#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roa n ASP 2 N 0.00 0.69 -4.73 0.00 9.92 -1.26 -4.85 116.55 116.32 2roa n ASP 2 Ca 0.00 -1.32 -0.41 0.00 -0.53 0.00 0.00 54.79 52.52 2roa n ASP 2 Cb 0.00 -0.01 -0.04 0.00 -0.64 0.00 0.00 41.12 40.42 2roa n ASP 2 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2roa s ILE 3 N -1.97 4.26 0.25 0.53 -1.09 -1.26 -4.94 121.20 116.99 2roa s ILE 3 Ca 0.39 1.86 -0.03 0.00 -2.23 0.00 0.00 60.65 60.64 2roa s ILE 3 Cb 0.19 -4.19 0.24 0.00 -1.58 0.00 0.00 42.46 37.13 2roa s ILE 3 CO 0.32 0.28 1.71 -0.07 -1.23 0.00 0.00 174.94 175.94 2roa h LEU 4 N 5.60 0.21 0.00 2.97 3.38 -2.04 -3.46 115.31 121.97 2roa h LEU 4 Ca -0.43 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2roa h LEU 4 Cb 1.21 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2roa h LEU 4 CO 0.73 0.04 0.00 -0.24 0.09 0.00 0.00 178.44 179.06 2roa n SER 5 N -5.06 0.00 -1.63 -0.43 2.88 -1.26 -2.43 113.62 105.69 2roa n SER 5 Ca 0.16 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.63 2roa n SER 5 Cb 0.48 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.96 2roa n SER 5 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2roa n GLU 6 N 13.71 1.32 0.15 -1.46 1.02 -1.26 -4.40 120.64 129.72 2roa n GLU 6 Ca 0.00 -0.63 -0.10 0.00 -0.02 0.00 0.00 57.16 56.41 2roa n GLU 6 Cb 0.00 -1.25 -0.06 0.00 -0.02 0.00 0.00 31.44 30.11 2roa n GLU 6 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2roa h GLU 7 N 1.12 -0.43 -0.64 3.49 4.57 -1.85 0.02 114.58 120.86 2roa h GLU 7 Ca 0.12 0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.25 2roa h GLU 7 Cb 0.99 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.65 2roa h GLU 7 CO 0.30 -0.13 0.09 -0.56 -1.18 0.00 0.00 179.01 177.53 2roa h GLN 8 N -0.99 1.06 -0.48 1.92 -0.00 -1.87 -2.60 115.11 112.15 2roa h GLN 8 Ca -0.05 -0.29 -0.04 0.00 -0.00 0.00 0.00 58.65 58.28 2roa h GLN 8 Cb 0.49 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.48 27.83 2roa h GLN 8 CO 0.07 0.98 0.16 0.82 -0.00 0.00 0.00 178.83 180.87 2roa h ILE 9 N 0.99 1.22 -0.63 1.86 2.04 -1.85 -1.81 117.51 119.33 2roa h ILE 9 Ca 0.19 -0.73 0.07 0.00 1.00 0.00 0.00 64.86 65.39 2roa h ILE 9 Cb 0.45 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 2roa h ILE 9 CO 0.01 0.27 0.32 0.58 0.00 0.00 0.00 178.15 179.34 2roa h VAL 10 N 0.65 0.92 0.43 1.67 2.07 -0.73 0.90 116.25 122.16 2roa h VAL 10 Ca 0.16 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2roa h VAL 10 Cb 0.25 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2roa h VAL 10 CO -0.01 0.11 -0.21 -0.78 0.02 0.00 0.00 177.57 176.70 2roa h ASP 11 N 0.59 -0.49 -0.30 0.57 1.82 -1.18 0.81 116.42 118.25 2roa h ASP 11 Ca 0.29 -0.00 0.04 0.00 -0.39 0.00 0.00 57.03 56.97 2roa h ASP 11 Cb 0.24 0.13 -0.04 0.00 0.68 0.00 0.00 39.33 40.33 2roa h ASP 11 CO -0.21 -0.32 0.06 -0.26 -1.61 0.00 0.00 179.24 176.90 2roa h PHE 12 N -0.61 0.10 -0.89 0.28 0.04 -0.78 -1.07 116.94 114.01 2roa h PHE 12 Ca -0.06 0.02 0.08 0.00 2.80 0.00 0.00 57.97 60.81 2roa h PHE 12 Cb 0.46 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.55 2roa h PHE 12 CO -0.04 0.02 0.57 -0.22 -0.60 0.00 0.00 178.31 178.05 2roa h LYS 13 N 0.17 0.90 -0.64 1.51 3.11 0.10 0.07 116.57 121.78 2roa h LYS 13 Ca 0.14 -0.05 -0.05 0.00 -2.81 0.00 0.00 60.65 57.87 2roa h LYS 13 Cb 0.14 -0.20 -0.03 0.00 -1.00 0.00 0.00 32.23 31.15 2roa h LYS 13 CO -0.18 0.59 0.19 1.49 -2.81 0.00 0.00 179.45 178.73 2roa h GLU 14 N 0.93 1.00 -0.27 1.90 4.81 0.35 0.18 114.58 123.47 2roa h GLU 14 Ca 0.40 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2roa h GLU 14 Cb 0.33 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2roa h GLU 14 CO -0.16 0.89 0.11 0.00 -0.73 0.00 0.00 179.01 179.12 2roa h ALA 15 N 1.07 0.35 0.07 2.92 0.00 0.06 -0.40 119.26 123.33 2roa h ALA 15 Ca 0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2roa h ALA 15 Cb 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2roa h ALA 15 CO -0.00 -0.06 -0.03 0.35 0.00 0.00 0.00 179.25 179.50 2roa h PHE 16 N 0.29 -0.08 -0.53 0.00 3.57 -0.81 0.08 116.94 119.46 2roa h PHE 16 Ca 0.09 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.66 2roa h PHE 16 Cb 0.16 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.87 2roa h PHE 16 CO -0.01 0.07 0.20 0.78 -2.23 0.00 0.00 178.31 177.12 2roa h GLY 17 N -0.22 0.72 1.03 2.40 0.00 -0.56 0.32 103.07 106.75 2roa h GLY 17 Ca -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 2roa h GLY 17 CO 0.02 0.02 0.44 -2.00 0.00 0.00 0.00 176.54 175.02 2roa h LEU 18 N 0.39 1.06 -0.64 3.11 6.46 -0.92 -2.52 115.31 122.26 2roa h LEU 18 Ca 0.25 -0.11 -0.04 0.00 -0.12 0.00 0.00 57.88 57.86 2roa h LEU 18 Cb 0.27 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 39.90 2roa h LEU 18 CO -0.25 0.87 0.22 -0.26 -0.62 0.00 0.00 178.44 178.41 2roa h PHE 19 N 1.18 1.01 0.00 1.25 -1.00 0.62 -3.00 116.94 116.99 2roa h PHE 19 Ca 0.29 -0.09 -0.37 0.00 2.81 0.00 0.00 57.97 60.62 2roa h PHE 19 Cb 0.06 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 39.30 2roa h PHE 19 CO 0.01 0.81 1.39 -3.47 -1.61 0.00 0.00 178.31 175.44 2roa n ASP 20 N -4.39 6.23 -0.67 2.17 2.03 0.97 -4.67 116.55 118.22 2roa n ASP 20 Ca 0.04 -2.45 0.50 0.00 0.52 0.00 0.00 54.79 53.40 2roa n ASP 20 Cb 0.19 -1.38 0.78 0.00 -0.72 0.00 0.00 41.12 40.00 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 3.04 -0.00 0.13 -0.67 5.02 -1.14 0.28 118.16 124.82 2roa n LYS 21 Ca 0.54 1.06 0.04 0.00 -2.02 0.00 0.00 58.31 57.94 2roa n LYS 21 Cb 0.57 -2.41 0.03 0.00 -0.02 0.00 0.00 35.03 33.20 2roa n LYS 21 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2roa h ASP 22 N 0.00 0.00 -0.11 4.39 2.03 -1.89 -3.48 116.42 117.36 2roa h ASP 22 Ca 0.90 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 57.16 2roa h ASP 22 Cb 3.57 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 42.05 2roa h ASP 22 CO -0.06 0.39 -0.04 0.61 -1.03 0.00 0.00 179.24 179.10 2roa n GLY 23 N 1.23 0.57 0.00 7.15 0.00 0.79 -4.88 105.19 110.05 2roa n GLY 23 Ca 0.00 -0.55 0.04 0.00 0.00 0.00 0.00 46.02 45.51 2roa n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2roa n ASP 24 N 0.78 0.00 0.00 1.61 5.75 -1.26 -4.81 116.55 118.62 2roa n ASP 24 Ca -0.02 0.48 0.00 0.00 -0.01 0.00 0.00 54.79 55.24 2roa n ASP 24 Cb 0.11 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.71 2roa n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2roa n GLY 25 N -0.61 2.53 2.98 6.12 0.00 -1.26 -5.00 105.19 109.95 2roa n GLY 25 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 0.68 5.05 0.76 0.00 1.01 -0.92 -4.95 121.20 122.82 2roa s ILE 27 Ca -0.13 -0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.38 2roa s ILE 27 Cb -0.15 -4.00 0.05 0.00 0.01 0.00 0.00 42.46 38.37 2roa s ILE 27 CO 0.02 -0.33 1.14 0.42 0.00 0.00 0.00 174.94 176.20 2roa s THR 28 N 2.27 2.73 0.28 2.92 -4.23 -1.26 -1.00 115.64 117.35 2roa s THR 28 Ca 0.15 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 2roa s THR 28 Cb -0.16 -3.23 0.28 0.00 1.34 0.00 0.00 72.50 70.73 2roa s THR 28 CO 0.14 -0.31 1.86 -0.37 -0.54 0.00 0.00 174.62 175.39 2roa h VAL 29 N -0.86 0.98 -0.58 2.29 -1.51 -1.95 0.38 116.25 115.00 2roa h VAL 29 Ca -0.45 -0.36 -0.03 0.00 -1.23 0.00 0.00 66.70 64.62 2roa h VAL 29 Cb 1.29 -0.17 -0.03 0.00 -2.13 0.00 0.00 31.29 30.26 2roa h VAL 29 CO 0.65 0.19 0.24 -0.33 -1.23 0.00 0.00 177.57 177.09 2roa h GLU 30 N 1.06 0.86 -0.53 5.19 4.39 -1.92 0.31 114.58 123.95 2roa h GLU 30 Ca 0.47 -0.15 -0.09 0.00 0.34 0.00 0.00 59.36 59.93 2roa h GLU 30 Cb 0.37 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 2roa h GLU 30 CO -0.23 0.74 -0.03 0.93 -1.16 0.00 0.00 179.01 179.26 2roa h GLU 31 N 0.80 0.95 -0.42 2.33 5.08 -1.53 -1.48 114.58 120.30 2roa h GLU 31 Ca 0.19 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2roa h GLU 31 Cb 0.19 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2roa h GLU 31 CO -0.02 0.98 0.19 1.25 -1.00 0.00 0.00 179.01 180.42 2roa h LEU 32 N 0.82 0.56 -0.90 1.33 7.12 0.09 -1.90 115.31 122.44 2roa h LEU 32 Ca 0.15 -0.14 0.10 0.00 0.13 0.00 0.00 57.88 58.12 2roa h LEU 32 Cb 0.57 -0.14 -0.08 0.00 -0.53 0.00 0.00 40.66 40.48 2roa h LEU 32 CO 0.03 0.54 0.53 0.00 -0.13 0.00 0.00 178.44 179.42 2roa h ALA 33 N 1.04 1.30 -0.53 1.25 0.00 -0.09 0.18 119.26 122.42 2roa h ALA 33 Ca 0.14 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2roa h ALA 33 Cb 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2roa h ALA 33 CO -0.02 0.15 0.35 1.15 0.00 0.00 0.00 179.25 180.88 2roa h THR 34 N 0.87 1.14 -0.27 0.00 2.02 -0.64 0.54 112.91 116.58 2roa h THR 34 Ca 0.44 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 2roa h THR 34 Cb 0.41 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2roa h THR 34 CO -0.25 0.14 0.10 0.58 0.37 0.00 0.00 175.52 176.46 2roa h VAL 35 N 0.72 1.18 -0.92 3.16 2.07 -0.31 -2.25 116.25 119.89 2roa h VAL 35 Ca 0.19 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2roa h VAL 35 Cb -0.07 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 2roa h VAL 35 CO -0.04 0.18 0.58 0.40 0.02 0.00 0.00 177.57 178.72 2roa h ILE 36 N 0.28 1.25 -0.82 4.57 1.08 -0.34 -1.96 117.51 121.56 2roa h ILE 36 Ca 0.09 -0.50 0.10 0.00 -0.39 0.00 0.00 64.86 64.16 2roa h ILE 36 Cb 0.19 -0.09 -0.07 0.00 -3.07 0.00 0.00 36.82 33.78 2roa h ILE 36 CO -0.01 0.25 0.46 -0.09 -0.69 0.00 0.00 178.15 178.08 2roa h ARG 37 N 1.26 0.74 -0.67 2.37 2.43 0.53 -1.08 114.38 119.97 2roa h ARG 37 Ca 0.33 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.38 2roa h ARG 37 Cb -0.10 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.26 2roa h ARG 37 CO -0.07 0.49 0.11 1.03 -1.51 0.00 0.00 179.97 180.02 2roa h SER 38 N 0.77 1.05 0.00 -3.80 0.87 -0.81 -2.80 113.55 108.83 2roa h SER 38 Ca 0.40 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2roa h SER 38 Cb 0.39 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2roa h SER 38 CO -0.26 1.04 0.00 0.18 -0.53 0.00 0.00 176.83 177.26 2roa n LEU 39 N -4.21 0.29 -0.88 2.23 4.77 -0.43 -4.69 117.00 114.07 2roa n LEU 39 Ca 0.04 -0.14 -0.11 0.00 -0.03 0.00 0.00 56.01 55.76 2roa n LEU 39 Cb 0.29 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 2roa n LEU 39 CO 0.43 0.07 -0.11 0.47 -1.33 0.00 0.00 177.39 176.92 2roa n ASP 40 N 0.29 -4.38 -4.04 -1.43 8.00 -1.06 -5.00 116.55 108.93 2roa n ASP 40 Ca 0.00 0.28 -0.17 0.00 0.71 0.00 0.00 54.79 55.61 2roa n ASP 40 Cb 0.07 -2.89 -0.14 0.00 -0.02 0.00 0.00 41.12 38.14 2roa n ASP 40 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2roa s GLN 41 N -2.98 0.66 -0.39 -1.24 -0.21 -1.05 -5.06 119.66 109.38 2roa s GLN 41 Ca 0.00 -0.44 0.08 0.00 0.02 0.00 0.00 55.36 55.01 2roa s GLN 41 Cb 0.00 -0.61 0.24 0.00 1.00 0.00 0.00 33.01 33.65 2roa s GLN 41 CO 0.00 0.16 0.51 0.27 -2.12 0.00 0.00 175.29 174.11 2roa n ASN 42 N 2.46 0.02 -4.71 5.90 6.94 -1.26 -2.33 115.26 122.29 2roa n ASN 42 Ca -0.16 -2.68 -0.32 0.00 -0.02 0.00 0.00 54.58 51.40 2roa n ASN 42 Cb 0.56 -0.57 0.13 0.00 -2.36 0.00 0.00 39.78 37.54 2roa n ASN 42 CO 0.00 0.00 0.00 -2.84 -1.03 0.00 0.00 177.26 173.39 2roa s PRO 43 N -1.02 1.65 0.44 -0.53 0.02 -1.26 -5.01 135.00 129.30 2roa s PRO 43 Ca 0.35 1.58 -0.13 0.00 0.02 0.00 0.00 61.00 62.81 2roa s PRO 43 Cb 0.16 -1.80 -0.07 0.00 0.02 0.00 0.00 34.50 32.81 2roa s PRO 43 CO -0.12 -2.16 0.85 0.95 -0.33 0.00 0.00 177.00 176.19 2roa s THR 44 N -2.42 4.68 0.28 0.99 -4.23 -1.26 -4.77 115.64 108.91 2roa s THR 44 Ca 0.69 0.88 -0.01 0.00 -1.18 0.00 0.00 61.69 62.07 2roa s THR 44 Cb -0.24 -3.72 0.40 0.00 1.34 0.00 0.00 72.50 70.28 2roa s THR 44 CO 0.52 -0.56 1.44 -0.62 -0.54 0.00 0.00 174.62 174.87 2roa n GLU 45 N -1.33 -0.08 -0.12 3.99 1.02 -1.26 -0.05 120.64 122.81 2roa n GLU 45 Ca 0.04 1.40 -0.14 0.00 -0.02 0.00 0.00 57.16 58.44 2roa n GLU 45 Cb 0.54 -2.18 -0.10 0.00 -0.02 0.00 0.00 31.44 29.68 2roa n GLU 45 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2roa h GLU 46 N 0.00 -0.39 -0.71 3.49 5.08 -1.98 2.04 114.58 122.11 2roa h GLU 46 Ca 0.53 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.89 2roa h GLU 46 Cb 1.02 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 2roa h GLU 46 CO -0.89 -0.26 0.35 0.93 -1.00 0.00 0.00 179.01 178.14 2roa h GLU 47 N -0.40 1.02 -0.73 2.33 5.08 -0.82 -0.06 114.58 121.00 2roa h GLU 47 Ca 0.07 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2roa h GLU 47 Cb 0.59 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2roa h GLU 47 CO -0.57 0.80 0.42 1.25 -1.00 0.00 0.00 179.01 179.91 2roa h LEU 48 N 0.99 0.89 0.16 1.33 5.85 0.58 0.26 115.31 125.37 2roa h LEU 48 Ca 0.24 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2roa h LEU 48 Cb 0.11 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.92 2roa h LEU 48 CO -0.03 0.71 -0.08 1.56 -0.34 0.00 0.00 178.44 180.26 2roa h GLN 49 N 0.99 -0.21 -0.53 1.25 4.20 0.37 1.00 115.11 122.19 2roa h GLN 49 Ca 0.26 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.98 2roa h GLN 49 Cb 0.01 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 2roa h GLN 49 CO -0.04 0.01 0.32 0.22 -0.67 0.00 0.00 178.83 178.67 2roa h ASP 50 N -0.40 0.63 -0.02 1.46 1.82 -0.79 2.18 116.42 121.29 2roa h ASP 50 Ca -0.02 -0.03 -0.06 0.00 -0.39 0.00 0.00 57.03 56.53 2roa h ASP 50 Cb 0.31 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.17 2roa h ASP 50 CO 0.04 0.48 -0.21 0.24 -1.61 0.00 0.00 179.24 178.18 2roa h MET 51 N 0.73 0.17 -0.44 0.28 2.86 -0.25 -0.78 114.93 117.51 2roa h MET 51 Ca 0.19 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 2roa h MET 51 Cb -0.03 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 2roa h MET 51 CO -0.04 0.86 0.08 0.82 1.06 0.00 0.00 176.91 179.69 2roa h ILE 52 N -0.46 1.24 -0.46 -1.22 2.04 0.15 -2.84 117.51 115.96 2roa h ILE 52 Ca -0.02 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 64.99 2roa h ILE 52 Cb 0.92 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 2roa h ILE 52 CO 0.04 0.30 0.28 0.28 0.00 0.00 0.00 178.15 179.05 2roa h SER 53 N 0.58 0.46 -0.79 1.72 0.02 0.35 1.61 113.55 117.50 2roa h SER 53 Ca 0.13 0.00 0.23 0.00 -0.84 0.00 0.00 61.79 61.31 2roa h SER 53 Cb 0.36 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 2roa h SER 53 CO 0.01 0.33 0.86 -0.08 -1.14 0.00 0.00 176.83 176.81 2roa h GLU 54 N 0.56 0.00 0.00 3.45 4.22 -0.88 -1.27 114.58 120.66 2roa h GLU 54 Ca 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.60 2roa h GLU 54 Cb -0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2roa h GLU 54 CO -0.07 0.00 -1.11 1.55 -2.18 0.00 0.00 179.01 177.20 2roa n VAL 55 N -3.50 0.05 -1.57 0.32 3.14 -0.45 -4.89 118.33 111.43 2roa n VAL 55 Ca 0.17 -0.06 -0.14 0.00 -2.96 0.00 0.00 64.34 61.35 2roa n VAL 55 Cb 1.12 -0.13 -0.11 0.00 -1.06 0.00 0.00 33.84 33.66 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 -1.78 1.37 -0.01 6.55 -0.08 0.54 -4.62 116.55 118.52 2roa n ASP 56 Ca -0.01 -2.35 0.01 0.00 -1.51 0.00 0.00 54.79 50.93 2roa n ASP 56 Cb 0.26 -1.72 0.33 0.00 2.34 0.00 0.00 41.12 42.33 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 11.82 1.47 0.00 -1.67 0.00 -1.86 -2.25 119.26 126.78 2roa h ALA 57 Ca 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2roa h ALA 57 Cb 1.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2roa h ALA 57 CO 1.00 0.39 -0.46 -0.44 0.00 0.00 0.00 179.25 179.75 2roa h ASP 58 N 0.55 0.00 -1.37 0.00 3.32 -1.93 -3.47 116.42 113.52 2roa h ASP 58 Ca 0.13 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.82 2roa h ASP 58 Cb 0.19 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.64 2roa h ASP 58 CO -0.01 0.41 -0.37 0.61 -1.72 0.00 0.00 179.24 178.17 2roa n GLY 59 N 1.21 1.08 0.19 2.75 0.00 -0.85 -4.86 105.19 104.71 2roa n GLY 59 Ca 0.02 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.00 0.00 1.61 -1.07 -1.92 -3.47 115.58 110.74 2roa h ASN 60 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.99 2roa h ASN 60 Cb 1.20 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.45 2roa h ASN 60 CO 0.52 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.63 2roa n GLY 61 N 1.01 1.08 3.27 9.14 0.00 -1.26 -5.09 105.19 113.34 2roa n GLY 61 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 2roa n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2roa s THR 62 N -2.00 0.00 -0.10 2.61 -4.23 -1.26 -3.72 115.64 106.94 2roa s THR 62 Ca 0.00 -1.93 0.03 0.00 -1.18 0.00 0.00 61.69 58.61 2roa s THR 62 Cb 0.00 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.36 2roa s THR 62 CO 0.00 0.00 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.23 2roa s ILE 63 N -3.94 1.89 0.46 2.99 1.01 -0.17 -4.85 121.20 118.59 2roa s ILE 63 Ca 0.38 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 60.19 2roa s ILE 63 Cb 0.05 -1.65 0.03 0.00 0.01 0.00 0.00 42.46 40.89 2roa s ILE 63 CO 0.16 0.52 0.62 -1.61 0.00 0.00 0.00 174.94 174.63 2roa s GLU 64 N 0.48 2.69 0.16 2.79 2.02 -1.26 -2.17 118.70 123.41 2roa s GLU 64 Ca -0.16 -1.35 -0.17 0.00 0.02 0.00 0.00 54.97 53.31 2roa s GLU 64 Cb -0.17 -2.72 0.07 0.00 0.10 0.00 0.00 34.13 31.41 2roa s GLU 64 CO 0.06 -0.41 1.70 0.35 0.02 0.00 0.00 175.26 176.98 2roa h PHE 65 N 0.54 -0.07 -0.77 1.61 3.57 -1.98 1.25 116.94 121.10 2roa h PHE 65 Ca -0.38 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.15 2roa h PHE 65 Cb 1.28 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 40.07 2roa h PHE 65 CO 0.42 -0.09 0.47 -0.44 -2.23 0.00 0.00 178.31 176.43 2roa h ASP 66 N 0.07 0.92 -0.21 0.41 3.32 -1.98 0.35 116.42 119.29 2roa h ASP 66 Ca 0.17 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 2roa h ASP 66 Cb 0.24 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2roa h ASP 66 CO -0.31 0.71 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.49 2roa h GLU 67 N 1.05 0.44 -0.38 3.56 5.08 -1.66 -1.06 114.58 121.61 2roa h GLU 67 Ca 0.28 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2roa h GLU 67 Cb -0.05 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2roa h GLU 67 CO -0.05 0.72 0.23 0.35 -1.00 0.00 0.00 179.01 179.26 2roa h PHE 68 N 0.15 0.50 -0.86 4.33 3.57 0.19 0.04 116.94 124.85 2roa h PHE 68 Ca 0.05 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 2roa h PHE 68 Cb 0.58 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 2roa h PHE 68 CO 0.06 0.35 0.44 1.25 -2.23 0.00 0.00 178.31 178.19 2roa h LEU 69 N 0.51 1.10 -0.34 0.59 6.46 -0.27 -1.81 115.31 121.55 2roa h LEU 69 Ca 0.14 -0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 2roa h LEU 69 Cb -0.01 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.63 2roa h LEU 69 CO -0.03 0.90 0.12 0.77 -0.62 0.00 0.00 178.44 179.58 2roa h SER 70 N 1.21 0.48 -0.78 1.25 4.64 -0.74 -0.14 113.55 119.48 2roa h SER 70 Ca 0.30 -0.19 0.04 0.00 -0.47 0.00 0.00 61.79 61.47 2roa h SER 70 Cb 0.07 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 61.98 2roa h SER 70 CO -0.04 0.54 0.48 0.25 -0.87 0.00 0.00 176.83 177.20 2roa h LEU 71 N 0.39 0.79 0.29 5.97 5.85 -0.63 2.26 115.31 130.22 2roa h LEU 71 Ca 0.11 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2roa h LEU 71 Cb 0.23 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2roa h LEU 71 CO -0.01 0.53 -0.14 0.24 -0.34 0.00 0.00 178.44 178.73 2roa h MET 72 N 0.93 -0.37 -0.06 1.25 2.86 -1.13 -1.70 114.93 116.70 2roa h MET 72 Ca 0.32 0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.94 2roa h MET 72 Cb 0.06 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 2roa h MET 72 CO -0.13 -0.04 -0.18 0.00 1.06 0.00 0.00 176.91 177.62 2roa h ALA 73 N -0.26 1.59 -0.14 6.32 0.00 -0.80 0.53 119.26 126.50 2roa h ALA 73 Ca -0.04 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 2roa h ALA 73 Cb 0.51 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2roa h ALA 73 CO 0.07 0.30 -0.29 -0.22 0.00 0.00 0.00 179.25 179.11 2roa h LYS 74 N 0.10 0.27 0.12 0.00 3.11 0.39 1.55 116.57 122.10 2roa h LYS 74 Ca 0.02 -0.10 -0.24 0.00 -2.81 0.00 0.00 60.65 57.52 2roa h LYS 74 Cb 0.37 -0.02 0.01 0.00 -1.00 0.00 0.00 32.23 31.59 2roa h LYS 74 CO 0.02 0.54 -1.18 0.87 -2.81 0.00 0.00 179.45 176.89 2roa h LYS 75 N 0.24 0.26 -0.57 1.90 1.57 -0.63 -3.30 116.57 116.04 2roa h LYS 75 Ca 0.03 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2roa h LYS 75 Cb 0.64 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2roa h LYS 75 CO 0.05 1.21 0.00 0.28 -0.57 0.00 0.00 179.45 180.42 2roa n VAL 76 N -4.01 1.00 0.13 0.50 0.31 0.11 -4.37 118.33 112.00 2roa n VAL 76 Ca -0.21 -0.65 0.03 0.00 -0.01 0.00 0.00 64.34 63.50 2roa n VAL 76 Cb 0.87 -0.02 0.18 0.00 -0.91 0.00 0.00 33.84 33.96 2roa n VAL 76 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2roa n LYS 77 N 0.55 0.05 0.25 5.55 4.81 0.53 -1.21 118.16 128.68 2roa n LYS 77 Ca 0.15 0.47 -0.16 0.00 -0.87 0.00 0.00 58.31 57.89 2roa n LYS 77 Cb 0.54 -2.11 -0.08 0.00 0.02 0.00 0.00 35.03 33.41 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 -1.02 0.00 3.14 3.58 -1.81 -3.50 116.42 116.81 2roa h ASP 78 Ca 0.00 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2roa h ASP 78 Cb 0.90 0.34 0.00 0.00 1.72 0.00 0.00 39.33 42.29 2roa h ASP 78 CO 0.00 -0.53 0.00 0.35 -2.88 0.00 0.00 179.24 176.18