#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 7.18 0.39 0.00 -4.77 -1.26 -4.47 116.67 113.75 2roa s ASP 2 Ca 0.00 -3.31 0.00 0.00 -3.30 0.00 0.00 52.55 45.94 2roa s ASP 2 Cb 0.00 -2.25 0.00 0.00 -1.09 0.00 0.00 42.92 39.58 2roa s ASP 2 CO 0.00 -0.44 0.00 0.00 0.70 0.00 0.00 175.17 175.43 2roa n ILE 3 N 3.33 0.00 -0.01 2.11 0.13 -1.26 -4.98 119.36 118.69 2roa n ILE 3 Ca 0.25 0.00 -0.12 0.00 -1.10 0.00 0.00 62.75 61.78 2roa n ILE 3 Cb 0.41 -0.07 -0.10 0.00 -0.84 0.00 0.00 39.64 39.04 2roa n ILE 3 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 2roa h LEU 4 N 0.00 -0.06 0.00 9.51 3.38 -2.11 -3.46 115.31 122.56 2roa h LEU 4 Ca 0.00 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2roa h LEU 4 Cb 0.00 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2roa h LEU 4 CO 0.00 0.59 0.00 -1.54 0.09 0.00 0.00 178.44 177.58 2roa n SER 5 N -4.81 0.00 -1.77 -0.43 3.41 -1.26 -4.54 113.62 104.23 2roa n SER 5 Ca -0.08 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.50 2roa n SER 5 Cb 0.31 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.27 2roa n SER 5 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2roa n GLU 6 N 0.00 -0.41 -0.01 4.33 1.02 -1.26 -5.05 120.64 119.25 2roa n GLU 6 Ca 0.00 0.14 -0.01 0.00 -0.02 0.00 0.00 57.16 57.27 2roa n GLU 6 Cb 0.00 -2.26 -0.00 0.00 -0.02 0.00 0.00 31.44 29.15 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 -1.77 0.08 0.26 3.49 4.07 -1.26 -3.84 120.64 121.66 2roa n GLU 7 Ca -0.01 0.19 0.10 0.00 -0.06 0.00 0.00 57.16 57.37 2roa n GLU 7 Cb 0.52 -0.80 0.68 0.00 -0.06 0.00 0.00 31.44 31.78 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 -0.16 0.00 -0.37 5.31 3.07 -1.96 -1.98 115.11 119.01 2roa h GLN 8 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 2roa h GLN 8 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.66 2roa h GLN 8 CO 0.00 0.06 0.15 0.82 0.09 0.00 0.00 178.83 179.96 2roa h ILE 9 N 0.00 1.19 -0.23 1.86 1.08 -1.98 0.88 117.51 120.31 2roa h ILE 9 Ca -0.00 -0.57 -0.01 0.00 -0.39 0.00 0.00 64.86 63.89 2roa h ILE 9 Cb 0.13 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 34.74 2roa h ILE 9 CO 0.01 0.20 0.09 0.58 -0.69 0.00 0.00 178.15 178.35 2roa h VAL 10 N 0.45 1.16 -0.60 1.67 2.07 -1.48 0.23 116.25 119.75 2roa h VAL 10 Ca 0.12 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 2roa h VAL 10 Cb 0.17 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2roa h VAL 10 CO -0.01 0.16 0.25 0.44 0.02 0.00 0.00 177.57 178.43 2roa h ASP 11 N 0.22 0.83 -0.36 0.57 3.32 -1.23 -1.60 116.42 118.17 2roa h ASP 11 Ca 0.08 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2roa h ASP 11 Cb 0.17 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2roa h ASP 11 CO -0.01 0.77 0.23 -0.26 -1.72 0.00 0.00 179.24 178.25 2roa h PHE 12 N 0.84 0.46 -0.38 4.55 -1.00 0.11 -1.48 116.94 120.04 2roa h PHE 12 Ca 0.20 0.01 0.01 0.00 2.81 0.00 0.00 57.97 61.00 2roa h PHE 12 Cb 0.19 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.58 2roa h PHE 12 CO 0.01 0.30 0.25 -0.22 -1.61 0.00 0.00 178.31 177.04 2roa h LYS 13 N 0.48 0.47 -0.47 1.51 1.63 -0.24 -0.91 116.57 119.04 2roa h LYS 13 Ca 0.13 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.80 2roa h LYS 13 Cb -0.04 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.47 2roa h LYS 13 CO -0.03 0.31 -0.10 1.49 -3.45 0.00 0.00 179.45 177.67 2roa h GLU 14 N 0.48 0.85 -0.30 1.90 4.57 -0.32 -0.34 114.58 121.42 2roa h GLU 14 Ca 0.14 -0.29 -0.03 0.00 -1.18 0.00 0.00 59.36 58.01 2roa h GLU 14 Cb -0.01 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 2roa h GLU 14 CO -0.03 0.91 0.09 0.00 -1.18 0.00 0.00 179.01 178.80 2roa h ALA 15 N 1.11 0.39 -0.21 2.92 0.00 -0.31 -1.18 119.26 121.99 2roa h ALA 15 Ca 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2roa h ALA 15 Cb 0.61 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2roa h ALA 15 CO 0.04 0.03 0.08 0.35 0.00 0.00 0.00 179.25 179.75 2roa h PHE 16 N 0.32 0.31 -0.67 0.00 3.57 -1.12 -1.40 116.94 117.95 2roa h PHE 16 Ca 0.09 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.63 2roa h PHE 16 Cb 0.26 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 2roa h PHE 16 CO 0.01 0.36 0.37 0.78 -2.23 0.00 0.00 178.31 177.60 2roa h GLY 17 N 0.18 0.97 1.15 2.40 0.00 -0.98 0.21 103.07 107.00 2roa h GLY 17 Ca 0.07 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 2roa h GLY 17 CO -0.01 0.16 0.28 -2.00 0.00 0.00 0.00 176.54 174.97 2roa h LEU 18 N 0.68 1.00 -0.51 3.11 5.85 -1.04 -2.70 115.31 121.70 2roa h LEU 18 Ca 0.30 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.75 2roa h LEU 18 Cb 0.18 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2roa h LEU 18 CO -0.18 0.90 -0.14 -0.26 -0.34 0.00 0.00 178.44 178.42 2roa h PHE 19 N 1.06 1.12 -0.20 1.25 -1.00 -0.09 -3.19 116.94 115.88 2roa h PHE 19 Ca 0.24 -0.25 -0.61 0.00 2.81 0.00 0.00 57.97 60.17 2roa h PHE 19 Cb 0.22 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.50 2roa h PHE 19 CO 0.02 1.06 2.97 -3.47 -1.61 0.00 0.00 178.31 177.28 2roa n ASP 20 N -4.16 8.13 0.15 2.17 2.03 0.61 -4.72 116.55 120.76 2roa n ASP 20 Ca 0.01 -2.66 0.07 0.00 0.52 0.00 0.00 54.79 52.73 2roa n ASP 20 Cb 0.42 -1.50 0.11 0.00 -0.72 0.00 0.00 41.12 39.42 2roa n ASP 20 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2roa n LYS 21 N 3.08 0.02 0.04 -0.67 4.81 -1.21 0.31 118.16 124.55 2roa n LYS 21 Ca 0.71 0.85 -0.01 0.00 -0.87 0.00 0.00 58.31 58.99 2roa n LYS 21 Cb 0.34 -2.25 -0.08 0.00 0.02 0.00 0.00 35.03 33.06 2roa n LYS 21 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2roa h ASP 22 N 0.00 0.00 -0.00 3.14 3.32 -1.87 -3.48 116.42 117.53 2roa h ASP 22 Ca 0.12 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 2roa h ASP 22 Cb 1.99 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.54 2roa h ASP 22 CO -0.00 0.64 -0.00 0.61 -1.72 0.00 0.00 179.24 178.76 2roa n GLY 23 N 1.39 0.37 0.24 2.75 0.00 0.93 -4.87 105.19 106.00 2roa n GLY 23 Ca -0.08 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.93 -3.45 116.42 114.68 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 0.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.78 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 -0.67 0.74 2.99 7.15 0.00 -1.26 -5.06 105.19 109.08 2roa n GLY 25 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 5.15 0.74 0.00 1.01 -0.79 -4.95 121.20 122.96 2roa s ILE 27 Ca -0.11 -0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.40 2roa s ILE 27 Cb -0.14 -3.87 0.04 0.00 0.01 0.00 0.00 42.46 38.50 2roa s ILE 27 CO 0.02 -0.16 1.11 0.42 0.00 0.00 0.00 174.94 176.34 2roa s THR 28 N 2.05 3.13 0.19 2.92 -4.23 -1.26 -1.27 115.64 117.17 2roa s THR 28 Ca 0.12 0.37 -0.12 0.00 -1.18 0.00 0.00 61.69 60.88 2roa s THR 28 Cb -0.17 -3.32 0.10 0.00 1.34 0.00 0.00 72.50 70.45 2roa s THR 28 CO 0.12 -0.48 1.81 0.58 -0.54 0.00 0.00 174.62 176.11 2roa h VAL 29 N -0.81 1.00 -0.87 2.29 2.07 -1.96 0.30 116.25 118.27 2roa h VAL 29 Ca -0.46 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 66.92 2roa h VAL 29 Cb 1.27 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 2roa h VAL 29 CO 0.63 0.11 0.53 -0.33 0.02 0.00 0.00 177.57 178.54 2roa h GLU 30 N 0.62 0.94 -0.39 1.57 3.07 -1.93 0.70 114.58 119.16 2roa h GLU 30 Ca 0.25 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.93 2roa h GLU 30 Cb 0.10 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 2roa h GLU 30 CO -0.14 0.62 -0.22 0.93 -1.40 0.00 0.00 179.01 178.80 2roa h GLU 31 N 0.97 0.84 -0.41 2.33 5.08 -1.64 -1.86 114.58 119.89 2roa h GLU 31 Ca 0.38 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2roa h GLU 31 Cb 0.19 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2roa h GLU 31 CO -0.18 1.01 0.17 1.25 -1.00 0.00 0.00 179.01 180.26 2roa h LEU 32 N 0.64 0.57 -0.98 1.33 5.85 0.50 -1.39 115.31 121.83 2roa h LEU 32 Ca 0.08 -0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.74 2roa h LEU 32 Cb 0.78 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.58 2roa h LEU 32 CO 0.06 0.58 0.62 0.00 -0.34 0.00 0.00 178.44 179.36 2roa h ALA 33 N 1.01 1.45 -0.57 1.25 0.00 0.53 0.42 119.26 123.34 2roa h ALA 33 Ca 0.14 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2roa h ALA 33 Cb 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2roa h ALA 33 CO -0.01 0.26 0.22 1.15 0.00 0.00 0.00 179.25 180.87 2roa h THR 34 N 1.01 1.23 -0.04 0.00 2.02 -0.74 1.17 112.91 117.57 2roa h THR 34 Ca 0.47 -0.72 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2roa h THR 34 Cb 0.40 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 2roa h THR 34 CO -0.24 0.28 -0.01 0.58 0.37 0.00 0.00 175.52 176.50 2roa h VAL 35 N 0.79 1.28 -0.58 3.16 2.07 0.12 -0.99 116.25 122.10 2roa h VAL 35 Ca 0.19 -0.85 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 2roa h VAL 35 Cb 0.21 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 2roa h VAL 35 CO -0.01 0.23 0.05 0.40 0.02 0.00 0.00 177.57 178.26 2roa h ILE 36 N -0.26 1.26 -0.92 4.57 1.08 -0.19 0.36 117.51 123.41 2roa h ILE 36 Ca 0.01 -1.05 0.05 0.00 -0.39 0.00 0.00 64.86 63.48 2roa h ILE 36 Cb 0.37 0.81 -0.06 0.00 -3.07 0.00 0.00 36.82 34.86 2roa h ILE 36 CO 0.00 0.38 0.59 -0.09 -0.69 0.00 0.00 178.15 178.34 2roa h ARG 37 N 0.88 1.07 0.00 2.37 2.43 0.15 -0.59 114.38 120.69 2roa h ARG 37 Ca 0.17 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2roa h ARG 37 Cb 0.48 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2roa h ARG 37 CO 0.02 0.71 -0.35 0.43 -1.51 0.00 0.00 179.97 179.26 2roa n SER 38 N -4.54 0.67 -0.11 -3.80 7.64 -0.38 -3.98 113.62 109.11 2roa n SER 38 Ca 0.13 0.27 -0.12 0.00 1.01 0.00 0.00 58.87 60.16 2roa n SER 38 Cb 0.15 -0.21 -0.03 0.00 -1.01 0.00 0.00 64.21 63.11 2roa n SER 38 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2roa h LEU 39 N 0.00 0.69 0.00 -3.43 5.85 0.14 -3.47 115.31 115.08 2roa h LEU 39 Ca 0.00 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2roa h LEU 39 Cb 0.70 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2roa h LEU 39 CO 0.00 0.93 0.00 -0.67 -0.34 0.00 0.00 178.44 178.36 2roa n ASP 40 N -4.38 0.00 -4.08 1.25 2.03 -1.12 -5.08 116.55 105.18 2roa n ASP 40 Ca -0.03 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.21 2roa n ASP 40 Cb 0.37 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.67 2roa n ASP 40 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2roa s GLN 41 N 0.00 0.58 -0.46 -0.67 -0.21 -1.16 -5.08 119.66 112.66 2roa s GLN 41 Ca 0.00 -1.15 0.07 0.00 0.02 0.00 0.00 55.36 54.30 2roa s GLN 41 Cb 0.00 0.19 0.23 0.00 1.00 0.00 0.00 33.01 34.43 2roa s GLN 41 CO 0.00 -0.10 0.53 0.09 -2.12 0.00 0.00 175.29 173.69 2roa n ASN 42 N 0.30 0.90 -4.72 5.90 4.13 -1.26 -3.05 115.26 117.45 2roa n ASN 42 Ca -0.15 -2.81 -0.33 0.00 1.68 0.00 0.00 54.58 52.96 2roa n ASN 42 Cb 0.60 -0.64 0.10 0.00 -1.54 0.00 0.00 39.78 38.30 2roa n ASN 42 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 2roa s PRO 43 N -1.25 2.06 0.50 3.52 0.02 -1.26 -5.01 135.00 133.58 2roa s PRO 43 Ca 0.35 1.62 -0.12 0.00 0.02 0.00 0.00 61.00 62.87 2roa s PRO 43 Cb 0.14 -1.84 -0.06 0.00 0.02 0.00 0.00 34.50 32.76 2roa s PRO 43 CO -0.11 -1.87 0.90 0.95 -0.33 0.00 0.00 177.00 176.55 2roa s THR 44 N -2.23 4.71 0.34 0.99 -4.23 -1.26 -4.81 115.64 109.15 2roa s THR 44 Ca 0.71 0.81 0.10 0.00 -1.18 0.00 0.00 61.69 62.12 2roa s THR 44 Cb -0.26 -3.78 0.39 0.00 1.34 0.00 0.00 72.50 70.19 2roa s THR 44 CO 0.48 -0.78 1.57 -0.33 -0.54 0.00 0.00 174.62 175.02 2roa h GLU 45 N 0.60 0.00 -0.35 3.99 5.08 -1.98 0.60 114.58 122.52 2roa h GLU 45 Ca -0.46 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 57.97 2roa h GLU 45 Cb 1.19 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.36 2roa h GLU 45 CO 0.62 0.00 -0.22 0.93 -1.00 0.00 0.00 179.01 179.34 2roa h GLU 46 N 0.00 -0.17 -0.60 2.33 5.08 -1.99 1.07 114.58 120.31 2roa h GLU 46 Ca 0.71 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 59.06 2roa h GLU 46 Cb 1.67 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.93 2roa h GLU 46 CO -0.87 -0.11 0.28 0.93 -1.00 0.00 0.00 179.01 178.24 2roa h GLU 47 N -0.17 0.88 -0.68 2.33 5.08 -0.19 -0.51 114.58 121.32 2roa h GLU 47 Ca 0.17 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2roa h GLU 47 Cb 0.44 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2roa h GLU 47 CO -0.45 0.71 0.34 -0.07 -1.00 0.00 0.00 179.01 178.55 2roa h LEU 48 N 0.83 0.87 -0.02 1.33 4.07 -0.19 0.17 115.31 122.37 2roa h LEU 48 Ca 0.21 -0.12 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 2roa h LEU 48 Cb 0.13 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 41.65 2roa h LEU 48 CO -0.02 0.74 0.01 -0.61 -1.08 0.00 0.00 178.44 177.48 2roa h GLN 49 N 0.93 0.03 -0.51 1.13 4.15 0.16 0.78 115.11 121.77 2roa h GLN 49 Ca 0.23 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.65 2roa h GLN 49 Cb 0.09 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 2roa h GLN 49 CO -0.03 0.10 0.31 0.22 -1.93 0.00 0.00 178.83 177.49 2roa h ASP 50 N -0.05 0.61 -0.08 -0.69 3.58 -0.85 1.34 116.42 120.28 2roa h ASP 50 Ca 0.01 -0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.34 2roa h ASP 50 Cb 0.08 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2roa h ASP 50 CO -0.00 0.47 -0.30 0.24 -2.88 0.00 0.00 179.24 176.76 2roa h MET 51 N 0.70 0.34 -0.39 0.28 2.86 -0.49 0.18 114.93 118.42 2roa h MET 51 Ca 0.19 -0.26 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 2roa h MET 51 Cb -0.03 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 2roa h MET 51 CO -0.04 0.90 0.08 0.82 1.06 0.00 0.00 176.91 179.74 2roa h ILE 52 N -0.14 1.23 -0.37 -1.22 2.04 0.11 -2.33 117.51 116.84 2roa h ILE 52 Ca -0.02 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 2roa h ILE 52 Cb 0.94 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 2roa h ILE 52 CO 0.06 0.28 0.17 -1.28 0.00 0.00 0.00 178.15 177.38 2roa h SER 53 N 0.48 0.48 -0.35 1.72 0.87 0.17 2.76 113.55 119.69 2roa h SER 53 Ca 0.12 -0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.61 2roa h SER 53 Cb 0.33 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 2roa h SER 53 CO 0.00 0.48 0.24 -0.08 -0.53 0.00 0.00 176.83 176.94 2roa h GLU 54 N 0.45 0.20 0.00 2.24 4.81 -0.80 -2.98 114.58 118.50 2roa h GLU 54 Ca 0.13 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.23 2roa h GLU 54 Cb 0.13 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2roa h GLU 54 CO -0.02 0.13 -1.79 1.33 -0.73 0.00 0.00 179.01 177.94 2roa n VAL 55 N -4.47 0.42 -2.61 0.32 0.24 -0.89 -4.84 118.33 106.49 2roa n VAL 55 Ca 0.04 -0.44 -0.41 0.00 -2.04 0.00 0.00 64.34 61.49 2roa n VAL 55 Cb 0.28 -0.20 -0.03 0.00 -1.47 0.00 0.00 33.84 32.42 2roa n VAL 55 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2roa s ASP 56 N -4.13 6.31 0.44 -1.34 -1.08 0.92 -4.81 116.67 112.97 2roa s ASP 56 Ca -0.06 -0.96 0.17 0.00 -0.52 0.00 0.00 52.55 51.19 2roa s ASP 56 Cb 0.07 -2.54 1.00 0.00 -1.46 0.00 0.00 42.92 39.99 2roa s ASP 56 CO 0.58 -1.63 1.94 0.00 0.52 0.00 0.00 175.17 176.58 2roa h ALA 57 N 9.82 1.44 0.00 3.66 0.00 -1.84 -2.88 119.26 129.45 2roa h ALA 57 Ca -0.09 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 2roa h ALA 57 Cb 1.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2roa h ALA 57 CO 1.31 0.31 -1.72 -0.40 0.00 0.00 0.00 179.25 178.75 2roa n ASP 58 N -4.02 0.44 -1.89 0.00 5.68 -1.26 -5.00 116.55 110.50 2roa n ASP 58 Ca -0.02 0.19 -0.13 0.00 -0.50 0.00 0.00 54.79 54.33 2roa n ASP 58 Cb 0.32 0.89 0.02 0.00 -1.14 0.00 0.00 41.12 41.21 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 1.40 -0.02 0.26 6.12 0.00 -1.09 -4.89 105.19 106.96 2roa n GLY 59 Ca -0.11 -0.24 0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.85 0.00 0.00 1.61 4.21 -1.94 -3.46 115.58 115.15 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 1.22 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 2roa h ASN 60 CO 0.34 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 177.09 2roa n GLY 61 N -0.27 0.90 3.56 2.83 0.00 -1.26 -5.05 105.19 105.90 2roa n GLY 61 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2roa n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2roa n THR 62 N -1.73 0.00 -5.00 2.61 -2.24 -1.26 -3.97 114.28 102.69 2roa n THR 62 Ca 0.00 -2.44 -0.29 0.00 -2.27 0.00 0.00 64.05 59.05 2roa n THR 62 Cb 0.00 0.69 -0.17 0.00 -2.10 0.00 0.00 70.33 68.75 2roa n THR 62 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2roa s ILE 63 N -3.00 1.73 0.55 2.28 1.01 -0.39 -4.92 121.20 118.46 2roa s ILE 63 Ca 0.11 -0.83 0.09 0.00 0.00 0.00 0.00 60.65 60.02 2roa s ILE 63 Cb 0.01 -1.51 0.07 0.00 0.01 0.00 0.00 42.46 41.04 2roa s ILE 63 CO 0.08 0.49 0.72 -1.61 0.00 0.00 0.00 174.94 174.62 2roa s GLU 64 N 0.38 2.35 0.11 2.79 2.02 -1.26 -1.88 118.70 123.21 2roa s GLU 64 Ca -0.15 -1.65 -0.23 0.00 0.02 0.00 0.00 54.97 52.96 2roa s GLU 64 Cb -0.17 -2.59 -0.09 0.00 0.10 0.00 0.00 34.13 31.39 2roa s GLU 64 CO 0.07 -0.77 1.71 0.35 0.02 0.00 0.00 175.26 176.63 2roa h PHE 65 N 0.30 -0.18 -0.66 1.61 3.57 -1.98 0.97 116.94 120.56 2roa h PHE 65 Ca -0.32 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.22 2roa h PHE 65 Cb 1.29 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 40.07 2roa h PHE 65 CO 0.50 -0.11 0.42 0.38 -2.23 0.00 0.00 178.31 177.26 2roa h ASP 66 N -0.11 0.69 -0.60 0.41 2.03 -1.97 0.47 116.42 117.34 2roa h ASP 66 Ca 0.04 -0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.26 2roa h ASP 66 Cb 0.16 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 38.49 2roa h ASP 66 CO -0.10 0.48 0.04 -0.33 -1.03 0.00 0.00 179.24 178.30 2roa h GLU 67 N 0.82 1.03 -0.63 4.15 5.08 -1.80 -2.09 114.58 121.13 2roa h GLU 67 Ca 0.26 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2roa h GLU 67 Cb 0.00 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2roa h GLU 67 CO -0.10 0.99 0.28 0.35 -1.00 0.00 0.00 179.01 179.53 2roa h PHE 68 N 0.92 0.94 -0.93 4.33 3.57 0.19 -1.79 116.94 124.18 2roa h PHE 68 Ca 0.18 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.63 2roa h PHE 68 Cb 0.50 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 2roa h PHE 68 CO 0.04 0.73 0.61 1.25 -2.23 0.00 0.00 178.31 178.71 2roa h LEU 69 N 0.88 1.04 -0.56 0.59 5.85 0.18 -1.37 115.31 121.93 2roa h LEU 69 Ca 0.21 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 2roa h LEU 69 Cb 0.17 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2roa h LEU 69 CO -0.02 0.74 0.20 0.28 -0.34 0.00 0.00 178.44 179.30 2roa h SER 70 N 1.22 0.79 -0.77 1.25 0.02 -0.88 -1.52 113.55 113.66 2roa h SER 70 Ca 0.35 -0.19 0.04 0.00 -0.84 0.00 0.00 61.79 61.15 2roa h SER 70 Cb -0.09 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.20 2roa h SER 70 CO -0.09 0.76 0.49 -0.07 -1.14 0.00 0.00 176.83 176.78 2roa h LEU 71 N 0.77 0.79 0.47 5.07 3.38 -0.43 2.20 115.31 127.56 2roa h LEU 71 Ca 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2roa h LEU 71 Cb 0.24 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2roa h LEU 71 CO -0.01 0.54 -0.22 0.24 0.09 0.00 0.00 178.44 179.07 2roa h MET 72 N 0.94 -0.61 -0.36 1.13 2.86 -1.11 -1.39 114.93 116.39 2roa h MET 72 Ca 0.32 0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.96 2roa h MET 72 Cb 0.05 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2roa h MET 72 CO -0.13 -0.30 0.05 0.00 1.06 0.00 0.00 176.91 177.59 2roa h ALA 73 N -0.56 1.41 -0.14 6.32 0.00 -1.06 0.89 119.26 126.12 2roa h ALA 73 Ca -0.06 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2roa h ALA 73 Cb 0.58 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2roa h ALA 73 CO 0.11 0.42 -0.13 -0.22 0.00 0.00 0.00 179.25 179.43 2roa h LYS 74 N 0.53 0.22 0.00 0.00 3.11 0.37 2.43 116.57 123.23 2roa h LYS 74 Ca 0.12 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.91 2roa h LYS 74 Cb 0.27 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.47 2roa h LYS 74 CO 0.00 0.36 -0.81 1.63 -2.81 0.00 0.00 179.45 177.82 2roa n LYS 75 N -4.28 0.20 -0.06 1.90 4.76 -0.53 -3.90 118.16 116.25 2roa n LYS 75 Ca -0.01 0.02 0.03 0.00 -2.87 0.00 0.00 58.31 55.48 2roa n LYS 75 Cb 0.26 -1.59 0.06 0.00 -1.84 0.00 0.00 35.03 31.93 2roa n LYS 75 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2roa n VAL 76 N -1.86 0.54 0.12 -0.18 0.31 0.24 -4.59 118.33 112.90 2roa n VAL 76 Ca 0.03 -0.77 0.07 0.00 -0.01 0.00 0.00 64.34 63.66 2roa n VAL 76 Cb 0.41 0.80 0.36 0.00 -0.91 0.00 0.00 33.84 34.49 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 0.26 0.09 0.35 5.55 4.81 0.81 -2.21 118.16 127.81 2roa n LYS 77 Ca 0.06 0.56 -0.18 0.00 -0.87 0.00 0.00 58.31 57.88 2roa n LYS 77 Cb 0.27 -1.89 -0.09 0.00 0.02 0.00 0.00 35.03 33.34 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 -0.98 0.00 3.14 1.82 -1.82 -3.51 116.42 115.08 2roa h ASP 78 Ca 0.00 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 2roa h ASP 78 Cb 0.22 0.29 0.00 0.00 0.68 0.00 0.00 39.33 40.52 2roa h ASP 78 CO 0.00 -0.60 0.00 0.41 -1.61 0.00 0.00 179.24 177.44