#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 1.33 -4.48 0.00 8.00 -1.26 -4.75 116.55 115.39 2roa n ASP 2 Ca 0.00 -2.09 -0.41 0.00 0.71 0.00 0.00 54.79 53.00 2roa n ASP 2 Cb 0.00 -0.39 -0.11 0.00 -0.02 0.00 0.00 41.12 40.60 2roa n ASP 2 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2roa s ILE 3 N -1.43 5.09 0.24 0.53 1.09 -1.26 -4.96 121.20 120.50 2roa s ILE 3 Ca 0.07 -0.42 -0.06 0.00 -1.10 0.00 0.00 60.65 59.15 2roa s ILE 3 Cb 0.05 -3.68 0.17 0.00 -1.06 0.00 0.00 42.46 37.94 2roa s ILE 3 CO 0.03 -0.09 1.81 0.25 -0.10 0.00 0.00 174.94 176.84 2roa h LEU 4 N 8.49 1.02 -9.08 2.97 6.46 -2.02 -3.41 115.31 119.75 2roa h LEU 4 Ca -0.30 -0.15 -0.58 0.00 -0.12 0.00 0.00 57.88 56.73 2roa h LEU 4 Cb 1.14 -0.26 0.01 0.00 -0.73 0.00 0.00 40.66 40.81 2roa h LEU 4 CO 0.66 0.90 1.41 -0.24 -0.62 0.00 0.00 178.44 180.55 2roa n SER 5 N -4.29 3.47 -2.36 1.25 2.88 -1.26 -3.16 113.62 110.15 2roa n SER 5 Ca 0.07 0.42 -0.02 0.00 -1.33 0.00 0.00 58.87 58.01 2roa n SER 5 Cb 0.18 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.11 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 8.34 -1.12 -0.07 -1.46 1.02 -1.26 -5.00 120.64 121.09 2roa n GLU 6 Ca 0.27 1.29 -0.06 0.00 -0.02 0.00 0.00 57.16 58.64 2roa n GLU 6 Cb 0.42 -4.02 -0.02 0.00 -0.02 0.00 0.00 31.44 27.81 2roa n GLU 6 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2roa n GLU 7 N -0.90 0.45 -0.01 3.49 0.00 -1.19 -3.71 120.64 118.77 2roa n GLU 7 Ca 0.04 0.37 0.01 0.00 0.00 0.00 0.00 57.16 57.57 2roa n GLU 7 Cb 0.38 -1.51 0.32 0.00 0.00 0.00 0.00 31.44 30.64 2roa n GLU 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.13 176.57 2roa h GLN 8 N -0.92 0.55 -0.40 5.31 3.07 -1.96 -1.77 115.11 118.99 2roa h GLN 8 Ca 0.00 -0.10 -0.02 0.00 0.09 0.00 0.00 58.65 58.62 2roa h GLN 8 Cb 0.66 -0.09 -0.02 0.00 0.08 0.00 0.00 27.48 28.11 2roa h GLN 8 CO 0.00 0.52 0.16 0.82 0.09 0.00 0.00 178.83 180.42 2roa h ILE 9 N 0.54 1.20 -0.29 1.86 1.08 -1.98 0.65 117.51 120.57 2roa h ILE 9 Ca 0.12 -0.61 -0.02 0.00 -0.39 0.00 0.00 64.86 63.96 2roa h ILE 9 Cb 0.23 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 34.82 2roa h ILE 9 CO -0.00 0.22 0.11 0.58 -0.69 0.00 0.00 178.15 178.37 2roa h VAL 10 N 0.50 1.18 -0.50 1.67 2.07 -1.54 0.20 116.25 119.84 2roa h VAL 10 Ca 0.13 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 2roa h VAL 10 Cb 0.20 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2roa h VAL 10 CO -0.01 0.19 0.10 -0.78 0.02 0.00 0.00 177.57 177.10 2roa h ASP 11 N 0.31 0.77 -0.17 0.57 1.82 -1.15 -0.79 116.42 117.79 2roa h ASP 11 Ca 0.10 -0.24 -0.00 0.00 -0.39 0.00 0.00 57.03 56.49 2roa h ASP 11 Cb 0.20 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 2roa h ASP 11 CO -0.01 0.82 0.10 -0.26 -1.61 0.00 0.00 179.24 178.28 2roa h PHE 12 N 0.69 0.22 -0.22 0.28 -1.00 0.54 -1.09 116.94 116.37 2roa h PHE 12 Ca 0.15 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.92 2roa h PHE 12 Cb 0.36 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 2roa h PHE 12 CO 0.02 0.19 0.07 -0.22 -1.61 0.00 0.00 178.31 176.76 2roa h LYS 13 N 0.19 0.30 -0.55 1.51 1.63 -0.45 -1.36 116.57 117.85 2roa h LYS 13 Ca 0.06 -0.03 -0.11 0.00 -0.85 0.00 0.00 60.65 59.72 2roa h LYS 13 Cb 0.04 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 2roa h LYS 13 CO -0.01 0.28 -0.08 1.49 -3.45 0.00 0.00 179.45 177.68 2roa h GLU 14 N 0.31 1.01 -0.54 1.90 4.57 -0.36 0.06 114.58 121.53 2roa h GLU 14 Ca 0.08 -0.36 -0.06 0.00 -1.18 0.00 0.00 59.36 57.84 2roa h GLU 14 Cb 0.10 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 2roa h GLU 14 CO -0.01 1.04 0.09 0.00 -1.18 0.00 0.00 179.01 178.95 2roa h ALA 15 N 0.99 0.72 -0.06 2.92 0.00 -0.23 -1.32 119.26 122.27 2roa h ALA 15 Ca 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2roa h ALA 15 Cb 0.64 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2roa h ALA 15 CO 0.04 0.47 0.01 0.35 0.00 0.00 0.00 179.25 180.11 2roa h PHE 16 N 0.79 0.12 -0.63 0.00 3.57 -1.05 -1.18 116.94 118.56 2roa h PHE 16 Ca 0.16 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.70 2roa h PHE 16 Cb 0.41 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 2roa h PHE 16 CO 0.03 0.36 0.35 0.78 -2.23 0.00 0.00 178.31 177.60 2roa h GLY 17 N -0.16 0.91 1.04 2.40 0.00 -0.93 0.21 103.07 106.56 2roa h GLY 17 Ca 0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 2roa h GLY 17 CO 0.00 0.16 0.36 -2.00 0.00 0.00 0.00 176.54 175.07 2roa h LEU 18 N 0.66 1.10 -0.62 3.11 6.46 -1.16 -2.66 115.31 122.21 2roa h LEU 18 Ca 0.28 -0.15 -0.09 0.00 -0.12 0.00 0.00 57.88 57.80 2roa h LEU 18 Cb 0.15 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 39.77 2roa h LEU 18 CO -0.16 0.95 0.05 -0.26 -0.62 0.00 0.00 178.44 178.39 2roa h PHE 19 N 1.17 1.14 -0.07 1.25 -1.00 -0.08 -3.17 116.94 116.18 2roa h PHE 19 Ca 0.28 -0.18 -0.68 0.00 2.81 0.00 0.00 57.97 60.20 2roa h PHE 19 Cb 0.17 -0.30 0.02 0.00 3.61 0.00 0.00 35.95 39.44 2roa h PHE 19 CO 0.02 0.99 3.76 -3.47 -1.61 0.00 0.00 178.31 177.99 2roa n ASP 20 N -4.23 8.57 -0.42 2.17 -0.08 0.65 -4.72 116.55 118.49 2roa n ASP 20 Ca 0.03 -2.61 0.36 0.00 -1.51 0.00 0.00 54.79 51.06 2roa n ASP 20 Cb 0.32 -1.55 0.55 0.00 2.34 0.00 0.00 41.12 42.78 2roa n ASP 20 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2roa n LYS 21 N 3.56 0.01 0.01 -0.67 5.02 -1.20 0.36 118.16 125.24 2roa n LYS 21 Ca 0.77 0.91 0.11 0.00 -2.02 0.00 0.00 58.31 58.08 2roa n LYS 21 Cb 0.24 -2.18 -0.04 0.00 -0.02 0.00 0.00 35.03 33.02 2roa n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2roa n ASP 22 N -3.34 0.70 -1.50 4.39 5.75 -1.26 -4.97 116.55 116.32 2roa n ASP 22 Ca 0.30 -0.56 -0.17 0.00 -0.01 0.00 0.00 54.79 54.35 2roa n ASP 22 Cb 1.56 0.98 -0.05 0.00 -1.03 0.00 0.00 41.12 42.58 2roa n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2roa n GLY 23 N 1.43 1.00 0.06 6.12 0.00 1.11 -4.84 105.19 110.07 2roa n GLY 23 Ca 0.03 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.89 0.27 0.00 1.61 5.75 -1.26 -4.82 116.55 117.21 2roa n ASP 24 Ca -0.18 0.58 0.00 0.00 -0.01 0.00 0.00 54.79 55.19 2roa n ASP 24 Cb 0.59 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 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 -0.48 1.81 2.96 6.12 0.00 -1.26 -5.03 105.19 109.30 2roa n GLY 25 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 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 0.59 4.61 0.59 0.00 -1.09 -0.87 -4.82 121.20 120.20 2roa s ILE 27 Ca -0.09 0.74 -0.16 0.00 -2.23 0.00 0.00 60.65 58.91 2roa s ILE 27 Cb -0.12 -4.33 -0.04 0.00 -1.58 0.00 0.00 42.46 36.39 2roa s ILE 27 CO 0.01 -0.65 1.05 -0.89 -1.23 0.00 0.00 174.94 173.22 2roa s THR 28 N 3.40 3.93 0.54 2.92 2.01 -1.26 -1.36 115.64 125.81 2roa s THR 28 Ca 0.33 0.90 0.25 0.00 0.31 0.00 0.00 61.69 63.49 2roa s THR 28 Cb -0.12 -3.44 0.39 0.00 0.01 0.00 0.00 72.50 69.34 2roa s THR 28 CO 0.22 -0.55 2.01 -0.37 -0.69 0.00 0.00 174.62 175.23 2roa h VAL 29 N 0.46 0.72 -0.28 3.82 -1.51 -1.95 0.11 116.25 117.61 2roa h VAL 29 Ca -0.47 0.00 -0.14 0.00 -1.23 0.00 0.00 66.70 64.86 2roa h VAL 29 Cb 1.21 0.75 -0.00 0.00 -2.13 0.00 0.00 31.29 31.12 2roa h VAL 29 CO 0.58 0.00 -0.39 -0.33 -1.23 0.00 0.00 177.57 176.20 2roa h GLU 30 N 0.00 0.76 -0.38 5.19 4.39 -1.91 -1.92 114.58 120.72 2roa h GLU 30 Ca 0.23 -0.44 -0.12 0.00 0.34 0.00 0.00 59.36 59.37 2roa h GLU 30 Cb 0.94 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 2roa h GLU 30 CO -0.00 1.07 -0.23 0.93 -1.16 0.00 0.00 179.01 179.62 2roa h GLU 31 N 0.51 0.82 -0.36 2.33 5.08 -1.28 -1.98 114.58 119.70 2roa h GLU 31 Ca 0.03 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 58.03 2roa h GLU 31 Cb 0.98 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 2roa h GLU 31 CO 0.09 1.01 0.20 1.25 -1.00 0.00 0.00 179.01 180.56 2roa h LEU 32 N 0.62 0.31 -0.86 1.33 7.12 -0.88 0.11 115.31 123.06 2roa h LEU 32 Ca 0.08 0.01 0.09 0.00 0.13 0.00 0.00 57.88 58.19 2roa h LEU 32 Cb 0.79 -0.06 -0.07 0.00 -0.53 0.00 0.00 40.66 40.79 2roa h LEU 32 CO 0.06 0.23 0.51 0.00 -0.13 0.00 0.00 178.44 179.11 2roa h ALA 33 N 1.17 1.23 -0.50 1.25 0.00 -1.20 0.51 119.26 121.72 2roa h ALA 33 Ca 0.15 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2roa h ALA 33 Cb 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2roa h ALA 33 CO -0.08 0.16 0.21 1.15 0.00 0.00 0.00 179.25 180.68 2roa h THR 34 N 0.86 1.21 -0.08 0.00 2.02 -0.43 1.05 112.91 117.55 2roa h THR 34 Ca 0.41 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 2roa h THR 34 Cb 0.34 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2roa h THR 34 CO -0.24 0.24 0.01 0.58 0.37 0.00 0.00 175.52 176.49 2roa h VAL 35 N 0.67 1.21 -0.66 3.16 2.07 0.73 -1.83 116.25 121.60 2roa h VAL 35 Ca 0.17 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 2roa h VAL 35 Cb 0.18 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2roa h VAL 35 CO -0.01 0.19 0.21 0.40 0.02 0.00 0.00 177.57 178.37 2roa h ILE 36 N -0.10 1.24 -0.95 4.57 1.08 0.09 -1.90 117.51 121.54 2roa h ILE 36 Ca 0.03 -0.82 0.10 0.00 -0.39 0.00 0.00 64.86 63.78 2roa h ILE 36 Cb 0.28 0.51 -0.08 0.00 -3.07 0.00 0.00 36.82 34.46 2roa h ILE 36 CO 0.00 0.32 0.59 -0.09 -0.69 0.00 0.00 178.15 178.28 2roa h ARG 37 N 0.97 0.94 -0.21 2.37 2.43 0.14 0.58 114.38 121.61 2roa h ARG 37 Ca 0.22 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 2roa h ARG 37 Cb 0.26 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2roa h ARG 37 CO -0.01 0.62 -0.25 0.77 -1.51 0.00 0.00 179.97 179.60 2roa h SER 38 N 0.97 0.38 0.00 -3.80 0.02 -0.56 -2.98 113.55 107.58 2roa h SER 38 Ca 0.45 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2roa h SER 38 Cb 0.39 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2roa h SER 38 CO -0.24 0.63 0.00 0.18 -1.14 0.00 0.00 176.83 176.26 2roa n LEU 39 N -4.14 0.68 -0.55 5.07 4.32 0.19 -4.68 117.00 117.89 2roa n LEU 39 Ca -0.01 -0.34 -0.07 0.00 -0.02 0.00 0.00 56.01 55.57 2roa n LEU 39 Cb 0.38 -0.19 -0.03 0.00 -1.62 0.00 0.00 43.42 41.96 2roa n LEU 39 CO 0.41 0.13 -0.07 0.47 -1.22 0.00 0.00 177.39 177.11 2roa n ASP 40 N 0.50 -5.28 -3.98 -1.43 8.00 -1.13 -4.96 116.55 108.27 2roa n ASP 40 Ca 0.00 0.18 -0.12 0.00 0.71 0.00 0.00 54.79 55.56 2roa n ASP 40 Cb 0.13 -3.42 -0.12 0.00 -0.02 0.00 0.00 41.12 37.69 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 -2.40 0.35 -0.40 -1.24 -2.07 -1.19 -5.08 119.66 107.63 2roa s GLN 41 Ca 0.00 -0.48 0.03 0.00 -1.82 0.00 0.00 55.36 53.09 2roa s GLN 41 Cb 0.00 -0.13 0.16 0.00 -1.09 0.00 0.00 33.01 31.95 2roa s GLN 41 CO 0.00 0.02 0.34 1.21 -1.32 0.00 0.00 175.29 175.55 2roa s ASN 42 N -1.01 1.52 1.11 12.60 2.47 -1.26 -2.77 114.94 127.59 2roa s ASN 42 Ca -0.08 -2.54 -0.13 0.00 0.42 0.00 0.00 52.86 50.53 2roa s ASN 42 Cb -0.07 -0.09 0.25 0.00 -1.45 0.00 0.00 41.25 39.89 2roa s ASN 42 CO -0.00 -0.21 1.05 -2.84 -3.72 0.00 0.00 177.10 171.38 2roa s PRO 43 N 0.56 -0.47 0.48 0.43 0.02 -1.26 -5.03 135.00 129.73 2roa s PRO 43 Ca 0.27 0.75 -0.03 0.00 0.02 0.00 0.00 61.00 62.01 2roa s PRO 43 Cb -0.06 -1.61 -0.02 0.00 0.02 0.00 0.00 34.50 32.83 2roa s PRO 43 CO -0.11 -3.40 0.74 0.95 -0.33 0.00 0.00 177.00 174.86 2roa s THR 44 N -2.63 4.47 0.29 0.99 -4.23 -1.26 -4.82 115.64 108.45 2roa s THR 44 Ca 0.67 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 2roa s THR 44 Cb -0.23 -3.69 0.36 0.00 1.34 0.00 0.00 72.50 70.29 2roa s THR 44 CO 0.62 -0.60 1.60 -0.33 -0.54 0.00 0.00 174.62 175.37 2roa h GLU 45 N 0.27 0.07 -0.36 3.99 5.08 -1.98 0.37 114.58 122.01 2roa h GLU 45 Ca -0.47 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 57.97 2roa h GLU 45 Cb 1.23 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.38 2roa h GLU 45 CO 0.60 0.04 -0.20 0.93 -1.00 0.00 0.00 179.01 179.39 2roa h GLU 46 N 0.07 -0.14 -0.55 2.33 5.08 -1.98 1.18 114.58 120.57 2roa h GLU 46 Ca 0.56 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.88 2roa h GLU 46 Cb 1.12 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2roa h GLU 46 CO -0.81 -0.09 0.17 0.93 -1.00 0.00 0.00 179.01 178.21 2roa h GLU 47 N -0.15 0.85 -0.25 2.33 5.08 -0.73 0.42 114.58 122.14 2roa h GLU 47 Ca 0.18 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2roa h GLU 47 Cb 0.43 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2roa h GLU 47 CO -0.45 0.78 0.13 -0.07 -1.00 0.00 0.00 179.01 178.39 2roa h LEU 48 N 0.76 0.32 0.07 1.33 4.07 0.24 0.36 115.31 122.47 2roa h LEU 48 Ca 0.18 -0.11 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 2roa h LEU 48 Cb 0.28 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.94 2roa h LEU 48 CO -0.01 0.33 -0.03 1.56 -1.08 0.00 0.00 178.44 179.22 2roa h GLN 49 N 0.28 -0.09 -0.46 1.13 4.20 0.16 0.40 115.11 120.73 2roa h GLN 49 Ca 0.09 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.83 2roa h GLN 49 Cb 0.09 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2roa h GLN 49 CO -0.01 0.16 0.31 0.22 -0.67 0.00 0.00 178.83 178.84 2roa h ASP 50 N -0.33 0.46 -0.03 1.46 1.82 -0.04 1.24 116.42 120.99 2roa h ASP 50 Ca -0.01 -0.01 -0.11 0.00 -0.39 0.00 0.00 57.03 56.51 2roa h ASP 50 Cb 0.29 -0.11 0.01 0.00 0.68 0.00 0.00 39.33 40.20 2roa h ASP 50 CO 0.02 0.32 -0.41 -0.03 -1.61 0.00 0.00 179.24 177.52 2roa h MET 51 N 0.54 0.34 -0.42 0.28 4.05 -0.02 -0.40 114.93 119.30 2roa h MET 51 Ca 0.18 -0.32 -0.04 0.00 -0.28 0.00 0.00 59.70 59.24 2roa h MET 51 Cb 0.07 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 2roa h MET 51 CO -0.04 0.99 0.10 0.82 0.23 0.00 0.00 176.91 179.01 2roa h ILE 52 N -0.20 1.23 -0.31 1.77 2.04 0.45 -2.92 117.51 119.57 2roa h ILE 52 Ca -0.04 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 2roa h ILE 52 Cb 1.11 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 2roa h ILE 52 CO 0.08 0.28 0.17 0.28 0.00 0.00 0.00 178.15 178.96 2roa h SER 53 N 0.53 0.40 -1.44 1.72 0.02 0.15 2.42 113.55 117.35 2roa h SER 53 Ca 0.13 -0.10 0.42 0.00 -0.84 0.00 0.00 61.79 61.40 2roa h SER 53 Cb 0.31 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.69 2roa h SER 53 CO 0.00 0.38 1.06 -0.08 -1.14 0.00 0.00 176.83 177.05 2roa h GLU 54 N 0.38 0.00 0.00 3.45 4.81 -0.86 -2.35 114.58 120.01 2roa h GLU 54 Ca 0.11 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 2roa h GLU 54 Cb 0.08 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2roa h GLU 54 CO -0.02 0.00 -1.32 0.28 -0.73 0.00 0.00 179.01 177.22 2roa n VAL 55 N -4.03 0.32 -1.82 0.32 0.31 -0.81 -4.91 118.33 107.70 2roa n VAL 55 Ca 0.32 -0.17 -0.34 0.00 -0.01 0.00 0.00 64.34 64.13 2roa n VAL 55 Cb 1.52 -0.82 -0.04 0.00 -0.91 0.00 0.00 33.84 33.59 2roa n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2roa s ASP 56 N -3.91 4.82 0.42 4.52 -1.08 0.81 -4.74 116.67 117.51 2roa s ASP 56 Ca -0.04 0.48 0.22 0.00 -0.52 0.00 0.00 52.55 52.69 2roa s ASP 56 Cb 0.02 -2.52 0.83 0.00 -1.46 0.00 0.00 42.92 39.79 2roa s ASP 56 CO 0.17 -2.74 1.79 0.00 0.52 0.00 0.00 175.17 174.92 2roa h ALA 57 N 16.11 1.01 0.00 3.66 0.00 -1.85 -3.18 119.26 135.00 2roa h ALA 57 Ca -0.19 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.31 2roa h ALA 57 Cb 1.17 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2roa h ALA 57 CO 1.18 0.33 -2.16 -0.40 0.00 0.00 0.00 179.25 178.20 2roa n ASP 58 N -3.42 0.08 -2.05 0.00 5.68 -1.26 -5.01 116.55 110.57 2roa n ASP 58 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.16 2roa n ASP 58 Cb 0.46 1.53 0.03 0.00 -1.14 0.00 0.00 41.12 42.00 2roa n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2roa n GLY 59 N 1.50 0.03 0.22 6.12 0.00 -1.20 -4.91 105.19 106.95 2roa n GLY 59 Ca -0.17 -0.20 0.15 0.00 0.00 0.00 0.00 46.02 45.80 2roa n GLY 59 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2roa h ASN 60 N -1.15 0.00 0.00 1.61 4.21 -1.95 -3.46 115.58 114.85 2roa h ASN 60 Ca -0.32 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.19 2roa h ASN 60 Cb 1.21 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.41 2roa h ASN 60 CO 0.33 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 177.08 2roa n GLY 61 N 0.12 0.39 3.44 2.83 0.00 -1.26 -5.06 105.19 105.64 2roa n GLY 61 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 0.67 -0.19 2.61 -4.23 -1.26 -3.27 115.64 107.97 2roa s THR 62 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 2roa s THR 62 Cb 0.00 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.32 2roa s THR 62 CO 0.00 0.00 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.31 2roa s ILE 63 N -3.38 2.63 0.64 2.99 1.01 -0.46 -4.88 121.20 119.74 2roa s ILE 63 Ca 0.31 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 2roa s ILE 63 Cb 0.05 -2.14 0.05 0.00 0.01 0.00 0.00 42.46 40.42 2roa s ILE 63 CO 0.15 0.49 0.91 -0.70 0.00 0.00 0.00 174.94 175.80 2roa s GLU 64 N 1.29 2.35 0.14 2.79 2.12 -1.26 -2.05 118.70 124.09 2roa s GLU 64 Ca 0.04 -0.47 -0.18 0.00 0.36 0.00 0.00 54.97 54.72 2roa s GLU 64 Cb -0.14 -2.30 0.03 0.00 0.26 0.00 0.00 34.13 31.98 2roa s GLU 64 CO -0.08 -1.01 1.72 0.35 -0.54 0.00 0.00 175.26 175.70 2roa h PHE 65 N -0.31 0.01 -0.69 5.30 3.57 -1.99 0.71 116.94 123.55 2roa h PHE 65 Ca -0.43 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.05 2roa h PHE 65 Cb 1.31 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 40.05 2roa h PHE 65 CO 0.35 -0.03 0.29 0.22 -2.23 0.00 0.00 178.31 176.91 2roa h ASP 66 N 0.10 0.91 -0.48 0.41 3.58 -1.98 0.26 116.42 119.23 2roa h ASP 66 Ca 0.14 -0.12 -0.10 0.00 0.42 0.00 0.00 57.03 57.36 2roa h ASP 66 Cb 0.17 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 2roa h ASP 66 CO -0.22 0.80 -0.11 -0.33 -2.88 0.00 0.00 179.24 176.51 2roa h GLU 67 N 0.99 0.92 -0.47 0.28 5.08 -1.66 -2.07 114.58 117.65 2roa h GLU 67 Ca 0.23 -0.35 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 2roa h GLU 67 Cb 0.16 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2roa h GLU 67 CO -0.02 1.00 -0.16 0.35 -1.00 0.00 0.00 179.01 179.18 2roa h PHE 68 N 0.77 1.00 -0.81 4.33 3.57 0.95 -0.54 116.94 126.20 2roa h PHE 68 Ca 0.12 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 2roa h PHE 68 Cb 0.66 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 2roa h PHE 68 CO 0.05 0.98 0.48 1.25 -2.23 0.00 0.00 178.31 178.84 2roa h LEU 69 N 0.79 0.99 -0.16 0.59 5.85 -0.30 1.08 115.31 124.14 2roa h LEU 69 Ca 0.12 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 2roa h LEU 69 Cb 0.69 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 2roa h LEU 69 CO 0.05 0.77 -0.17 0.77 -0.34 0.00 0.00 178.44 179.53 2roa h SER 70 N 1.12 0.42 -0.44 1.25 4.64 -1.18 -2.32 113.55 117.04 2roa h SER 70 Ca 0.29 -0.49 -0.04 0.00 -0.47 0.00 0.00 61.79 61.09 2roa h SER 70 Cb -0.02 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 2roa h SER 70 CO -0.05 0.82 0.13 0.25 -0.87 0.00 0.00 176.83 177.11 2roa h LEU 71 N 0.02 0.64 -0.12 5.97 5.85 -0.74 0.27 115.31 127.20 2roa h LEU 71 Ca 0.02 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.57 2roa h LEU 71 Cb 0.71 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 2roa h LEU 71 CO 0.04 0.68 -0.16 -0.03 -0.34 0.00 0.00 178.44 178.64 2roa h MET 72 N 0.57 -0.19 -0.67 1.25 4.05 0.12 0.86 114.93 120.92 2roa h MET 72 Ca 0.14 0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.50 2roa h MET 72 Cb 0.27 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.09 2roa h MET 72 CO -0.00 -0.13 0.14 0.00 0.23 0.00 0.00 176.91 177.15 2roa h ALA 73 N 0.85 0.97 -0.04 0.39 0.00 -1.27 -1.35 119.26 118.81 2roa h ALA 73 Ca 0.09 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2roa h ALA 73 Cb 0.33 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2roa h ALA 73 CO -0.24 0.65 0.06 -0.22 0.00 0.00 0.00 179.25 179.51 2roa h LYS 74 N 1.02 0.00 0.12 0.00 3.64 0.70 3.30 116.57 125.36 2roa h LYS 74 Ca 0.21 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.30 2roa h LYS 74 Cb 0.40 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2roa h LYS 74 CO 0.01 0.00 -1.52 -0.22 -2.27 0.00 0.00 179.45 175.45 2roa h LYS 75 N 0.00 0.25 -0.72 1.90 1.63 0.04 -3.37 116.57 116.29 2roa h LYS 75 Ca 0.02 -0.42 -0.50 0.00 -0.85 0.00 0.00 60.65 58.90 2roa h LYS 75 Cb 0.15 0.16 -0.32 0.00 -0.60 0.00 0.00 32.23 31.62 2roa h LYS 75 CO -0.00 1.20 -0.19 0.28 -3.45 0.00 0.00 179.45 177.29 2roa n VAL 76 N -3.86 2.84 -0.04 2.00 0.31 -0.60 -4.73 118.33 114.24 2roa n VAL 76 Ca -0.26 -3.53 0.14 0.00 -0.01 0.00 0.00 64.34 60.68 2roa n VAL 76 Cb 0.92 -0.95 0.57 0.00 -0.91 0.00 0.00 33.84 33.47 2roa n VAL 76 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2roa h LYS 77 N 1.85 0.25 0.14 5.55 3.64 0.59 -2.30 116.57 126.29 2roa h LYS 77 Ca 0.40 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.78 2roa h LYS 77 Cb 1.37 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 33.09 2roa h LYS 77 CO 0.90 0.17 -0.41 -0.44 -2.27 0.00 0.00 179.45 177.40 2roa h ASP 78 N 0.26 -1.20 0.00 4.20 3.32 -1.85 -3.50 116.42 117.66 2roa h ASP 78 Ca 0.26 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.44 2roa h ASP 78 Cb 0.67 0.45 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2roa h ASP 78 CO -0.05 -0.49 0.00 0.41 -1.72 0.00 0.00 179.24 177.39