CO -0.53 -0.20 0.42 0.93 -1.00 0.00 0.00 179.01 178.63 2roa h GLU 47 N -0.31 1.16 -0.34 2.33 5.08 -1.24 0.95 114.58 122.20 2roa h GLU 47 Ca 0.08 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2roa h GLU 47 Cb 0.42 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2roa h GLU 47 CO -0.24 0.87 0.16 -0.07 -1.00 0.00 0.00 179.01 178.73 2roa h LEU 48 N 1.15 0.46 -0.14 1.33 4.07 -0.26 0.74 115.31 122.65 2roa h LEU 48 Ca 0.28 -0.14 -0.05 0.00 0.08 0.00 0.00 57.88 58.05 2roa h LEU 48 Cb 0.07 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 41.69 2roa h LEU 48 CO -0.04 0.47 -0.12 -0.61 -1.08 0.00 0.00 178.44 177.06 2roa h GLN 49 N 0.42 0.34 -0.58 1.13 4.15 0.93 0.25 115.11 121.74 2roa h GLN 49 Ca 0.12 -0.17 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 2roa h GLN 49 Cb 0.14 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 2roa h GLN 49 CO -0.01 0.71 0.22 -0.44 -1.93 0.00 0.00 178.83 177.37 2roa h ASP 50 N -0.03 0.78 -0.18 -0.69 3.32 0.11 1.07 116.42 120.80 2roa h ASP 50 Ca 0.03 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 2roa h ASP 50 Cb 0.63 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 2roa h ASP 50 CO 0.03 0.71 -0.14 -0.03 -1.72 0.00 0.00 179.24 178.10 2roa h MET 51 N 0.84 0.41 -0.33 3.56 4.05 0.57 0.83 114.93 124.86 2roa h MET 51 Ca 0.20 -0.20 -0.04 0.00 -0.28 0.00 0.00 59.70 59.37 2roa h MET 51 Cb 0.19 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 2roa h MET 51 CO -0.02 0.75 0.03 0.82 0.23 0.00 0.00 176.91 178.72 2roa h ILE 52 N 0.08 1.25 -0.97 1.77 2.04 -0.55 -2.71 117.51 118.42 2roa h ILE 52 Ca 0.03 -0.88 0.03 0.00 1.00 0.00 0.00 64.86 65.04 2roa h ILE 52 Cb 0.65 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 2roa h ILE 52 CO 0.04 0.29 0.64 0.28 0.00 0.00 0.00 178.15 179.39 2roa h SER 53 N 0.38 1.07 -0.83 1.72 0.02 0.12 1.70 113.55 117.74 2roa h SER 53 Ca 0.10 -0.02 0.22 0.00 -0.84 0.00 0.00 61.79 61.25 2roa h SER 53 Cb 0.39 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 2roa h SER 53 CO 0.01 0.75 0.58 -0.08 -1.14 0.00 0.00 176.83 176.95 2roa h GLU 54 N 1.25 0.12 0.00 3.45 4.57 -0.49 -2.84 114.58 120.63 2roa h GLU 54 Ca 0.37 -0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 58.36 2roa h GLU 54 Cb -0.04 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.48 2roa h GLU 54 CO -0.10 0.08 -1.71 1.55 -1.18 0.00 0.00 179.01 177.64 2roa n VAL 55 N -4.36 0.72 -1.53 0.32 3.14 -0.40 -4.80 118.33 111.41 2roa n VAL 55 Ca 0.17 -0.40 -0.26 0.00 -2.96 0.00 0.00 64.34 60.88 2roa n VAL 55 Cb 0.82 -0.78 -0.09 0.00 -1.06 0.00 0.00 33.84 32.72 2roa n VAL 55 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2roa n ASP 56 N -2.50 1.98 -0.02 6.55 -0.08 0.57 -4.63 116.55 118.42 2roa n ASP 56 Ca -0.18 -2.58 0.21 0.00 -1.51 0.00 0.00 54.79 50.73 2roa n ASP 56 Cb 0.81 -1.49 0.70 0.00 2.34 0.00 0.00 41.12 43.48 2roa n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2roa h ALA 57 N 10.37 2.55 0.00 -1.67 0.00 -1.85 0.12 119.26 128.78 2roa h ALA 57 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2roa h ALA 57 Cb 0.90 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2roa h ALA 57 CO 1.33 -0.71 -1.15 -0.40 0.00 0.00 0.00 179.25 178.32 2roa n ASP 58 N -4.36 0.66 -2.78 0.00 5.75 -1.26 -4.99 116.55 109.57 2roa n ASP 58 Ca 0.11 0.18 -0.16 0.00 -0.01 0.00 0.00 54.79 54.91 2roa n ASP 58 Cb 0.65 0.74 0.06 0.00 -1.03 0.00 0.00 41.12 41.54 2roa n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2roa n GLY 59 N 1.23 -0.15 0.10 6.12 0.00 0.40 -4.92 105.19 107.97 2roa n GLY 59 Ca -0.00 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2roa n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2roa h ASN 60 N -1.83 0.00 0.00 1.61 -1.07 -1.94 -3.47 115.58 108.88 2roa h ASN 60 Ca -0.42 -0.12 0.00 0.00 0.07 0.00 0.00 56.30 55.83 2roa h ASN 60 Cb 1.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.52 2roa h ASN 60 CO 0.40 0.06 0.00 0.61 0.07 0.00 0.00 177.43 178.57 2roa n GLY 61 N 1.27 0.69 3.00 9.14 0.00 -1.26 -5.06 105.19 112.97 2roa n GLY 61 Ca 0.03 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 2roa n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2roa s THR 62 N -2.00 0.13 -0.17 2.61 2.01 -1.26 -3.24 115.64 113.71 2roa s THR 62 Ca 0.00 -1.05 -0.02 0.00 0.31 0.00 0.00 61.69 60.93 2roa s THR 62 Cb 0.00 -0.47 -0.01 0.00 0.01 0.00 0.00 72.50 72.02 2roa s THR 62 CO 0.00 -0.58 -0.08 -0.63 -0.69 0.00 0.00 174.62 172.64 2roa s ILE 63 N -1.86 3.33 0.58 1.82 1.01 0.07 -4.89 121.20 121.27 2roa s ILE 63 Ca -0.12 -0.54 0.08 0.00 0.00 0.00 0.00 60.65 60.07 2roa s ILE 63 Cb -0.07 -2.46 0.08 0.00 0.01 0.00 0.00 42.46 40.02 2roa s ILE 63 CO -0.02 0.48 0.69 -1.61 0.00 0.00 0.00 174.94 174.48 2roa s GLU 64 N 0.76 2.24 0.08 2.79 2.02 -1.26 -2.01 118.70 123.31 2roa s GLU 64 Ca -0.03 -1.82 -0.35 0.00 0.02 0.00 0.00 54.97 52.79 2roa s GLU 64 Cb -0.15 -2.45 -0.17 0.00 0.10 0.00 0.00 34.13 31.45 2roa s GLU 64 CO 0.02 -0.85 1.59 0.35 0.02 0.00 0.00 175.26 176.38 2roa h PHE 65 N 0.31 -1.17 -0.88 1.61 3.57 -1.98 1.49 116.94 119.89 2roa h PHE 65 Ca -0.31 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.26 2roa h PHE 65 Cb 1.30 0.43 -0.07 0.00 2.79 0.00 0.00 35.95 40.40 2roa h PHE 65 CO 0.64 -0.64 0.54 0.38 -2.23 0.00 0.00 178.31 177.00 2roa h ASP 66 N -1.02 0.83 -0.24 0.41 2.03 -1.98 0.91 116.42 117.36 2roa h ASP 66 Ca -0.08 0.03 -0.04 0.00 -0.73 0.00 0.00 57.03 56.21 2roa h ASP 66 Cb 0.84 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 39.19 2roa h ASP 66 CO 0.05 0.51 0.01 -0.33 -1.03 0.00 0.00 179.24 178.45 2roa h GLU 67 N 0.95 0.41 -0.44 4.15 5.08 -1.86 -1.80 114.58 121.07 2roa h GLU 67 Ca 0.40 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.58 2roa h GLU 67 Cb 0.24 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2roa h GLU 67 CO -0.20 0.58 0.06 0.35 -1.00 0.00 0.00 179.01 178.81 2roa h PHE 68 N 0.19 0.70 -0.53 4.33 3.57 0.31 -1.37 116.94 124.14 2roa h PHE 68 Ca 0.07 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2roa h PHE 68 Cb 0.39 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2roa h PHE 68 CO 0.03 0.63 0.24 1.25 -2.23 0.00 0.00 178.31 178.23 2roa h LEU 69 N 0.66 0.71 -0.32 0.59 6.46 0.11 0.28 115.31 123.79 2roa h LEU 69 Ca 0.14 -0.15 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 2roa h LEU 69 Cb 0.31 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 2roa h LEU 69 CO 0.00 0.66 0.06 -1.28 -0.62 0.00 0.00 178.44 177.27 2roa h SER 70 N 0.72 0.51 -0.58 1.25 0.87 -0.94 -1.30 113.55 114.08 2roa h SER 70 Ca 0.18 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 2roa h SER 70 Cb 0.15 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 2roa h SER 70 CO -0.02 0.64 0.27 0.25 -0.53 0.00 0.00 176.83 177.43 2roa h LEU 71 N 0.37 0.77 -0.01 2.23 5.85 -1.01 0.22 115.31 123.72 2roa h LEU 71 Ca 0.10 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2roa h LEU 71 Cb 0.34 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 2roa h LEU 71 CO 0.01 0.70 -0.01 -0.03 -0.34 0.00 0.00 178.44 178.76 2roa h MET 72 N 0.79 -0.01 0.02 1.25 4.05 -0.31 -0.86 114.93 119.87 2roa h MET 72 Ca 0.20 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.62 2roa h MET 72 Cb 0.14 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 2roa h MET 72 CO -0.02 -0.01 -0.01 0.00 0.23 0.00 0.00 176.91 177.10 2roa h ALA 73 N 1.00 -0.03 -0.30 0.39 0.00 -1.01 -1.40 119.26 117.91 2roa h ALA 73 Ca 0.01 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.97 2roa h ALA 73 Cb 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2roa h ALA 73 CO -0.02 -0.48 0.39 0.87 0.00 0.00 0.00 179.25 180.01 2roa h LYS 74 N -0.10 0.00 0.07 0.00 1.57 -0.33 2.70 116.57 120.47 2roa h LYS 74 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2roa h LYS 74 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2roa h LYS 74 CO 0.01 0.00 -0.03 -0.22 -0.57 0.00 0.00 179.45 178.63 2roa h LYS 75 N 0.00 -0.09 0.04 3.15 1.63 -0.08 -3.10 116.57 118.13 2roa h LYS 75 Ca 0.14 0.01 -0.20 0.00 -0.85 0.00 0.00 60.65 59.75 2roa h LYS 75 Cb 0.92 0.02 0.02 0.00 -0.60 0.00 0.00 32.23 32.59 2roa h LYS 75 CO -0.00 0.49 -0.82 0.28 -3.45 0.00 0.00 179.45 175.94 2roa h VAL 76 N -0.87 1.39 0.00 2.00 2.07 -0.64 -3.08 116.25 117.12 2roa h VAL 76 Ca -0.01 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 65.26 2roa h VAL 76 Cb 0.62 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2roa h VAL 76 CO 0.02 0.66 0.00 1.17 0.02 0.00 0.00 177.57 179.44 2roa n LYS 77 N -4.07 0.01 0.03 1.57 4.81 0.89 -1.69 118.16 119.70 2roa n LYS 77 Ca -0.12 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 2roa n LYS 77 Cb 0.79 -1.50 0.31 0.00 0.02 0.00 0.00 35.03 34.65 2roa n LYS 77 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2roa h ASP 78 N 0.00 0.43 0.00 3.14 1.82 -1.46 -3.48 116.42 116.87 2roa h ASP 78 Ca 0.00 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 2roa h ASP 78 Cb 0.00 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 39.90 2roa h ASP 78 CO 0.00 0.53 0.00 0.35 -1.61 0.00 0.00 179.24 178.51