#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 0.00 0.00 0.00 -0.08 -1.26 -4.99 116.55 110.23 2roa n ASP 2 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2roa n ASP 2 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2roa n ASP 2 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2roa n ILE 3 N 0.00 0.00 -0.02 5.18 2.08 -1.26 -4.78 119.36 120.56 2roa n ILE 3 Ca 0.00 0.00 0.10 0.00 0.56 0.00 0.00 62.75 63.41 2roa n ILE 3 Cb 0.00 -0.36 0.51 0.00 -0.75 0.00 0.00 39.64 39.04 2roa n ILE 3 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 2roa h LEU 4 N 0.00 0.33 0.00 1.39 4.07 -2.10 -3.45 115.31 115.55 2roa h LEU 4 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2roa h LEU 4 Cb 0.00 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.67 2roa h LEU 4 CO 0.00 0.21 0.00 -1.54 -1.08 0.00 0.00 178.44 176.03 2roa n SER 5 N -4.47 0.00 -1.50 -0.43 3.41 -1.26 -4.38 113.62 104.99 2roa n SER 5 Ca 0.07 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.67 2roa n SER 5 Cb 0.29 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.25 2roa n SER 5 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2roa n GLU 6 N 0.00 -0.28 -0.11 4.33 2.13 -1.26 -5.03 120.64 120.41 2roa n GLU 6 Ca 0.00 0.07 -0.25 0.00 0.66 0.00 0.00 57.16 57.64 2roa n GLU 6 Cb 0.00 -2.13 -0.11 0.00 0.27 0.00 0.00 31.44 29.47 2roa n GLU 6 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2roa n GLU 7 N -1.52 0.60 -0.22 5.31 1.02 -1.26 -3.76 120.64 120.81 2roa n GLU 7 Ca -0.01 0.39 -0.06 0.00 -0.02 0.00 0.00 57.16 57.45 2roa n GLU 7 Cb 0.51 -1.62 0.04 0.00 -0.02 0.00 0.00 31.44 30.35 2roa n GLU 7 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 2roa h GLN 8 N -0.84 0.84 -0.81 3.49 3.07 -1.95 -2.09 115.11 116.82 2roa h GLN 8 Ca -0.53 -0.09 0.01 0.00 0.09 0.00 0.00 58.65 58.14 2roa h GLN 8 Cb 1.54 -0.17 -0.04 0.00 0.08 0.00 0.00 27.48 28.89 2roa h GLN 8 CO -0.27 0.62 0.54 0.82 0.09 0.00 0.00 178.83 180.63 2roa h ILE 9 N 0.83 1.20 -0.41 1.86 5.03 -1.98 0.81 117.51 124.84 2roa h ILE 9 Ca 0.22 -0.37 0.02 0.00 -0.12 0.00 0.00 64.86 64.61 2roa h ILE 9 Cb 0.01 0.01 -0.03 0.00 -3.03 0.00 0.00 36.82 33.78 2roa h ILE 9 CO -0.04 0.20 0.23 0.58 -0.68 0.00 0.00 178.15 178.44 2roa h VAL 10 N 1.09 1.01 0.41 1.67 2.07 -1.51 1.99 116.25 122.99 2roa h VAL 10 Ca 0.30 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 2roa h VAL 10 Cb -0.11 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2roa h VAL 10 CO -0.07 0.08 -0.20 -0.78 0.02 0.00 0.00 177.57 176.62 2roa h ASP 11 N 0.46 -0.47 -0.25 0.57 1.82 -0.76 0.26 116.42 118.04 2roa h ASP 11 Ca 0.17 -0.07 0.01 0.00 -0.39 0.00 0.00 57.03 56.75 2roa h ASP 11 Cb 0.04 0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.15 2roa h ASP 11 CO -0.10 -0.21 0.13 -0.26 -1.61 0.00 0.00 179.24 177.20 2roa h PHE 12 N -0.72 0.25 -0.41 0.28 0.04 -0.63 -0.70 116.94 115.05 2roa h PHE 12 Ca -0.06 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.74 2roa h PHE 12 Cb 0.51 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 2roa h PHE 12 CO -0.01 0.14 0.28 -0.22 -0.60 0.00 0.00 178.31 177.90 2roa h LYS 13 N 0.28 0.48 -0.42 1.51 1.63 0.32 -0.18 116.57 120.20 2roa h LYS 13 Ca 0.10 -0.03 -0.11 0.00 -0.85 0.00 0.00 60.65 59.76 2roa h LYS 13 Cb 0.02 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.52 2roa h LYS 13 CO -0.06 0.32 -0.16 1.49 -3.45 0.00 0.00 179.45 177.59 2roa h GLU 14 N 0.50 0.85 -0.26 1.90 4.81 0.60 0.13 114.58 123.11 2roa h GLU 14 Ca 0.16 -0.35 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 2roa h GLU 14 Cb 0.04 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2roa h GLU 14 CO -0.04 0.99 0.10 0.00 -0.73 0.00 0.00 179.01 179.33 2roa h ALA 15 N 0.84 0.33 -0.04 2.92 0.00 -0.13 -0.53 119.26 122.65 2roa h ALA 15 Ca 0.10 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2roa h ALA 15 Cb 0.71 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2roa h ALA 15 CO 0.05 -0.06 0.02 0.35 0.00 0.00 0.00 179.25 179.61 2roa h PHE 16 N 0.26 0.06 -0.63 0.00 3.57 -0.98 -0.38 116.94 118.85 2roa h PHE 16 Ca 0.08 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.65 2roa h PHE 16 Cb 0.20 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 2roa h PHE 16 CO -0.00 0.22 0.30 0.78 -2.23 0.00 0.00 178.31 177.37 2roa h GLY 17 N -0.11 0.91 1.07 2.40 0.00 -0.65 0.26 103.07 106.95 2roa h GLY 17 Ca 0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 2roa h GLY 17 CO -0.00 0.07 0.35 -2.00 0.00 0.00 0.00 176.54 174.96 2roa h LEU 18 N 0.54 1.08 -0.65 3.11 5.85 -0.92 -2.59 115.31 121.73 2roa h LEU 18 Ca 0.30 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 2roa h LEU 18 Cb 0.28 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2roa h LEU 18 CO -0.23 0.94 0.17 -0.26 -0.34 0.00 0.00 178.44 178.72 2roa h PHE 19 N 1.16 1.09 -0.23 1.25 -1.00 0.60 -2.99 116.94 116.81 2roa h PHE 19 Ca 0.27 -0.12 -0.42 0.00 2.81 0.00 0.00 57.97 60.51 2roa h PHE 19 Cb 0.17 -0.31 -0.06 0.00 3.61 0.00 0.00 35.95 39.37 2roa h PHE 19 CO 0.02 0.90 1.23 -3.47 -1.61 0.00 0.00 178.31 175.37 2roa n ASP 20 N -4.31 6.70 0.01 2.17 2.03 0.74 -4.69 116.55 119.19 2roa n ASP 20 Ca 0.04 -2.65 0.15 0.00 0.52 0.00 0.00 54.79 52.85 2roa n ASP 20 Cb 0.24 -1.43 0.24 0.00 -0.72 0.00 0.00 41.12 39.44 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 2.56 0.02 0.05 -0.67 5.02 -1.13 0.29 118.16 124.29 2roa n LYS 21 Ca 0.56 0.92 0.02 0.00 -2.02 0.00 0.00 58.31 57.79 2roa n LYS 21 Cb 0.61 -2.38 -0.06 0.00 -0.02 0.00 0.00 35.03 33.18 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 -0.15 4.39 2.03 -1.88 -3.48 116.42 117.33 2roa h ASP 22 Ca 0.27 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.50 2roa h ASP 22 Cb 2.38 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 40.85 2roa h ASP 22 CO -0.00 0.50 -0.06 0.61 -1.03 0.00 0.00 179.24 179.26 2roa n GLY 23 N 1.35 0.63 0.02 7.15 0.00 0.85 -4.89 105.19 110.30 2roa n GLY 23 Ca -0.07 -0.76 0.06 0.00 0.00 0.00 0.00 46.02 45.24 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 1.15 0.10 0.00 1.61 5.75 -1.26 -4.82 116.55 119.07 2roa n ASP 24 Ca -0.03 0.53 0.00 0.00 -0.01 0.00 0.00 54.79 55.28 2roa n ASP 24 Cb 0.12 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 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 -0.47 2.42 2.95 6.12 0.00 -1.26 -5.01 105.19 109.94 2roa n GLY 25 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 0.53 5.07 0.72 0.00 1.01 -0.71 -4.91 121.20 122.91 2roa s ILE 27 Ca -0.08 0.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.54 2roa s ILE 27 Cb -0.11 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 38.44 2roa s ILE 27 CO 0.01 -0.24 1.09 -0.89 0.00 0.00 0.00 174.94 174.91 2roa s THR 28 N 2.23 3.48 0.43 2.92 2.01 -1.26 -1.07 115.64 124.38 2roa s THR 28 Ca 0.15 0.48 0.15 0.00 0.31 0.00 0.00 61.69 62.78 2roa s THR 28 Cb -0.16 -3.40 0.34 0.00 0.01 0.00 0.00 72.50 69.29 2roa s THR 28 CO 0.13 -0.63 1.95 1.62 -0.69 0.00 0.00 174.62 177.00 2roa h VAL 29 N -0.74 0.84 -0.30 3.82 3.04 -1.95 0.15 116.25 121.11 2roa h VAL 29 Ca -0.45 -0.14 -0.11 0.00 -1.01 0.00 0.00 66.70 64.98 2roa h VAL 29 Cb 1.25 0.40 -0.01 0.00 -2.01 0.00 0.00 31.29 30.92 2roa h VAL 29 CO 0.62 0.07 -0.26 -0.08 -1.01 0.00 0.00 177.57 176.92 2roa h GLU 30 N 0.41 0.71 -0.57 4.17 4.22 -1.91 -0.69 114.58 120.92 2roa h GLU 30 Ca 0.32 -0.36 -0.07 0.00 0.08 0.00 0.00 59.36 59.33 2roa h GLU 30 Cb 0.70 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2roa h GLU 30 CO -0.10 0.97 0.06 0.93 -2.18 0.00 0.00 179.01 178.69 2roa h GLU 31 N 0.46 0.93 -0.44 1.92 5.08 -1.46 -1.58 114.58 119.48 2roa h GLU 31 Ca 0.05 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 2roa h GLU 31 Cb 0.82 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 2roa h GLU 31 CO 0.07 0.88 0.09 1.25 -1.00 0.00 0.00 179.01 180.30 2roa h LEU 32 N 0.87 0.69 -0.75 1.33 5.85 -0.66 -1.99 115.31 120.65 2roa h LEU 32 Ca 0.17 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.73 2roa h LEU 32 Cb 0.43 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 2roa h LEU 32 CO 0.01 0.76 0.40 0.00 -0.34 0.00 0.00 178.44 179.28 2roa h ALA 33 N 0.95 1.04 -0.65 1.25 0.00 -0.63 0.30 119.26 121.53 2roa h ALA 33 Ca 0.14 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2roa h ALA 33 Cb 0.36 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2roa h ALA 33 CO 0.01 0.03 0.40 1.15 0.00 0.00 0.00 179.25 180.83 2roa h THR 34 N 0.69 1.18 -0.27 0.00 2.02 -0.93 0.20 112.91 115.80 2roa h THR 34 Ca 0.36 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2roa h THR 34 Cb 0.33 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2roa h THR 34 CO -0.24 0.19 0.08 0.58 0.37 0.00 0.00 175.52 176.49 2roa h VAL 35 N 0.88 1.20 -0.61 3.16 2.07 -0.34 -1.75 116.25 120.85 2roa h VAL 35 Ca 0.23 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 67.10 2roa h VAL 35 Cb -0.04 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2roa h VAL 35 CO -0.05 0.22 0.40 0.40 0.02 0.00 0.00 177.57 178.56 2roa h ILE 36 N 0.27 1.16 -0.87 4.57 2.04 -0.10 -0.78 117.51 123.79 2roa h ILE 36 Ca 0.09 -0.30 0.08 0.00 1.00 0.00 0.00 64.86 65.73 2roa h ILE 36 Cb 0.25 0.26 -0.07 0.00 -0.74 0.00 0.00 36.82 36.53 2roa h ILE 36 CO -0.00 0.16 0.53 0.03 0.00 0.00 0.00 178.15 178.86 2roa h ARG 37 N 0.83 0.90 -0.46 2.37 3.08 -0.41 -0.76 114.38 119.94 2roa h ARG 37 Ca 0.22 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 2roa h ARG 37 Cb -0.09 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.74 2roa h ARG 37 CO -0.05 0.59 -0.09 1.03 -1.07 0.00 0.00 179.97 180.39 2roa h SER 38 N 0.92 0.80 -0.53 7.04 0.87 -0.59 -3.17 113.55 118.89 2roa h SER 38 Ca 0.40 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 2roa h SER 38 Cb 0.28 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 2roa h SER 38 CO -0.21 0.91 0.29 -0.07 -0.53 0.00 0.00 176.83 177.22 2roa h LEU 39 N 0.74 0.67 0.00 2.23 3.38 0.29 -3.46 115.31 119.16 2roa h LEU 39 Ca 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2roa h LEU 39 Cb 0.57 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2roa h LEU 39 CO 0.04 0.58 0.00 -0.67 0.09 0.00 0.00 178.44 178.47 2roa n ASP 40 N -4.62 0.00 -4.37 -0.43 2.03 -0.95 -5.11 116.55 103.10 2roa n ASP 40 Ca 0.03 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.15 2roa n ASP 40 Cb 0.09 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.39 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 1.41 -0.46 -0.67 -0.21 -1.06 -5.05 119.66 113.62 2roa s GLN 41 Ca 0.00 -1.71 0.07 0.00 0.02 0.00 0.00 55.36 53.74 2roa s GLN 41 Cb 0.00 -0.86 0.24 0.00 1.00 0.00 0.00 33.01 33.39 2roa s GLN 41 CO 0.00 -0.02 0.77 0.09 -2.12 0.00 0.00 175.29 174.01 2roa n ASN 42 N -0.47 -2.05 -4.75 5.90 3.02 -1.26 -3.00 115.26 112.63 2roa n ASN 42 Ca -0.06 -3.10 -0.33 0.00 -0.03 0.00 0.00 54.58 51.06 2roa n ASN 42 Cb 0.63 1.11 0.06 0.00 -0.61 0.00 0.00 39.78 40.98 2roa n ASN 42 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2roa s PRO 43 N 0.19 2.59 0.70 3.52 0.02 -1.26 -5.03 135.00 135.73 2roa s PRO 43 Ca 0.33 1.51 -0.11 0.00 0.02 0.00 0.00 61.00 62.74 2roa s PRO 43 Cb 0.20 -1.91 0.02 0.00 0.02 0.00 0.00 34.50 32.82 2roa s PRO 43 CO -0.20 -1.43 1.09 0.99 -0.33 0.00 0.00 177.00 177.12 2roa s THR 44 N -2.22 3.45 0.26 0.99 2.01 -1.26 -4.72 115.64 114.16 2roa s THR 44 Ca 0.69 0.44 -0.08 0.00 0.31 0.00 0.00 61.69 63.06 2roa s THR 44 Cb -0.23 -3.46 0.38 0.00 0.01 0.00 0.00 72.50 69.20 2roa s THR 44 CO 0.42 -0.60 1.58 -0.08 -0.69 0.00 0.00 174.62 175.25 2roa h GLU 45 N -0.64 0.01 -0.32 4.92 4.81 -1.98 0.14 114.58 121.52 2roa h GLU 45 Ca -0.45 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 58.83 2roa h GLU 45 Cb 1.26 -0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.55 2roa h GLU 45 CO 0.64 0.01 -0.48 0.93 -0.73 0.00 0.00 179.01 179.38 2roa h GLU 46 N 0.01 -0.40 -0.84 1.92 4.39 -1.98 1.19 114.58 118.87 2roa h GLU 46 Ca 0.45 0.03 0.02 0.00 0.34 0.00 0.00 59.36 60.19 2roa h GLU 46 Cb 0.73 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.43 2roa h GLU 46 CO -0.89 -0.26 0.55 0.93 -1.16 0.00 0.00 179.01 178.18 2roa h GLU 47 N -0.41 1.09 -0.65 2.33 4.39 -1.19 0.35 114.58 120.49 2roa h GLU 47 Ca 0.10 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2roa h GLU 47 Cb 0.61 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 2roa h GLU 47 CO -0.53 0.72 0.37 -0.07 -1.16 0.00 0.00 179.01 178.33 2roa h LEU 48 N 1.12 0.80 0.22 1.33 3.38 0.93 0.58 115.31 123.66 2roa h LEU 48 Ca 0.32 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2roa h LEU 48 Cb -0.09 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.46 2roa h LEU 48 CO -0.08 0.65 -0.10 -0.61 0.09 0.00 0.00 178.44 178.39 2roa h GLN 49 N 0.88 -0.28 -0.79 1.13 4.15 0.21 0.49 115.11 120.91 2roa h GLN 49 Ca 0.23 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.68 2roa h GLN 49 Cb 0.02 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.73 2roa h GLN 49 CO -0.04 0.06 0.52 0.22 -1.93 0.00 0.00 178.83 177.66 2roa h ASP 50 N -0.66 0.89 -0.03 -0.69 1.82 -0.21 2.27 116.42 119.80 2roa h ASP 50 Ca -0.03 -0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.57 2roa h ASP 50 Cb 0.47 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.26 2roa h ASP 50 CO 0.05 0.63 -0.06 0.24 -1.61 0.00 0.00 179.24 178.49 2roa h MET 51 N 1.04 0.10 -0.34 0.28 2.86 0.21 0.54 114.93 119.62 2roa h MET 51 Ca 0.30 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.84 2roa h MET 51 Cb -0.08 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 2roa h MET 51 CO -0.07 0.64 0.07 0.82 1.06 0.00 0.00 176.91 179.43 2roa h ILE 52 N -0.43 1.23 -0.35 -1.22 2.04 0.43 -2.90 117.51 116.31 2roa h ILE 52 Ca 0.00 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.10 2roa h ILE 52 Cb 0.64 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 2roa h ILE 52 CO 0.01 0.26 0.19 0.28 0.00 0.00 0.00 178.15 178.90 2roa h SER 53 N 0.39 0.29 -1.12 1.72 0.02 0.38 2.47 113.55 117.69 2roa h SER 53 Ca 0.10 0.01 0.33 0.00 -0.84 0.00 0.00 61.79 61.39 2roa h SER 53 Cb 0.32 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 2roa h SER 53 CO 0.00 0.21 0.96 -0.08 -1.14 0.00 0.00 176.83 176.78 2roa h GLU 54 N 0.39 0.00 0.00 3.45 4.81 -0.67 -1.76 114.58 120.79 2roa h GLU 54 Ca 0.15 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2roa h GLU 54 Cb 0.04 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2roa h GLU 54 CO -0.09 0.00 -1.25 1.55 -0.73 0.00 0.00 179.01 178.49 2roa n VAL 55 N -3.80 0.20 -1.56 0.32 3.14 -0.37 -4.89 118.33 111.37 2roa n VAL 55 Ca 0.24 -0.15 -0.13 0.00 -2.96 0.00 0.00 64.34 61.34 2roa n VAL 55 Cb 1.32 -0.57 -0.10 0.00 -1.06 0.00 0.00 33.84 33.43 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 -2.02 1.43 -0.06 6.55 -0.08 0.82 -4.65 116.55 118.53 2roa n ASP 56 Ca -0.05 -2.04 0.02 0.00 -1.51 0.00 0.00 54.79 51.21 2roa n ASP 56 Cb 0.50 -1.67 0.35 0.00 2.34 0.00 0.00 41.12 42.63 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 12.05 1.58 0.00 -1.67 0.00 -1.86 -2.01 119.26 127.35 2roa h ALA 57 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2roa h ALA 57 Cb 1.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2roa h ALA 57 CO 1.01 0.36 -0.63 -0.44 0.00 0.00 0.00 179.25 179.55 2roa h ASP 58 N 0.68 0.00 -2.14 0.00 3.32 -1.93 -3.47 116.42 112.88 2roa h ASP 58 Ca 0.18 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.85 2roa h ASP 58 Cb -0.01 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.48 2roa h ASP 58 CO -0.03 0.37 -0.44 0.61 -1.72 0.00 0.00 179.24 178.02 2roa n GLY 59 N 1.23 0.27 0.13 2.75 0.00 -0.76 -4.87 105.19 103.94 2roa n GLY 59 Ca -0.00 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.47 115.58 110.73 2roa h ASN 60 Ca -0.43 -0.03 0.00 0.00 0.07 0.00 0.00 56.30 55.91 2roa h ASN 60 Cb 1.30 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.55 2roa h ASN 60 CO 0.54 0.01 0.00 0.61 0.07 0.00 0.00 177.43 178.66 2roa n GLY 61 N 1.25 0.91 3.29 9.14 0.00 -1.26 -5.08 105.19 113.43 2roa n GLY 61 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 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 0.66 -0.09 2.61 -4.23 -1.26 -3.45 115.64 107.88 2roa s THR 62 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.55 2roa s THR 62 Cb 0.00 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.46 2roa s THR 62 CO 0.00 -0.24 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.01 2roa s ILE 63 N -3.68 1.77 0.45 2.99 1.01 -0.23 -4.87 121.20 118.63 2roa s ILE 63 Ca 0.31 -0.85 0.08 0.00 0.00 0.00 0.00 60.65 60.19 2roa s ILE 63 Cb 0.07 -1.55 0.01 0.00 0.01 0.00 0.00 42.46 41.00 2roa s ILE 63 CO 0.09 0.50 0.53 -1.61 0.00 0.00 0.00 174.94 174.44 2roa s GLU 64 N 0.46 2.63 0.15 2.79 0.41 -1.26 -1.75 118.70 122.13 2roa s GLU 64 Ca -0.17 -1.44 -0.19 0.00 -0.41 0.00 0.00 54.97 52.76 2roa s GLU 64 Cb -0.17 -2.58 0.04 0.00 -1.78 0.00 0.00 34.13 29.64 2roa s GLU 64 CO 0.07 -0.34 1.68 0.35 -0.49 0.00 0.00 175.26 176.52 2roa h PHE 65 N 0.72 -0.21 -0.66 1.61 3.57 -1.98 1.35 116.94 121.33 2roa h PHE 65 Ca -0.39 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.19 2roa h PHE 65 Cb 1.28 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 40.11 2roa h PHE 65 CO 0.48 -0.15 0.38 0.22 -2.23 0.00 0.00 178.31 177.00 2roa h ASP 66 N -0.03 0.59 -0.32 0.41 1.82 -1.98 0.91 116.42 117.83 2roa h ASP 66 Ca 0.15 0.02 -0.07 0.00 -0.39 0.00 0.00 57.03 56.74 2roa h ASP 66 Cb 0.25 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.15 2roa h ASP 66 CO -0.33 0.40 -0.08 -0.33 -1.61 0.00 0.00 179.24 177.29 2roa h GLU 67 N 0.73 0.62 -0.48 0.28 5.08 -1.64 -0.67 114.58 118.49 2roa h GLU 67 Ca 0.28 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2roa h GLU 67 Cb 0.12 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2roa h GLU 67 CO -0.15 0.80 0.24 0.35 -1.00 0.00 0.00 179.01 179.24 2roa h PHE 68 N 0.39 0.69 -0.66 4.33 3.57 0.25 0.16 116.94 125.66 2roa h PHE 68 Ca 0.08 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 2roa h PHE 68 Cb 0.57 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 2roa h PHE 68 CO 0.05 0.54 0.33 1.25 -2.23 0.00 0.00 178.31 178.25 2roa h LEU 69 N 0.63 0.85 -0.38 0.59 5.85 0.93 -1.65 115.31 122.13 2roa h LEU 69 Ca 0.17 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2roa h LEU 69 Cb 0.11 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2roa h LEU 69 CO -0.02 0.73 0.08 0.28 -0.34 0.00 0.00 178.44 179.18 2roa h SER 70 N 0.91 0.59 -0.58 1.25 0.02 -0.77 0.14 113.55 115.12 2roa h SER 70 Ca 0.23 -0.24 0.04 0.00 -0.84 0.00 0.00 61.79 60.98 2roa h SER 70 Cb 0.10 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 2roa h SER 70 CO -0.03 0.68 0.33 0.25 -1.14 0.00 0.00 176.83 176.92 2roa h LEU 71 N 0.48 0.51 0.04 5.07 6.46 -0.35 2.41 115.31 129.92 2roa h LEU 71 Ca 0.12 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.89 2roa h LEU 71 Cb 0.32 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.17 2roa h LEU 71 CO 0.00 0.35 -0.02 0.24 -0.62 0.00 0.00 178.44 178.39 2roa h MET 72 N 0.63 -0.05 -0.15 1.25 2.86 -1.19 -2.36 114.93 115.93 2roa h MET 72 Ca 0.24 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.84 2roa h MET 72 Cb 0.09 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2roa h MET 72 CO -0.13 0.47 -0.11 0.00 1.06 0.00 0.00 176.91 178.20 2roa h ALA 73 N 0.33 1.54 -0.23 6.32 0.00 -0.50 0.08 119.26 126.80 2roa h ALA 73 Ca -0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2roa h ALA 73 Cb 0.54 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2roa h ALA 73 CO 0.01 0.33 -0.20 -0.22 0.00 0.00 0.00 179.25 179.17 2roa h LYS 74 N 0.22 0.41 0.21 0.00 3.64 0.42 1.12 116.57 122.58 2roa h LYS 74 Ca 0.05 -0.13 -0.33 0.00 -1.27 0.00 0.00 60.65 58.96 2roa h LYS 74 Cb 0.34 -0.04 0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2roa h LYS 74 CO 0.02 0.59 -1.53 -0.22 -2.27 0.00 0.00 179.45 176.04 2roa h LYS 75 N 0.37 0.44 -0.01 1.90 1.63 -0.83 -3.26 116.57 116.81 2roa h LYS 75 Ca 0.06 -0.75 0.00 0.00 -0.85 0.00 0.00 60.65 59.11 2roa h LYS 75 Cb 0.56 0.28 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 2roa h LYS 75 CO 0.04 1.35 -0.04 0.28 -3.45 0.00 0.00 179.45 177.63 2roa n VAL 76 N -3.63 0.00 0.12 2.00 0.31 -0.05 -4.02 118.33 113.07 2roa n VAL 76 Ca -0.18 -0.12 0.04 0.00 -0.01 0.00 0.00 64.34 64.07 2roa n VAL 76 Cb 1.08 0.04 0.21 0.00 -0.91 0.00 0.00 33.84 34.27 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 -0.49 0.06 0.51 5.55 4.81 0.39 -1.45 118.16 127.53 2roa n LYS 77 Ca 0.19 0.47 -0.20 0.00 -0.87 0.00 0.00 58.31 57.90 2roa n LYS 77 Cb 0.26 -2.04 -0.09 0.00 0.02 0.00 0.00 35.03 33.17 2roa n LYS 77 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2roa h ASP 78 N 0.00 -1.10 -0.03 3.14 3.32 -1.83 -3.51 116.42 116.41 2roa h ASP 78 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2roa h ASP 78 Cb 0.73 0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.56 2roa h ASP 78 CO 0.00 -0.77 0.00 1.07 -1.72 0.00 0.00 179.24 177.82