#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 6.13 0.00 0.00 1.01 -1.26 -4.87 116.67 117.68 2roa s ASP 2 Ca 0.00 0.51 0.00 0.00 0.71 0.00 0.00 52.55 53.77 2roa s ASP 2 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2roa s ASP 2 CO 0.00 -1.66 0.00 -0.38 0.21 0.00 0.00 175.17 173.34 2roa n ILE 3 N 6.98 0.00 0.65 0.77 5.41 -1.26 -4.59 119.36 127.32 2roa n ILE 3 Ca 0.15 0.20 0.12 0.00 1.00 0.00 0.00 62.75 64.22 2roa n ILE 3 Cb 0.49 -0.70 0.14 0.00 -0.71 0.00 0.00 39.64 38.86 2roa n ILE 3 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2roa n LEU 4 N 0.00 0.64 0.00 1.39 7.94 -1.26 -5.00 117.00 120.71 2roa n LEU 4 Ca 0.00 0.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 2roa n LEU 4 Cb 0.00 -0.17 0.00 0.00 0.53 0.00 0.00 43.42 43.78 2roa n LEU 4 CO 0.00 0.01 0.00 -1.20 -1.11 0.00 0.00 177.39 175.09 2roa n SER 5 N -1.95 0.00 -4.56 1.96 7.64 -1.26 -5.05 113.62 110.40 2roa n SER 5 Ca 0.03 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.50 2roa n SER 5 Cb 0.42 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.60 2roa n SER 5 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2roa s GLU 6 N 0.00 3.70 -0.05 1.43 2.02 -1.26 -4.76 118.70 119.78 2roa s GLU 6 Ca 0.00 -1.40 -0.04 0.00 0.02 0.00 0.00 54.97 53.55 2roa s GLU 6 Cb 0.00 -5.37 -0.01 0.00 0.10 0.00 0.00 34.13 28.84 2roa s GLU 6 CO 0.00 -2.19 -0.08 -1.91 0.02 0.00 0.00 175.26 171.10 2roa n GLU 7 N 8.58 0.15 -0.14 1.61 4.07 -1.26 -3.62 120.64 130.02 2roa n GLU 7 Ca 0.37 0.22 0.00 0.00 -0.06 0.00 0.00 57.16 57.69 2roa n GLU 7 Cb 0.50 -0.94 0.27 0.00 -0.06 0.00 0.00 31.44 31.21 2roa n GLU 7 CO 0.00 0.00 0.00 -0.56 -0.06 0.00 0.00 177.13 176.51 2roa h GLN 8 N -0.31 0.84 -0.43 5.31 3.07 -1.91 -1.35 115.11 120.33 2roa h GLN 8 Ca 0.00 -0.08 -0.04 0.00 0.09 0.00 0.00 58.65 58.62 2roa h GLN 8 Cb 0.23 -0.17 -0.02 0.00 0.08 0.00 0.00 27.48 27.59 2roa h GLN 8 CO 0.00 0.61 0.12 0.82 0.09 0.00 0.00 178.83 180.47 2roa h ILE 9 N 0.85 1.23 -0.28 1.86 1.08 -1.93 0.51 117.51 120.83 2roa h ILE 9 Ca 0.22 -0.77 -0.01 0.00 -0.39 0.00 0.00 64.86 63.91 2roa h ILE 9 Cb 0.00 0.92 -0.01 0.00 -3.07 0.00 0.00 36.82 34.66 2roa h ILE 9 CO -0.04 0.27 0.13 0.58 -0.69 0.00 0.00 178.15 178.41 2roa h VAL 10 N 0.55 1.15 -0.96 1.67 2.07 -1.49 0.85 116.25 120.10 2roa h VAL 10 Ca 0.14 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2roa h VAL 10 Cb 0.29 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 2roa h VAL 10 CO -0.00 0.15 0.61 -0.78 0.02 0.00 0.00 177.57 177.57 2roa h ASP 11 N 0.32 1.12 0.27 0.57 3.58 -1.10 0.97 116.42 122.15 2roa h ASP 11 Ca 0.10 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 2roa h ASP 11 Cb 0.12 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.89 2roa h ASP 11 CO -0.01 0.83 -0.13 -0.26 -2.88 0.00 0.00 179.24 176.79 2roa h PHE 12 N 1.31 -0.33 -0.95 0.28 -1.00 -0.44 -0.89 116.94 114.91 2roa h PHE 12 Ca 0.35 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 61.15 2roa h PHE 12 Cb -0.11 0.11 -0.05 0.00 3.61 0.00 0.00 35.95 39.51 2roa h PHE 12 CO 0.00 0.01 0.62 -0.22 -1.61 0.00 0.00 178.31 177.12 2roa h LYS 13 N -0.94 1.17 -0.39 1.51 3.11 0.84 0.77 116.57 122.64 2roa h LYS 13 Ca -0.04 -0.07 -0.06 0.00 -2.81 0.00 0.00 60.65 57.67 2roa h LYS 13 Cb 0.49 -0.26 -0.02 0.00 -1.00 0.00 0.00 32.23 31.44 2roa h LYS 13 CO 0.06 0.77 -0.02 1.49 -2.81 0.00 0.00 179.45 178.95 2roa h GLU 14 N 1.20 0.63 -0.46 1.90 4.81 0.95 0.47 114.58 124.08 2roa h GLU 14 Ca 0.37 -0.16 -0.13 0.00 -0.13 0.00 0.00 59.36 59.31 2roa h GLU 14 Cb -0.01 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2roa h GLU 14 CO -0.11 0.67 -0.23 0.00 -0.73 0.00 0.00 179.01 178.60 2roa h ALA 15 N 1.39 0.71 -0.14 2.92 0.00 0.39 -1.63 119.26 122.90 2roa h ALA 15 Ca 0.12 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2roa h ALA 15 Cb 0.40 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2roa h ALA 15 CO 0.02 0.67 -0.06 0.35 0.00 0.00 0.00 179.25 180.23 2roa h PHE 16 N 0.83 0.32 -0.78 0.00 3.57 -0.36 -1.84 116.94 118.69 2roa h PHE 16 Ca 0.10 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.54 2roa h PHE 16 Cb 0.80 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 2roa h PHE 16 CO 0.05 0.60 0.51 0.78 -2.23 0.00 0.00 178.31 178.03 2roa h GLY 17 N -0.06 1.10 1.28 2.40 0.00 -0.91 0.24 103.07 107.12 2roa h GLY 17 Ca 0.03 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 2roa h GLY 17 CO 0.02 0.39 0.21 -2.00 0.00 0.00 0.00 176.54 175.16 2roa h LEU 18 N 1.05 0.84 -0.39 3.11 6.46 -1.26 -2.61 115.31 122.50 2roa h LEU 18 Ca 0.29 -0.13 -0.17 0.00 -0.12 0.00 0.00 57.88 57.74 2roa h LEU 18 Cb -0.11 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 39.60 2roa h LEU 18 CO -0.07 0.78 -0.52 -0.26 -0.62 0.00 0.00 178.44 177.75 2roa h PHE 19 N 0.89 0.97 -0.72 1.25 -1.00 -0.42 -3.15 116.94 114.76 2roa h PHE 19 Ca 0.20 -0.33 -0.39 0.00 2.81 0.00 0.00 57.97 60.25 2roa h PHE 19 Cb 0.23 -0.19 -0.14 0.00 3.61 0.00 0.00 35.95 39.46 2roa h PHE 19 CO 0.02 1.13 0.18 -3.47 -1.61 0.00 0.00 178.31 174.56 2roa n ASP 20 N -4.00 6.13 -0.46 2.17 2.03 0.75 -4.72 116.55 118.46 2roa n ASP 20 Ca -0.04 -2.99 0.37 0.00 0.52 0.00 0.00 54.79 52.65 2roa n ASP 20 Cb 0.61 -1.26 0.56 0.00 -0.72 0.00 0.00 41.12 40.30 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 1.26 0.00 0.17 -0.67 5.02 -1.19 0.31 118.16 123.05 2roa n LYS 21 Ca 0.45 0.83 0.02 0.00 -2.02 0.00 0.00 58.31 57.59 2roa n LYS 21 Cb 0.65 -1.95 0.27 0.00 -0.02 0.00 0.00 35.03 33.98 2roa n LYS 21 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2roa h ASP 22 N 0.00 0.00 0.00 4.39 3.32 -1.86 -3.47 116.42 118.80 2roa h ASP 22 Ca 0.64 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.69 2roa h ASP 22 Cb 2.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.32 2roa h ASP 22 CO -0.01 0.48 0.00 0.61 -1.72 0.00 0.00 179.24 178.60 2roa n GLY 23 N 0.19 0.55 0.00 2.75 0.00 0.91 -4.88 105.19 104.70 2roa n GLY 23 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.02 0.00 0.00 1.61 5.75 -1.26 -4.83 116.55 117.80 2roa n ASP 24 Ca 0.00 0.48 0.00 0.00 -0.01 0.00 0.00 54.79 55.26 2roa n ASP 24 Cb 0.01 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 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 -0.23 1.48 3.03 6.12 0.00 -1.26 -5.01 105.19 109.32 2roa n GLY 25 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 0.52 5.24 0.66 0.00 1.01 -0.87 -4.92 121.20 122.83 2roa s ILE 27 Ca -0.11 -0.34 -0.09 0.00 0.00 0.00 0.00 60.65 60.10 2roa s ILE 27 Cb -0.14 -3.75 0.01 0.00 0.01 0.00 0.00 42.46 38.59 2roa s ILE 27 CO 0.03 -0.08 1.02 0.42 0.00 0.00 0.00 174.94 176.33 2roa s THR 28 N 1.71 3.67 0.23 2.92 -4.23 -1.26 -0.75 115.64 117.92 2roa s THR 28 Ca 0.06 0.35 -0.08 0.00 -1.18 0.00 0.00 61.69 60.84 2roa s THR 28 Cb -0.18 -3.51 0.19 0.00 1.34 0.00 0.00 72.50 70.34 2roa s THR 28 CO 0.10 -0.62 1.86 1.62 -0.54 0.00 0.00 174.62 177.04 2roa h VAL 29 N -0.45 1.09 -0.91 2.29 3.04 -1.96 0.14 116.25 119.50 2roa h VAL 29 Ca -0.45 -0.33 0.04 0.00 -1.01 0.00 0.00 66.70 64.95 2roa h VAL 29 Cb 1.25 0.04 -0.05 0.00 -2.01 0.00 0.00 31.29 30.52 2roa h VAL 29 CO 0.63 0.18 0.60 -0.33 -1.01 0.00 0.00 177.57 177.63 2roa h GLU 30 N 0.96 1.08 -0.23 4.17 5.08 -1.93 0.15 114.58 123.87 2roa h GLU 30 Ca 0.33 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.45 2roa h GLU 30 Cb 0.06 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 2roa h GLU 30 CO -0.13 0.72 -0.55 0.93 -1.00 0.00 0.00 179.01 178.97 2roa h GLU 31 N 1.12 0.70 -0.47 2.33 5.08 -1.58 -2.34 114.58 119.42 2roa h GLU 31 Ca 0.37 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2roa h GLU 31 Cb 0.06 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2roa h GLU 31 CO -0.12 1.07 0.23 1.25 -1.00 0.00 0.00 179.01 180.44 2roa h LEU 32 N 0.54 0.61 -0.98 1.33 5.85 0.31 -0.28 115.31 122.69 2roa h LEU 32 Ca 0.01 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.68 2roa h LEU 32 Cb 1.13 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.93 2roa h LEU 32 CO 0.11 0.56 0.63 0.00 -0.34 0.00 0.00 178.44 179.41 2roa h ALA 33 N 1.07 1.37 -0.65 1.25 0.00 -0.62 0.49 119.26 122.17 2roa h ALA 33 Ca 0.16 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2roa h ALA 33 Cb 0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2roa h ALA 33 CO -0.02 0.40 0.20 1.15 0.00 0.00 0.00 179.25 180.98 2roa h THR 34 N 1.13 1.25 -0.14 0.00 2.02 -0.81 0.78 112.91 117.15 2roa h THR 34 Ca 0.43 -0.87 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 2roa h THR 34 Cb 0.19 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 2roa h THR 34 CO -0.18 0.33 -0.03 0.58 0.37 0.00 0.00 175.52 176.59 2roa h VAL 35 N 0.95 1.29 -0.60 3.16 2.07 0.68 -1.39 116.25 122.42 2roa h VAL 35 Ca 0.21 -0.98 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 2roa h VAL 35 Cb 0.30 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 2roa h VAL 35 CO -0.01 0.29 0.09 0.40 0.02 0.00 0.00 177.57 178.36 2roa h ILE 36 N -0.04 1.25 -0.92 4.57 1.08 0.02 -0.45 117.51 123.03 2roa h ILE 36 Ca 0.04 -0.99 0.02 0.00 -0.39 0.00 0.00 64.86 63.54 2roa h ILE 36 Cb 0.46 0.70 -0.05 0.00 -3.07 0.00 0.00 36.82 34.86 2roa h ILE 36 CO 0.01 0.36 0.61 -0.09 -0.69 0.00 0.00 178.15 178.35 2roa h ARG 37 N 0.91 1.18 -0.08 2.37 2.43 0.99 -1.82 114.38 120.36 2roa h ARG 37 Ca 0.18 -0.07 -0.18 0.00 -0.81 0.00 0.00 59.98 59.10 2roa h ARG 37 Cb 0.41 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2roa h ARG 37 CO 0.01 0.78 -0.72 1.03 -1.51 0.00 0.00 179.97 179.56 2roa h SER 38 N 1.21 0.48 -0.74 -3.80 0.87 -0.78 -3.28 113.55 107.51 2roa h SER 38 Ca 0.35 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 2roa h SER 38 Cb -0.08 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 61.70 2roa h SER 38 CO -0.09 1.05 0.42 -0.07 -0.53 0.00 0.00 176.83 177.60 2roa h LEU 39 N 0.28 0.92 0.00 2.23 3.38 -0.50 -3.46 115.31 118.16 2roa h LEU 39 Ca -0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2roa h LEU 39 Cb 1.29 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2roa h LEU 39 CO 0.12 0.74 0.00 0.47 0.09 0.00 0.00 178.44 179.86 2roa n ASP 40 N -4.47 0.00 -4.11 -0.43 8.00 -0.98 -5.10 116.55 109.46 2roa n ASP 40 Ca 0.07 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.47 2roa n ASP 40 Cb 0.08 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.08 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 0.00 0.68 -0.46 -1.24 -0.21 -0.74 -5.05 119.66 112.64 2roa s GLN 41 Ca 0.00 -1.18 0.07 0.00 0.02 0.00 0.00 55.36 54.27 2roa s GLN 41 Cb 0.00 -0.03 0.25 0.00 1.00 0.00 0.00 33.01 34.23 2roa s GLN 41 CO 0.00 -0.05 0.83 0.27 -2.12 0.00 0.00 175.29 174.22 2roa n ASN 42 N 0.30 -2.15 -4.48 5.90 6.94 -1.26 -2.34 115.26 118.17 2roa n ASN 42 Ca -0.15 -3.20 -0.28 0.00 -0.02 0.00 0.00 54.58 50.92 2roa n ASN 42 Cb 0.60 1.28 0.26 0.00 -2.36 0.00 0.00 39.78 39.56 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 0.21 -1.06 0.40 -0.53 0.02 -1.26 -4.98 135.00 127.80 2roa s PRO 43 Ca 0.32 0.84 -0.22 0.00 0.02 0.00 0.00 61.00 61.96 2roa s PRO 43 Cb 0.22 -1.54 -0.11 0.00 0.02 0.00 0.00 34.50 33.10 2roa s PRO 43 CO -0.20 -3.82 0.93 0.95 -0.33 0.00 0.00 177.00 174.53 2roa s THR 44 N -2.44 4.37 0.38 0.99 -4.23 -1.26 -4.82 115.64 108.63 2roa s THR 44 Ca 0.69 1.53 0.27 0.00 -1.18 0.00 0.00 61.69 63.00 2roa s THR 44 Cb -0.25 -3.69 0.43 0.00 1.34 0.00 0.00 72.50 70.32 2roa s THR 44 CO 0.65 -0.20 1.39 -0.62 -0.54 0.00 0.00 174.62 175.30 2roa n GLU 45 N -0.34 -0.04 0.07 3.99 1.02 -1.26 0.13 120.64 124.21 2roa n GLU 45 Ca 0.06 1.13 -0.11 0.00 -0.02 0.00 0.00 57.16 58.22 2roa n GLU 45 Cb 0.53 -2.20 -0.05 0.00 -0.02 0.00 0.00 31.44 29.70 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 -0.34 -0.78 3.49 4.39 -1.98 0.52 114.58 119.88 2roa h GLU 46 Ca 0.78 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.50 2roa h GLU 46 Cb 2.45 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 31.14 2roa h GLU 46 CO -0.46 -0.23 0.46 0.93 -1.16 0.00 0.00 179.01 178.55 2roa h GLU 47 N -0.35 1.06 -0.75 2.33 3.07 0.74 0.32 114.58 121.01 2roa h GLU 47 Ca 0.05 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 2roa h GLU 47 Cb 0.42 -0.22 -0.04 0.00 -0.84 0.00 0.00 28.75 28.07 2roa h GLU 47 CO -0.18 0.76 0.45 -0.07 -1.40 0.00 0.00 179.01 178.57 2roa h LEU 48 N 1.07 0.90 -0.37 1.33 4.07 -0.77 0.23 115.31 121.77 2roa h LEU 48 Ca 0.28 -0.07 -0.10 0.00 0.08 0.00 0.00 57.88 58.07 2roa h LEU 48 Cb -0.02 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.48 2roa h LEU 48 CO -0.05 0.70 -0.15 -0.61 -1.08 0.00 0.00 178.44 177.25 2roa h GLN 49 N 1.02 0.75 -0.78 1.13 5.75 0.79 0.05 115.11 123.82 2roa h GLN 49 Ca 0.27 -0.32 -0.04 0.00 -0.15 0.00 0.00 58.65 58.41 2roa h GLN 49 Cb -0.03 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 2roa h GLN 49 CO -0.05 0.93 0.31 0.22 -2.65 0.00 0.00 178.83 177.59 2roa h ASP 50 N 0.54 1.07 -0.24 -0.69 1.82 0.10 0.94 116.42 119.96 2roa h ASP 50 Ca 0.08 -0.16 -0.09 0.00 -0.39 0.00 0.00 57.03 56.47 2roa h ASP 50 Cb 0.69 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 40.42 2roa h ASP 50 CO 0.05 0.95 -0.22 0.24 -1.61 0.00 0.00 179.24 178.65 2roa h MET 51 N 1.13 0.57 -0.34 0.28 2.86 -0.47 -0.09 114.93 118.88 2roa h MET 51 Ca 0.26 -0.29 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 2roa h MET 51 Cb 0.21 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2roa h MET 51 CO -0.02 0.88 0.00 0.82 1.06 0.00 0.00 176.91 179.65 2roa h ILE 52 N 0.28 1.26 -0.35 -1.22 2.04 -0.70 -2.64 117.51 116.18 2roa h ILE 52 Ca 0.04 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 2roa h ILE 52 Cb 0.77 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 2roa h ILE 52 CO 0.06 0.32 0.13 0.77 0.00 0.00 0.00 178.15 179.42 2roa h SER 53 N 0.42 0.44 -0.39 1.72 4.64 0.95 2.64 113.55 123.97 2roa h SER 53 Ca 0.10 -0.04 0.01 0.00 -0.47 0.00 0.00 61.79 61.39 2roa h SER 53 Cb 0.45 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 2roa h SER 53 CO 0.02 0.42 0.26 -0.08 -0.87 0.00 0.00 176.83 176.58 2roa h GLU 54 N 0.49 0.47 0.00 4.77 4.81 -0.63 -3.23 114.58 121.26 2roa h GLU 54 Ca 0.12 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.14 2roa h GLU 54 Cb 0.12 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 2roa h GLU 54 CO -0.01 0.31 -1.71 1.55 -0.73 0.00 0.00 179.01 178.42 2roa n VAL 55 N -4.48 0.71 -1.53 0.32 3.14 -0.67 -4.80 118.33 111.01 2roa n VAL 55 Ca 0.03 -0.41 -0.27 0.00 -2.96 0.00 0.00 64.34 60.73 2roa n VAL 55 Cb 0.10 -0.76 -0.09 0.00 -1.06 0.00 0.00 33.84 32.02 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 -2.45 2.01 0.23 6.55 -0.08 0.88 -4.62 116.55 119.07 2roa n ASP 56 Ca -0.18 -2.59 0.18 0.00 -1.51 0.00 0.00 54.79 50.70 2roa n ASP 56 Cb 0.82 -1.48 0.86 0.00 2.34 0.00 0.00 41.12 43.67 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 10.31 1.65 0.00 -1.67 0.00 -1.84 0.30 119.26 128.01 2roa h ALA 57 Ca 0.16 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2roa h ALA 57 Cb 0.89 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2roa h ALA 57 CO 1.35 -0.32 -1.86 -0.40 0.00 0.00 0.00 179.25 178.01 2roa n ASP 58 N -3.49 0.22 -2.81 0.00 5.68 -1.26 -5.01 116.55 109.87 2roa n ASP 58 Ca 0.01 0.09 -0.15 0.00 -0.50 0.00 0.00 54.79 54.24 2roa n ASP 58 Cb 0.35 1.38 0.06 0.00 -1.14 0.00 0.00 41.12 41.78 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 1.36 -0.16 0.09 6.12 0.00 0.09 -4.93 105.19 107.76 2roa n GLY 59 Ca -0.10 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.65 0.00 0.00 1.61 -0.00 -1.95 -3.48 115.58 110.11 2roa h ASN 60 Ca -0.43 -0.13 0.00 0.00 -0.00 0.00 0.00 56.30 55.74 2roa h ASN 60 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.58 2roa h ASN 60 CO 0.39 0.06 0.00 0.61 -0.00 0.00 0.00 177.43 178.49 2roa n GLY 61 N 1.26 0.89 3.09 9.14 0.00 -1.26 -5.07 105.19 113.25 2roa n GLY 61 Ca 0.02 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 0.27 -0.15 2.61 -4.23 -1.26 -3.36 115.64 107.53 2roa s THR 62 Ca 0.00 -1.77 -0.01 0.00 -1.18 0.00 0.00 61.69 58.73 2roa s THR 62 Cb 0.00 -1.47 -0.01 0.00 1.34 0.00 0.00 72.50 72.36 2roa s THR 62 CO 0.00 -0.95 -0.12 -0.63 -0.54 0.00 0.00 174.62 172.38 2roa s ILE 63 N -3.74 3.09 0.50 2.99 1.01 0.07 -4.89 121.20 120.24 2roa s ILE 63 Ca 0.06 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 60.13 2roa s ILE 63 Cb 0.07 -2.32 0.04 0.00 0.01 0.00 0.00 42.46 40.26 2roa s ILE 63 CO -0.09 0.51 0.70 -1.61 0.00 0.00 0.00 174.94 174.45 2roa s GLU 64 N 0.55 2.58 0.12 2.79 2.02 -1.26 -2.05 118.70 123.44 2roa s GLU 64 Ca -0.08 -1.16 -0.24 0.00 0.02 0.00 0.00 54.97 53.51 2roa s GLU 64 Cb -0.15 -2.63 -0.06 0.00 0.10 0.00 0.00 34.13 31.39 2roa s GLU 64 CO 0.04 -0.58 1.67 0.35 0.02 0.00 0.00 175.26 176.75 2roa h PHE 65 N 0.31 -0.44 -0.88 1.61 3.57 -1.98 1.06 116.94 120.19 2roa h PHE 65 Ca -0.39 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.14 2roa h PHE 65 Cb 1.29 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 40.18 2roa h PHE 65 CO 0.35 -0.24 0.58 -0.44 -2.23 0.00 0.00 178.31 176.33 2roa h ASP 66 N -0.27 1.00 -0.32 0.41 3.32 -1.98 0.29 116.42 118.87 2roa h ASP 66 Ca 0.06 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 2roa h ASP 66 Cb 0.35 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2roa h ASP 66 CO -0.17 0.71 0.03 -0.33 -1.72 0.00 0.00 179.24 177.76 2roa h GLU 67 N 1.17 0.55 -0.74 3.56 5.08 -1.76 -1.14 114.58 121.29 2roa h GLU 67 Ca 0.33 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2roa h GLU 67 Cb -0.11 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 2roa h GLU 67 CO -0.08 0.65 0.46 0.35 -1.00 0.00 0.00 179.01 179.39 2roa h PHE 68 N 0.36 0.97 -0.60 4.33 3.57 0.18 -0.39 116.94 125.37 2roa h PHE 68 Ca 0.10 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 2roa h PHE 68 Cb 0.39 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2roa h PHE 68 CO 0.03 0.65 0.19 1.25 -2.23 0.00 0.00 178.31 178.19 2roa h LEU 69 N 1.01 0.87 -0.32 0.59 6.46 -0.26 0.47 115.31 124.13 2roa h LEU 69 Ca 0.27 -0.20 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 2roa h LEU 69 Cb -0.05 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.64 2roa h LEU 69 CO -0.05 0.84 0.14 0.28 -0.62 0.00 0.00 178.44 179.02 2roa h SER 70 N 0.85 0.44 -0.79 1.25 0.02 -0.79 -1.85 113.55 112.67 2roa h SER 70 Ca 0.19 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 2roa h SER 70 Cb 0.28 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 2roa h SER 70 CO -0.01 0.47 0.32 0.25 -1.14 0.00 0.00 176.83 176.73 2roa h LEU 71 N 0.37 1.08 -0.74 5.07 5.85 -0.87 -1.35 115.31 124.72 2roa h LEU 71 Ca 0.11 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.68 2roa h LEU 71 Cb 0.17 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2roa h LEU 71 CO -0.01 0.95 0.48 0.24 -0.34 0.00 0.00 178.44 179.76 2roa h MET 72 N 1.14 0.93 0.05 1.25 2.86 -0.65 -1.68 114.93 118.83 2roa h MET 72 Ca 0.26 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2roa h MET 72 Cb 0.20 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2roa h MET 72 CO -0.02 0.62 -0.02 0.00 1.06 0.00 0.00 176.91 178.54 2roa h ALA 73 N 1.29 -0.07 -0.60 6.32 0.00 -0.89 0.50 119.26 125.81 2roa h ALA 73 Ca 0.29 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.26 2roa h ALA 73 Cb -0.05 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2roa h ALA 73 CO -0.09 -0.43 0.51 0.87 0.00 0.00 0.00 179.25 180.11 2roa h LYS 74 N -0.28 0.00 0.20 0.00 1.57 -0.91 3.58 116.57 120.73 2roa h LYS 74 Ca -0.01 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.43 2roa h LYS 74 Cb 0.25 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.58 2roa h LYS 74 CO 0.01 0.00 -1.67 0.87 -0.57 0.00 0.00 179.45 178.09 2roa h LYS 75 N 0.00 0.42 -0.70 3.15 6.56 -0.81 -3.36 116.57 121.83 2roa h LYS 75 Ca 0.29 -0.72 -0.49 0.00 -1.06 0.00 0.00 60.65 58.67 2roa h LYS 75 Cb 1.30 0.27 -0.32 0.00 -0.57 0.00 0.00 32.23 32.90 2roa h LYS 75 CO -0.00 1.35 -0.30 0.28 -2.06 0.00 0.00 179.45 178.71 2roa n VAL 76 N -3.65 2.76 -0.17 0.50 0.31 0.21 -4.75 118.33 113.55 2roa n VAL 76 Ca -0.23 -3.63 -0.07 0.00 -0.01 0.00 0.00 64.34 60.39 2roa n VAL 76 Cb 1.07 -0.95 0.02 0.00 -0.91 0.00 0.00 33.84 33.06 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 1.87 0.68 0.29 5.55 3.64 0.65 -3.27 116.57 125.98 2roa h LYS 77 Ca 0.38 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 2roa h LYS 77 Cb 1.38 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2roa h LYS 77 CO 0.84 0.50 -0.14 -0.44 -2.27 0.00 0.00 179.45 177.94 2roa h ASP 78 N 0.67 -0.33 0.00 4.20 3.32 -1.85 -3.50 116.42 118.93 2roa h ASP 78 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2roa h ASP 78 Cb -0.00 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2roa h ASP 78 CO -0.03 0.12 0.00 1.07 -1.72 0.00 0.00 179.24 178.68