#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 5.88 0.09 0.00 1.47 -1.26 -4.72 116.67 118.14 2roa s ASP 2 Ca 0.00 1.82 0.00 0.00 1.18 0.00 0.00 52.55 55.55 2roa s ASP 2 Cb 0.00 -2.54 0.00 0.00 -0.34 0.00 0.00 42.92 40.04 2roa s ASP 2 CO 0.00 -1.10 0.00 -0.38 0.68 0.00 0.00 175.17 174.37 2roa n ILE 3 N -1.88-12.41 0.26 2.11 2.08 -1.26 -4.80 119.36 103.46 2roa n ILE 3 Ca 0.09 3.03 0.15 0.00 0.56 0.00 0.00 62.75 66.58 2roa n ILE 3 Cb 0.53 -5.47 0.56 0.00 -0.75 0.00 0.00 39.64 34.51 2roa n ILE 3 CO 0.00 0.00 0.00 0.25 0.56 0.00 0.00 176.55 177.36 2roa h LEU 4 N 4.32 0.00 -1.93 1.39 6.46 -2.10 -3.47 115.31 119.99 2roa h LEU 4 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2roa h LEU 4 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2roa h LEU 4 CO 0.00 0.03 0.00 -1.20 -0.62 0.00 0.00 178.44 176.65 2roa n SER 5 N -3.12 -1.78 -1.72 1.25 7.64 -1.26 -4.93 113.62 109.69 2roa n SER 5 Ca 0.01 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.84 2roa n SER 5 Cb 0.37 -0.44 -0.07 0.00 -1.01 0.00 0.00 64.21 63.05 2roa n SER 5 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2roa n GLU 6 N -0.96 1.42 -0.07 1.43 4.71 -1.26 -4.24 120.64 121.66 2roa n GLU 6 Ca 0.00 -0.43 -0.07 0.00 -0.01 0.00 0.00 57.16 56.65 2roa n GLU 6 Cb 0.44 -1.43 -0.04 0.00 -1.01 0.00 0.00 31.44 29.40 2roa n GLU 6 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2roa h GLU 7 N 1.90 0.00 -0.37 3.49 5.08 -1.99 -3.15 114.58 119.54 2roa h GLU 7 Ca 0.08 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 2roa h GLU 7 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2roa h GLU 7 CO 0.10 0.23 -0.22 -0.56 -1.00 0.00 0.00 179.01 177.56 2roa h GLN 8 N -1.00 0.72 -0.45 2.33 3.07 -1.99 -1.96 115.11 115.83 2roa h GLN 8 Ca -0.05 -0.28 -0.02 0.00 0.09 0.00 0.00 58.65 58.39 2roa h GLN 8 Cb 0.51 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 28.02 2roa h GLN 8 CO -0.03 0.88 0.21 0.82 0.09 0.00 0.00 178.83 180.80 2roa h ILE 9 N 0.63 1.18 -0.30 1.86 1.08 -1.82 0.82 117.51 120.97 2roa h ILE 9 Ca 0.09 -0.53 -0.02 0.00 -0.39 0.00 0.00 64.86 64.01 2roa h ILE 9 Cb 0.71 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 2roa h ILE 9 CO 0.05 0.20 0.10 0.58 -0.69 0.00 0.00 178.15 178.39 2roa h VAL 10 N 0.58 1.20 -0.48 1.67 2.07 -1.48 0.20 116.25 120.00 2roa h VAL 10 Ca 0.15 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 2roa h VAL 10 Cb 0.13 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2roa h VAL 10 CO -0.02 0.21 0.05 -0.78 0.02 0.00 0.00 177.57 177.06 2roa h ASP 11 N 0.32 0.78 0.18 0.57 1.82 -1.11 -0.06 116.42 118.92 2roa h ASP 11 Ca 0.10 -0.28 -0.01 0.00 -0.39 0.00 0.00 57.03 56.45 2roa h ASP 11 Cb 0.24 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.04 2roa h ASP 11 CO -0.00 0.86 -0.08 -0.26 -1.61 0.00 0.00 179.24 178.14 2roa h PHE 12 N 0.67 -0.22 -0.20 0.28 -1.00 0.84 -1.23 116.94 116.08 2roa h PHE 12 Ca 0.14 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.91 2roa h PHE 12 Cb 0.43 0.07 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 2roa h PHE 12 CO 0.03 -0.05 0.08 -0.22 -1.61 0.00 0.00 178.31 176.55 2roa h LYS 13 N -0.35 0.27 -0.59 1.51 3.64 -0.55 -1.28 116.57 119.22 2roa h LYS 13 Ca -0.02 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 2roa h LYS 13 Cb 0.27 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2roa h LYS 13 CO 0.04 0.23 -0.02 1.49 -2.27 0.00 0.00 179.45 178.91 2roa h GLU 14 N 0.27 1.04 -0.32 1.90 4.81 -0.56 0.47 114.58 122.19 2roa h GLU 14 Ca 0.07 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 2roa h GLU 14 Cb 0.05 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2roa h GLU 14 CO -0.01 1.03 0.11 0.00 -0.73 0.00 0.00 179.01 179.42 2roa h ALA 15 N 1.01 0.42 -0.04 2.92 0.00 -0.12 -1.04 119.26 122.42 2roa h ALA 15 Ca 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2roa h ALA 15 Cb 0.58 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2roa h ALA 15 CO 0.03 0.04 0.02 0.35 0.00 0.00 0.00 179.25 179.69 2roa h PHE 16 N 0.37 0.05 -0.73 0.00 3.57 -1.14 -1.27 116.94 117.79 2roa h PHE 16 Ca 0.11 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.69 2roa h PHE 16 Cb 0.22 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.87 2roa h PHE 16 CO 0.00 0.17 0.39 0.78 -2.23 0.00 0.00 178.31 177.43 2roa h GLY 17 N -0.08 1.11 1.02 2.40 0.00 -0.82 0.20 103.07 106.91 2roa h GLY 17 Ca 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 2roa h GLY 17 CO -0.00 0.10 0.45 -2.00 0.00 0.00 0.00 176.54 175.09 2roa h LEU 18 N 0.68 1.06 -0.47 3.11 5.85 -0.96 -2.63 115.31 121.94 2roa h LEU 18 Ca 0.35 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 2roa h LEU 18 Cb 0.32 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2roa h LEU 18 CO -0.24 0.86 0.08 -0.26 -0.34 0.00 0.00 178.44 178.54 2roa h PHE 19 N 1.18 0.83 -0.16 1.25 -1.00 0.12 -2.97 116.94 116.20 2roa h PHE 19 Ca 0.30 -0.11 -0.26 0.00 2.81 0.00 0.00 57.97 60.70 2roa h PHE 19 Cb 0.05 -0.23 -0.08 0.00 3.61 0.00 0.00 35.95 39.30 2roa h PHE 19 CO 0.01 0.77 -0.09 -3.47 -1.61 0.00 0.00 178.31 173.92 2roa n ASP 20 N -4.44 5.57 0.18 2.17 2.03 0.55 -4.66 116.55 117.95 2roa n ASP 20 Ca 0.01 -2.59 0.01 0.00 0.52 0.00 0.00 54.79 52.73 2roa n ASP 20 Cb 0.25 -1.40 0.04 0.00 -0.72 0.00 0.00 41.12 39.29 2roa n ASP 20 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 2roa h LYS 21 N 3.09 0.00 0.00 -0.67 5.09 -1.57 1.91 116.57 124.42 2roa h LYS 21 Ca 0.25 0.00 -0.22 0.00 0.09 0.00 0.00 60.65 60.76 2roa h LYS 21 Cb 1.35 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.64 2roa h LYS 21 CO 0.39 0.00 -1.51 -0.44 -2.09 0.00 0.00 179.45 175.80 2roa h ASP 22 N 0.00 0.00 -0.02 7.07 3.32 -1.87 -3.48 116.42 121.44 2roa h ASP 22 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2roa h ASP 22 Cb 1.45 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.00 2roa h ASP 22 CO 0.00 0.79 -0.01 0.61 -1.72 0.00 0.00 179.24 178.91 2roa n GLY 23 N 1.46 0.47 0.18 2.75 0.00 0.65 -4.90 105.19 105.80 2roa n GLY 23 Ca -0.12 -0.45 0.14 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.94 -3.46 116.42 114.67 2roa h ASP 24 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 2roa h ASP 24 Cb 0.06 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.56 2roa h ASP 24 CO 0.01 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.83 2roa n GLY 25 N -0.09 1.62 2.97 7.15 0.00 -1.26 -5.04 105.19 110.54 2roa n GLY 25 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 0.16 5.28 0.71 0.00 1.01 -0.83 -4.93 121.20 122.60 2roa s ILE 27 Ca -0.02 -0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.46 2roa s ILE 27 Cb -0.07 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.79 2roa s ILE 27 CO -0.00 0.10 1.08 -0.89 0.00 0.00 0.00 174.94 175.22 2roa s THR 28 N 1.74 3.76 0.17 2.92 2.01 -1.26 -1.48 115.64 123.49 2roa s THR 28 Ca 0.06 0.57 -0.15 0.00 0.31 0.00 0.00 61.69 62.49 2roa s THR 28 Cb -0.17 -3.46 0.05 0.00 0.01 0.00 0.00 72.50 68.93 2roa s THR 28 CO 0.11 -0.75 1.76 0.58 -0.69 0.00 0.00 174.62 175.63 2roa h VAL 29 N -0.70 0.92 -0.78 3.82 2.07 -1.96 0.46 116.25 120.08 2roa h VAL 29 Ca -0.45 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 66.98 2roa h VAL 29 Cb 1.23 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 2roa h VAL 29 CO 0.61 0.07 0.49 -0.33 0.02 0.00 0.00 177.57 178.43 2roa h GLU 30 N 0.37 0.92 -0.33 1.57 3.07 -1.93 0.11 114.58 118.36 2roa h GLU 30 Ca 0.19 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.90 2roa h GLU 30 Cb 0.14 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 2roa h GLU 30 CO -0.16 0.61 -0.18 1.49 -1.40 0.00 0.00 179.01 179.37 2roa h GLU 31 N 0.95 0.62 -0.52 2.33 4.81 -1.67 -2.24 114.58 118.86 2roa h GLU 31 Ca 0.32 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 2roa h GLU 31 Cb 0.04 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2roa h GLU 31 CO -0.12 0.77 0.16 1.25 -0.73 0.00 0.00 179.01 180.34 2roa h LEU 32 N 0.55 0.75 -0.99 1.64 5.85 0.11 -2.01 115.31 121.21 2roa h LEU 32 Ca 0.09 -0.21 0.11 0.00 0.84 0.00 0.00 57.88 58.71 2roa h LEU 32 Cb 0.62 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 2roa h LEU 32 CO 0.04 0.76 0.62 0.00 -0.34 0.00 0.00 178.44 179.53 2roa h ALA 33 N 1.02 1.47 -0.62 1.25 0.00 -0.33 0.41 119.26 122.47 2roa h ALA 33 Ca 0.17 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2roa h ALA 33 Cb 0.27 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2roa h ALA 33 CO -0.01 0.26 0.34 1.15 0.00 0.00 0.00 179.25 180.99 2roa h THR 34 N 1.01 1.20 -0.10 0.00 2.02 -0.82 0.80 112.91 117.02 2roa h THR 34 Ca 0.48 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2roa h THR 34 Cb 0.43 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 2roa h THR 34 CO -0.25 0.21 0.01 0.58 0.37 0.00 0.00 175.52 176.45 2roa h VAL 35 N 0.84 1.22 -0.96 3.16 2.07 -0.19 -2.23 116.25 120.17 2roa h VAL 35 Ca 0.22 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2roa h VAL 35 Cb 0.04 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 2roa h VAL 35 CO -0.04 0.20 0.62 0.40 0.02 0.00 0.00 177.57 178.77 2roa h ILE 36 N -0.07 1.25 -0.87 4.57 2.04 -0.03 -1.66 117.51 122.75 2roa h ILE 36 Ca 0.03 -0.49 0.10 0.00 1.00 0.00 0.00 64.86 65.50 2roa h ILE 36 Cb 0.30 -0.14 -0.08 0.00 -0.74 0.00 0.00 36.82 36.16 2roa h ILE 36 CO 0.00 0.25 0.51 -0.09 0.00 0.00 0.00 178.15 178.82 2roa h ARG 37 N 1.31 0.81 -0.68 2.37 2.43 0.12 -0.82 114.38 119.92 2roa h ARG 37 Ca 0.35 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.40 2roa h ARG 37 Cb -0.12 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.22 2roa h ARG 37 CO -0.07 0.53 0.13 1.03 -1.51 0.00 0.00 179.97 180.08 2roa h SER 38 N 0.83 1.05 0.00 -3.80 0.87 -0.70 -2.74 113.55 109.06 2roa h SER 38 Ca 0.42 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2roa h SER 38 Cb 0.40 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2roa h SER 38 CO -0.26 1.02 0.00 0.18 -0.53 0.00 0.00 176.83 177.25 2roa n LEU 39 N -4.22 0.48 -0.86 2.23 4.77 -0.34 -4.70 117.00 114.35 2roa n LEU 39 Ca 0.05 -0.24 -0.11 0.00 -0.03 0.00 0.00 56.01 55.67 2roa n LEU 39 Cb 0.28 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 2roa n LEU 39 CO 0.43 0.11 -0.11 0.47 -1.33 0.00 0.00 177.39 176.96 2roa n ASP 40 N 0.33 -4.61 -4.05 -1.43 8.00 -1.03 -4.99 116.55 108.75 2roa n ASP 40 Ca 0.00 0.28 -0.14 0.00 0.71 0.00 0.00 54.79 55.64 2roa n ASP 40 Cb 0.11 -3.11 -0.12 0.00 -0.02 0.00 0.00 41.12 37.98 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 -2.85 0.55 -0.45 -1.24 1.11 -1.02 -5.05 119.66 110.70 2roa s GLN 41 Ca 0.00 -0.65 0.07 0.00 0.01 0.00 0.00 55.36 54.78 2roa s GLN 41 Cb 0.00 -0.39 0.23 0.00 -1.01 0.00 0.00 33.01 31.84 2roa s GLN 41 CO 0.00 0.08 0.68 -1.71 0.01 0.00 0.00 175.29 174.35 2roa n ASN 42 N 1.79 -1.67 -4.58 5.90 2.85 -1.26 -2.03 115.26 116.25 2roa n ASN 42 Ca -0.20 -2.94 -0.29 0.00 -0.11 0.00 0.00 54.58 51.04 2roa n ASN 42 Cb 0.55 0.72 0.21 0.00 1.24 0.00 0.00 39.78 42.50 2roa n ASN 42 CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 2roa s PRO 43 N 0.02 -0.15 0.43 1.20 0.02 -1.26 -5.00 135.00 130.26 2roa s PRO 43 Ca 0.33 0.89 -0.14 0.00 0.02 0.00 0.00 61.00 62.10 2roa s PRO 43 Cb 0.16 -1.64 -0.08 0.00 0.02 0.00 0.00 34.50 32.96 2roa s PRO 43 CO -0.17 -3.22 0.86 0.95 -0.33 0.00 0.00 177.00 175.09 2roa s THR 44 N -2.63 4.64 0.30 0.99 -4.23 -1.26 -4.84 115.64 108.60 2roa s THR 44 Ca 0.67 0.98 0.06 0.00 -1.18 0.00 0.00 61.69 62.21 2roa s THR 44 Cb -0.23 -3.69 0.38 0.00 1.34 0.00 0.00 72.50 70.29 2roa s THR 44 CO 0.61 -0.51 1.45 -0.62 -0.54 0.00 0.00 174.62 175.02 2roa n GLU 45 N -1.19 -0.07 -0.14 3.99 -0.58 -1.26 0.46 120.64 121.85 2roa n GLU 45 Ca 0.05 1.36 -0.08 0.00 -0.42 0.00 0.00 57.16 58.06 2roa n GLU 45 Cb 0.54 -2.22 -0.03 0.00 -0.57 0.00 0.00 31.44 29.16 2roa n GLU 45 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2roa h GLU 46 N 0.00 -0.27 -0.88 3.49 4.39 -1.99 0.70 114.58 120.02 2roa h GLU 46 Ca 0.61 0.02 0.01 0.00 0.34 0.00 0.00 59.36 60.33 2roa h GLU 46 Cb 1.35 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 30.02 2roa h GLU 46 CO -0.84 -0.18 0.58 0.93 -1.16 0.00 0.00 179.01 178.34 2roa h GLU 47 N -0.28 1.17 -0.70 2.33 5.08 -0.35 0.96 114.58 122.79 2roa h GLU 47 Ca 0.16 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2roa h GLU 47 Cb 0.57 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2roa h GLU 47 CO -0.58 0.78 0.40 -0.07 -1.00 0.00 0.00 179.01 178.54 2roa h LEU 48 N 1.20 0.85 0.29 1.33 4.07 -0.23 0.42 115.31 123.25 2roa h LEU 48 Ca 0.32 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 58.19 2roa h LEU 48 Cb -0.12 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.40 2roa h LEU 48 CO -0.07 0.68 -0.14 -0.61 -1.08 0.00 0.00 178.44 177.23 2roa h GLN 49 N 0.95 -0.37 -0.83 1.13 4.15 0.11 0.91 115.11 121.17 2roa h GLN 49 Ca 0.25 0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.72 2roa h GLN 49 Cb -0.00 0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.73 2roa h GLN 49 CO -0.04 -0.08 0.55 0.22 -1.93 0.00 0.00 178.83 177.54 2roa h ASP 50 N -0.65 0.91 -0.04 -0.69 3.58 -0.68 1.86 116.42 120.70 2roa h ASP 50 Ca -0.04 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.36 2roa h ASP 50 Cb 0.46 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2roa h ASP 50 CO 0.06 0.63 -0.12 0.24 -2.88 0.00 0.00 179.24 177.18 2roa h MET 51 N 1.06 0.15 -0.44 0.28 2.86 -0.04 -0.78 114.93 118.02 2roa h MET 51 Ca 0.32 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 2roa h MET 51 Cb -0.02 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2roa h MET 51 CO -0.09 0.72 0.17 0.82 1.06 0.00 0.00 176.91 179.60 2roa h ILE 52 N -0.39 1.20 -0.51 -1.22 2.04 0.13 -2.60 117.51 116.17 2roa h ILE 52 Ca -0.00 -0.63 0.04 0.00 1.00 0.00 0.00 64.86 65.26 2roa h ILE 52 Cb 0.73 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 2roa h ILE 52 CO 0.03 0.23 0.27 0.28 0.00 0.00 0.00 178.15 178.96 2roa h SER 53 N 0.57 0.40 -1.36 1.72 0.02 0.29 1.87 113.55 117.06 2roa h SER 53 Ca 0.15 0.02 0.39 0.00 -0.84 0.00 0.00 61.79 61.51 2roa h SER 53 Cb 0.20 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 2roa h SER 53 CO -0.01 0.28 1.01 -0.08 -1.14 0.00 0.00 176.83 176.88 2roa h GLU 54 N 0.53 0.00 0.00 3.45 4.57 -0.72 -1.70 114.58 120.70 2roa h GLU 54 Ca 0.22 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.28 2roa h GLU 54 Cb 0.11 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 2roa h GLU 54 CO -0.14 0.00 -1.50 1.55 -1.18 0.00 0.00 179.01 177.74 2roa n VAL 55 N -4.04 0.47 -1.61 0.32 3.14 -0.21 -4.85 118.33 111.54 2roa n VAL 55 Ca 0.30 -0.30 -0.15 0.00 -2.96 0.00 0.00 64.34 61.22 2roa n VAL 55 Cb 1.44 -0.72 -0.11 0.00 -1.06 0.00 0.00 33.84 33.39 2roa n VAL 55 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2roa s ASP 56 N -3.84 3.51 0.35 6.55 -1.08 0.62 -4.64 116.67 118.14 2roa s ASP 56 Ca -0.04 -0.83 0.02 0.00 -0.52 0.00 0.00 52.55 51.19 2roa s ASP 56 Cb 0.02 -2.59 0.63 0.00 -1.46 0.00 0.00 42.92 39.52 2roa s ASP 56 CO 0.30 -4.62 2.00 0.00 0.52 0.00 0.00 175.17 173.37 2roa h ALA 57 N 11.75 1.53 0.00 3.66 0.00 -1.86 -2.53 119.26 131.81 2roa h ALA 57 Ca 0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2roa h ALA 57 Cb 1.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2roa h ALA 57 CO 1.02 0.42 -1.31 -0.40 0.00 0.00 0.00 179.25 178.98 2roa n ASP 58 N -4.43 0.65 -2.78 0.00 5.68 -1.26 -5.03 116.55 109.39 2roa n ASP 58 Ca 0.06 0.26 -0.01 0.00 -0.50 0.00 0.00 54.79 54.61 2roa n ASP 58 Cb 0.05 0.74 0.00 0.00 -1.14 0.00 0.00 41.12 40.77 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 1.24 -1.05 0.00 6.12 0.00 -0.96 -4.98 105.19 105.58 2roa n GLY 59 Ca -0.03 0.35 0.05 0.00 0.00 0.00 0.00 46.02 46.39 2roa n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2roa n ASN 60 N -1.69 0.85 0.00 1.61 5.03 -1.26 -4.98 115.26 114.81 2roa n ASN 60 Ca -0.00 -0.62 0.00 0.00 0.87 0.00 0.00 54.58 54.82 2roa n ASN 60 Cb 0.51 1.09 0.00 0.00 -1.02 0.00 0.00 39.78 40.35 2roa n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2roa n GLY 61 N 1.36 0.73 3.24 7.41 0.00 -1.26 -5.04 105.19 111.63 2roa n GLY 61 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.42 0.14 -0.12 2.61 -4.23 -1.26 -3.48 115.64 106.88 2roa s THR 62 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 2roa s THR 62 Cb 0.00 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.31 2roa s THR 62 CO 0.00 0.00 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.22 2roa s ILE 63 N -3.99 2.06 0.51 2.99 1.01 -0.55 -4.94 121.20 118.29 2roa s ILE 63 Ca 0.39 -1.00 0.08 0.00 0.00 0.00 0.00 60.65 60.11 2roa s ILE 63 Cb 0.07 -1.80 0.04 0.00 0.01 0.00 0.00 42.46 40.78 2roa s ILE 63 CO 0.14 0.55 0.54 -1.61 0.00 0.00 0.00 174.94 174.57 2roa s GLU 64 N 0.56 2.40 0.10 2.79 2.02 -1.26 -1.97 118.70 123.34 2roa s GLU 64 Ca -0.14 -1.69 -0.28 0.00 0.02 0.00 0.00 54.97 52.88 2roa s GLU 64 Cb -0.17 -2.42 -0.12 0.00 0.10 0.00 0.00 34.13 31.52 2roa s GLU 64 CO 0.04 -0.56 1.64 0.35 0.02 0.00 0.00 175.26 176.76 2roa h PHE 65 N 0.62 -0.69 -0.58 1.61 3.57 -1.98 0.98 116.94 120.46 2roa h PHE 65 Ca -0.36 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.23 2roa h PHE 65 Cb 1.29 0.27 -0.07 0.00 2.79 0.00 0.00 35.95 40.22 2roa h PHE 65 CO 0.62 -0.38 0.21 0.38 -2.23 0.00 0.00 178.31 176.91 2roa h ASP 66 N -0.56 0.20 -0.61 0.41 2.03 -1.98 0.62 116.42 116.53 2roa h ASP 66 Ca -0.01 0.08 -0.05 0.00 -0.73 0.00 0.00 57.03 56.32 2roa h ASP 66 Cb 0.51 0.06 -0.03 0.00 -0.83 0.00 0.00 39.33 39.05 2roa h ASP 66 CO -0.05 0.12 0.19 -0.33 -1.03 0.00 0.00 179.24 178.14 2roa h GLU 67 N 0.38 0.96 -0.61 4.15 5.08 -1.83 -1.88 114.58 120.84 2roa h GLU 67 Ca 0.29 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2roa h GLU 67 Cb 0.35 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2roa h GLU 67 CO -0.30 0.85 0.20 0.35 -1.00 0.00 0.00 179.01 179.11 2roa h PHE 68 N 0.88 0.93 -0.55 4.33 3.57 0.26 -0.65 116.94 125.71 2roa h PHE 68 Ca 0.20 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2roa h PHE 68 Cb 0.29 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2roa h PHE 68 CO 0.02 0.74 0.23 1.25 -2.23 0.00 0.00 178.31 178.32 2roa h LEU 69 N 0.88 0.75 -0.34 0.59 5.85 0.63 -1.78 115.31 121.89 2roa h LEU 69 Ca 0.20 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 2roa h LEU 69 Cb 0.24 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2roa h LEU 69 CO -0.01 0.71 0.04 0.28 -0.34 0.00 0.00 178.44 179.12 2roa h SER 70 N 0.75 0.55 -0.54 1.25 0.02 -0.95 -1.22 113.55 113.42 2roa h SER 70 Ca 0.18 -0.27 0.06 0.00 -0.84 0.00 0.00 61.79 60.92 2roa h SER 70 Cb 0.18 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 2roa h SER 70 CO -0.02 0.68 0.26 0.25 -1.14 0.00 0.00 176.83 176.86 2roa h LEU 71 N 0.40 0.35 -0.03 5.07 6.46 -0.88 2.07 115.31 128.73 2roa h LEU 71 Ca 0.10 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 2roa h LEU 71 Cb 0.38 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.29 2roa h LEU 71 CO 0.01 0.23 0.00 0.24 -0.62 0.00 0.00 178.44 178.30 2roa h MET 72 N 0.49 0.06 -0.37 1.25 2.86 -1.24 -1.96 114.93 116.02 2roa h MET 72 Ca 0.24 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.81 2roa h MET 72 Cb 0.19 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2roa h MET 72 CO -0.19 0.34 -0.01 0.00 1.06 0.00 0.00 176.91 178.11 2roa h ALA 73 N 0.72 1.30 -0.14 6.32 0.00 -0.77 -0.21 119.26 126.48 2roa h ALA 73 Ca 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2roa h ALA 73 Cb 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2roa h ALA 73 CO 0.00 0.47 -0.05 -0.22 0.00 0.00 0.00 179.25 179.46 2roa h LYS 74 N 0.55 0.21 0.12 0.00 3.64 0.36 2.25 116.57 123.70 2roa h LYS 74 Ca 0.12 -0.03 -0.30 0.00 -1.27 0.00 0.00 60.65 59.16 2roa h LYS 74 Cb 0.37 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2roa h LYS 74 CO 0.01 0.28 -1.51 -0.22 -2.27 0.00 0.00 179.45 175.74 2roa h LYS 75 N 0.21 0.25 -0.64 1.90 3.64 -0.68 -3.30 116.57 117.96 2roa h LYS 75 Ca 0.05 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2roa h LYS 75 Cb 0.22 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2roa h LYS 75 CO 0.01 1.12 0.00 0.28 -2.27 0.00 0.00 179.45 178.59 2roa n VAL 76 N -3.46 2.14 0.03 2.00 0.31 -0.15 -4.42 118.33 114.79 2roa n VAL 76 Ca -0.16 -1.24 0.07 0.00 -0.01 0.00 0.00 64.34 63.01 2roa n VAL 76 Cb 1.04 -0.04 0.49 0.00 -0.91 0.00 0.00 33.84 34.42 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 4.00 0.39 0.14 5.55 1.63 0.37 -2.56 116.57 126.09 2roa h LYS 77 Ca 0.00 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2roa h LYS 77 Cb 1.64 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 33.15 2roa h LYS 77 CO 0.33 0.26 -0.24 0.22 -3.45 0.00 0.00 179.45 176.57 2roa h ASP 78 N 0.40 -0.67 0.00 4.20 1.82 -1.82 -3.51 116.42 116.84 2roa h ASP 78 Ca 0.16 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.87 2roa h ASP 78 Cb 0.13 0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.39 2roa h ASP 78 CO -0.04 -0.33 0.00 0.41 -1.61 0.00 0.00 179.24 177.67