#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 -7.24 0.00 0.00 8.00 -1.26 -5.03 116.55 111.01 2roa n ASP 2 Ca 0.00 0.56 0.00 0.00 0.71 0.00 0.00 54.79 56.06 2roa n ASP 2 Cb 0.00 -4.06 0.00 0.00 -0.02 0.00 0.00 41.12 37.04 2roa n ASP 2 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2roa n ILE 3 N 0.15 0.00 0.95 0.53 -5.35 -1.26 -4.76 119.36 109.61 2roa n ILE 3 Ca 0.03 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.64 2roa n ILE 3 Cb 0.41 0.00 0.59 0.00 -1.74 0.00 0.00 39.64 38.90 2roa n ILE 3 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2roa n LEU 4 N 0.00 0.01 -0.35 7.28 4.32 -1.26 -3.61 117.00 123.39 2roa n LEU 4 Ca 0.00 0.50 0.10 0.00 -0.02 0.00 0.00 56.01 56.59 2roa n LEU 4 Cb 0.00 -0.50 0.28 0.00 -1.62 0.00 0.00 43.42 41.58 2roa n LEU 4 CO 0.00 -0.03 1.20 0.77 -1.22 0.00 0.00 177.39 178.12 2roa h SER 5 N 0.00 0.83 -0.56 -1.43 4.64 -2.00 -3.28 113.55 111.76 2roa h SER 5 Ca 0.00 0.08 -0.48 0.00 -0.47 0.00 0.00 61.79 60.91 2roa h SER 5 Cb 0.48 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 62.44 2roa h SER 5 CO 0.00 0.36 1.60 -1.84 -0.87 0.00 0.00 176.83 176.09 2roa n GLU 6 N -4.71 2.19 -0.07 4.77 0.28 -1.24 -4.62 120.64 117.24 2roa n GLU 6 Ca 0.21 -2.72 -0.06 0.00 -0.16 0.00 0.00 57.16 54.43 2roa n GLU 6 Cb 0.47 -3.59 -0.02 0.00 1.43 0.00 0.00 31.44 29.73 2roa n GLU 6 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2roa n GLU 7 N 8.18 0.45 0.09 3.44 4.07 -1.24 -3.82 120.64 131.80 2roa n GLU 7 Ca 0.47 0.36 0.01 0.00 -0.06 0.00 0.00 57.16 57.94 2roa n GLU 7 Cb 0.46 -1.50 0.34 0.00 -0.06 0.00 0.00 31.44 30.68 2roa n GLU 7 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 2roa h GLN 8 N -0.92 0.30 -0.48 5.31 1.08 -1.94 -2.33 115.11 116.14 2roa h GLN 8 Ca 0.00 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 2roa h GLN 8 Cb 0.68 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.05 2roa h GLN 8 CO 0.00 0.45 0.20 0.82 -0.95 0.00 0.00 178.83 179.36 2roa h ILE 9 N 0.28 1.20 -0.22 2.54 1.08 -1.91 0.69 117.51 121.19 2roa h ILE 9 Ca 0.05 -0.61 -0.01 0.00 -0.39 0.00 0.00 64.86 63.90 2roa h ILE 9 Cb 0.44 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 2roa h ILE 9 CO 0.03 0.23 0.08 0.58 -0.69 0.00 0.00 178.15 178.38 2roa h VAL 10 N 0.63 1.17 -0.44 1.67 2.07 -1.58 0.28 116.25 120.04 2roa h VAL 10 Ca 0.16 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 2roa h VAL 10 Cb 0.17 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2roa h VAL 10 CO -0.02 0.17 0.12 -0.78 0.02 0.00 0.00 177.57 177.09 2roa h ASP 11 N 0.19 0.66 -0.51 0.57 1.82 -1.21 -1.81 116.42 116.13 2roa h ASP 11 Ca 0.07 -0.22 -0.00 0.00 -0.39 0.00 0.00 57.03 56.49 2roa h ASP 11 Cb 0.19 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.00 2roa h ASP 11 CO -0.01 0.70 0.30 -0.26 -1.61 0.00 0.00 179.24 178.36 2roa h PHE 12 N 0.58 0.68 -0.80 0.28 -1.00 0.59 -1.65 116.94 115.61 2roa h PHE 12 Ca 0.14 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.95 2roa h PHE 12 Cb 0.29 -0.22 -0.05 0.00 3.61 0.00 0.00 35.95 39.59 2roa h PHE 12 CO 0.02 0.48 0.53 -0.22 -1.61 0.00 0.00 178.31 177.50 2roa h LYS 13 N 0.68 0.96 -0.38 1.51 1.63 -0.23 -0.39 116.57 120.35 2roa h LYS 13 Ca 0.18 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.85 2roa h LYS 13 Cb 0.01 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.40 2roa h LYS 13 CO -0.03 0.63 -0.07 1.49 -3.45 0.00 0.00 179.45 178.02 2roa h GLU 14 N 0.99 0.64 -0.41 1.90 4.57 -0.57 0.28 114.58 121.98 2roa h GLU 14 Ca 0.32 -0.18 -0.07 0.00 -1.18 0.00 0.00 59.36 58.25 2roa h GLU 14 Cb 0.04 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 2roa h GLU 14 CO -0.09 0.71 -0.01 0.00 -1.18 0.00 0.00 179.01 178.44 2roa h ALA 15 N 1.33 0.55 -0.05 2.92 0.00 -0.24 0.48 119.26 124.26 2roa h ALA 15 Ca 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2roa h ALA 15 Cb 0.48 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2roa h ALA 15 CO 0.03 0.34 -0.04 0.35 0.00 0.00 0.00 179.25 179.92 2roa h PHE 16 N 0.56 0.13 -0.80 0.00 3.57 -0.86 -1.67 116.94 117.87 2roa h PHE 16 Ca 0.11 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.62 2roa h PHE 16 Cb 0.49 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 2roa h PHE 16 CO 0.04 0.56 0.50 0.78 -2.23 0.00 0.00 178.31 177.96 2roa h GLY 17 N -0.33 1.18 1.19 2.40 0.00 -0.43 0.30 103.07 107.38 2roa h GLY 17 Ca 0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 2roa h GLY 17 CO 0.01 0.30 0.28 1.41 0.00 0.00 0.00 176.54 178.54 2roa h LEU 18 N 0.96 0.95 -0.36 3.11 3.38 -0.88 -2.72 115.31 119.75 2roa h LEU 18 Ca 0.33 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 2roa h LEU 18 Cb 0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2roa h LEU 18 CO -0.13 0.84 -0.23 -0.26 0.09 0.00 0.00 178.44 178.74 2roa h PHE 19 N 1.01 0.94 0.00 1.13 -1.00 -0.20 -3.09 116.94 115.74 2roa h PHE 19 Ca 0.24 -0.25 -0.13 0.00 2.81 0.00 0.00 57.97 60.64 2roa h PHE 19 Cb 0.19 -0.21 -0.05 0.00 3.61 0.00 0.00 35.95 39.49 2roa h PHE 19 CO 0.02 1.01 -0.26 -3.47 -1.61 0.00 0.00 178.31 174.00 2roa n ASP 20 N -4.24 5.10 -0.23 2.17 2.03 0.94 -4.64 116.55 117.69 2roa n ASP 20 Ca -0.02 -2.43 0.26 0.00 0.52 0.00 0.00 54.79 53.12 2roa n ASP 20 Cb 0.45 -1.29 0.40 0.00 -0.72 0.00 0.00 41.12 39.95 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 2.23 0.01 0.13 -0.67 5.02 -1.17 0.30 118.16 124.01 2roa n LYS 21 Ca 0.30 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 57.44 2roa n LYS 21 Cb 0.77 -2.10 0.09 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.88 -3.47 116.42 118.78 2roa h ASP 22 Ca 0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.51 2roa h ASP 22 Cb 2.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.08 2roa h ASP 22 CO -0.00 0.62 0.00 0.61 -1.72 0.00 0.00 179.24 178.75 2roa n GLY 23 N 0.85 0.51 0.00 2.75 0.00 0.88 -4.89 105.19 105.29 2roa n GLY 23 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 0.05 0.00 0.00 1.61 5.75 -1.26 -4.84 116.55 117.85 2roa n ASP 24 Ca 0.00 0.47 0.00 0.00 -0.01 0.00 0.00 54.79 55.25 2roa n ASP 24 Cb 0.00 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 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 0.26 1.62 3.00 6.12 0.00 -1.26 -5.01 105.19 109.91 2roa n GLY 25 Ca 0.04 0.00 -0.21 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 0.35 4.86 0.66 0.00 1.01 -0.89 -4.93 121.20 122.26 2roa s ILE 27 Ca -0.06 -0.21 -0.08 0.00 0.00 0.00 0.00 60.65 60.30 2roa s ILE 27 Cb -0.11 -3.42 0.03 0.00 0.01 0.00 0.00 42.46 38.97 2roa s ILE 27 CO 0.01 0.13 1.00 0.42 0.00 0.00 0.00 174.94 176.50 2roa s THR 28 N 1.67 3.17 0.21 2.92 -4.23 -1.26 -0.84 115.64 117.28 2roa s THR 28 Ca 0.06 0.07 -0.09 0.00 -1.18 0.00 0.00 61.69 60.55 2roa s THR 28 Cb -0.17 -3.32 0.15 0.00 1.34 0.00 0.00 72.50 70.50 2roa s THR 28 CO 0.08 -0.37 1.81 0.58 -0.54 0.00 0.00 174.62 176.18 2roa h VAL 29 N -0.47 0.97 -0.90 2.29 2.07 -1.95 0.87 116.25 119.13 2roa h VAL 29 Ca -0.45 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2roa h VAL 29 Cb 1.27 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 2roa h VAL 29 CO 0.62 0.13 0.57 -0.33 0.02 0.00 0.00 177.57 178.57 2roa h GLU 30 N 0.69 1.20 -0.22 1.57 5.08 -1.93 0.58 114.58 121.55 2roa h GLU 30 Ca 0.30 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.43 2roa h GLU 30 Cb 0.19 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2roa h GLU 30 CO -0.18 0.82 -0.40 0.93 -1.00 0.00 0.00 179.01 179.18 2roa h GLU 31 N 1.23 0.67 -0.45 2.33 5.08 -1.47 -2.00 114.58 119.97 2roa h GLU 31 Ca 0.33 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2roa h GLU 31 Cb -0.10 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2roa h GLU 31 CO -0.07 1.03 0.22 1.25 -1.00 0.00 0.00 179.01 180.45 2roa h LEU 32 N 0.37 0.58 -1.12 1.33 7.12 0.13 -1.64 115.31 122.08 2roa h LEU 32 Ca 0.01 -0.12 0.11 0.00 0.13 0.00 0.00 57.88 58.01 2roa h LEU 32 Cb 0.99 -0.15 -0.07 0.00 -0.53 0.00 0.00 40.66 40.90 2roa h LEU 32 CO 0.09 0.54 0.61 0.00 -0.13 0.00 0.00 178.44 179.54 2roa h ALA 33 N 1.07 1.59 -0.64 1.25 0.00 0.24 0.17 119.26 122.94 2roa h ALA 33 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2roa h ALA 33 Cb 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2roa h ALA 33 CO -0.02 0.20 0.31 1.15 0.00 0.00 0.00 179.25 180.89 2roa h THR 34 N 0.94 1.22 -0.19 0.00 2.02 -0.55 0.56 112.91 116.91 2roa h THR 34 Ca 0.45 -0.62 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 2roa h THR 34 Cb 0.44 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2roa h THR 34 CO -0.21 0.25 0.00 0.58 0.37 0.00 0.00 175.52 176.51 2roa h VAL 35 N 0.88 1.25 -0.79 3.16 2.07 -0.13 -1.99 116.25 120.70 2roa h VAL 35 Ca 0.22 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 2roa h VAL 35 Cb 0.12 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 2roa h VAL 35 CO -0.03 0.26 0.33 0.40 0.02 0.00 0.00 177.57 178.56 2roa h ILE 36 N 0.08 1.26 -0.95 4.57 1.08 -0.58 -1.91 117.51 121.07 2roa h ILE 36 Ca 0.05 -0.79 0.07 0.00 -0.39 0.00 0.00 64.86 63.80 2roa h ILE 36 Cb 0.39 0.29 -0.07 0.00 -3.07 0.00 0.00 36.82 34.36 2roa h ILE 36 CO 0.01 0.33 0.60 -0.09 -0.69 0.00 0.00 178.15 178.31 2roa h ARG 37 N 1.15 1.06 -0.36 2.37 2.43 0.65 -1.38 114.38 120.29 2roa h ARG 37 Ca 0.27 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.26 2roa h ARG 37 Cb 0.19 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2roa h ARG 37 CO -0.03 0.70 -0.24 0.77 -1.51 0.00 0.00 179.97 179.66 2roa h SER 38 N 1.09 0.75 0.00 -3.80 0.02 -0.74 -3.03 113.55 107.83 2roa h SER 38 Ca 0.41 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2roa h SER 38 Cb 0.18 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2roa h SER 38 CO -0.18 0.96 0.00 0.18 -1.14 0.00 0.00 176.83 176.66 2roa n LEU 39 N -4.10 1.13 -1.38 5.07 4.77 -0.55 -4.71 117.00 117.23 2roa n LEU 39 Ca -0.00 -0.57 -0.18 0.00 -0.03 0.00 0.00 56.01 55.24 2roa n LEU 39 Cb 0.44 -0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 41.19 2roa n LEU 39 CO 0.44 0.21 -0.17 0.47 -1.33 0.00 0.00 177.39 177.01 2roa n ASP 40 N 0.50 -5.12 -4.02 -1.43 8.00 -1.14 -4.98 116.55 108.36 2roa n ASP 40 Ca 0.00 0.41 -0.12 0.00 0.71 0.00 0.00 54.79 55.79 2roa n ASP 40 Cb 0.21 -4.17 -0.12 0.00 -0.02 0.00 0.00 41.12 37.02 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 -3.56 0.45 -0.49 -1.24 -0.21 -0.99 -5.06 119.66 108.55 2roa s GLN 41 Ca 0.00 -0.63 0.06 0.00 0.02 0.00 0.00 55.36 54.81 2roa s GLN 41 Cb 0.00 -0.21 0.19 0.00 1.00 0.00 0.00 33.01 33.99 2roa s GLN 41 CO 0.00 0.03 0.62 -1.71 -2.12 0.00 0.00 175.29 172.11 2roa n ASN 42 N 1.73 -2.59 -4.47 5.90 5.15 -1.26 -2.15 115.26 117.56 2roa n ASN 42 Ca -0.21 -2.77 -0.28 0.00 -0.60 0.00 0.00 54.58 50.71 2roa n ASN 42 Cb 0.55 1.09 0.26 0.00 -0.53 0.00 0.00 39.78 41.15 2roa n ASN 42 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2roa s PRO 43 N 0.62 -1.12 0.50 1.20 0.02 -1.26 -5.03 135.00 129.93 2roa s PRO 43 Ca 0.31 0.79 -0.01 0.00 0.02 0.00 0.00 61.00 62.11 2roa s PRO 43 Cb 0.02 -1.53 0.00 0.00 0.02 0.00 0.00 34.50 33.01 2roa s PRO 43 CO -0.10 -3.84 0.74 0.95 -0.33 0.00 0.00 177.00 174.42 2roa s THR 44 N -2.44 3.77 0.29 0.99 -4.23 -1.26 -4.68 115.64 108.08 2roa s THR 44 Ca 0.69 -0.39 0.00 0.00 -1.18 0.00 0.00 61.69 60.81 2roa s THR 44 Cb -0.25 -3.42 0.37 0.00 1.34 0.00 0.00 72.50 70.54 2roa s THR 44 CO 0.65 -0.33 1.59 -0.33 -0.54 0.00 0.00 174.62 175.66 2roa h GLU 45 N 0.22 0.05 0.49 3.99 4.39 -1.96 1.34 114.58 123.11 2roa h GLU 45 Ca -0.46 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.22 2roa h GLU 45 Cb 1.26 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 2roa h GLU 45 CO 0.58 0.03 -0.37 0.93 -1.16 0.00 0.00 179.01 179.02 2roa h GLU 46 N 0.05 -0.79 -0.41 2.33 4.39 -1.96 2.12 114.58 120.31 2roa h GLU 46 Ca 0.56 0.05 -0.00 0.00 0.34 0.00 0.00 59.36 60.31 2roa h GLU 46 Cb 1.12 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.93 2roa h GLU 46 CO -0.84 -0.53 0.24 0.93 -1.16 0.00 0.00 179.01 177.66 2roa h GLU 47 N -0.82 0.55 -0.58 2.33 5.08 -1.49 2.09 114.58 121.74 2roa h GLU 47 Ca -0.06 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2roa h GLU 47 Cb 0.68 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2roa h GLU 47 CO 0.03 0.41 0.34 1.25 -1.00 0.00 0.00 179.01 180.03 2roa h LEU 48 N 0.53 0.71 -0.19 1.33 5.85 0.18 0.44 115.31 124.17 2roa h LEU 48 Ca 0.15 -0.07 -0.15 0.00 0.84 0.00 0.00 57.88 58.64 2roa h LEU 48 Cb 0.00 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.86 2roa h LEU 48 CO -0.03 0.58 -0.45 -0.61 -0.34 0.00 0.00 178.44 177.59 2roa h GLN 49 N 0.78 0.63 -0.58 1.25 4.15 0.39 -1.80 115.11 119.94 2roa h GLN 49 Ca 0.21 -0.43 -0.03 0.00 0.77 0.00 0.00 58.65 59.16 2roa h GLN 49 Cb 0.01 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 2roa h GLN 49 CO -0.04 1.05 0.23 0.22 -1.93 0.00 0.00 178.83 178.36 2roa h ASP 50 N 0.31 0.76 -0.21 -0.69 3.58 0.37 1.10 116.42 121.65 2roa h ASP 50 Ca -0.00 -0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.28 2roa h ASP 50 Cb 1.06 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.91 2roa h ASP 50 CO 0.10 0.69 -0.15 0.24 -2.88 0.00 0.00 179.24 177.24 2roa h MET 51 N 0.83 0.47 -0.34 0.28 2.86 -0.09 -0.53 114.93 118.40 2roa h MET 51 Ca 0.20 -0.23 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 2roa h MET 51 Cb 0.17 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2roa h MET 51 CO -0.02 0.78 -0.05 0.82 1.06 0.00 0.00 176.91 179.50 2roa h ILE 52 N 0.16 1.27 -0.89 -1.22 2.04 -0.90 -2.78 117.51 115.19 2roa h ILE 52 Ca 0.04 -1.08 0.06 0.00 1.00 0.00 0.00 64.86 64.88 2roa h ILE 52 Cb 0.66 1.28 -0.06 0.00 -0.74 0.00 0.00 36.82 37.97 2roa h ILE 52 CO 0.04 0.35 0.58 0.28 0.00 0.00 0.00 178.15 179.40 2roa h SER 53 N 0.43 0.90 -0.99 1.72 0.02 0.13 0.87 113.55 116.64 2roa h SER 53 Ca 0.09 0.00 0.29 0.00 -0.84 0.00 0.00 61.79 61.33 2roa h SER 53 Cb 0.53 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 2roa h SER 53 CO 0.03 0.58 0.76 -0.08 -1.14 0.00 0.00 176.83 176.99 2roa h GLU 54 N 1.02 0.00 0.00 3.45 4.22 -0.79 -2.39 114.58 120.09 2roa h GLU 54 Ca 0.38 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.76 2roa h GLU 54 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2roa h GLU 54 CO -0.14 0.00 -1.29 1.55 -2.18 0.00 0.00 179.01 176.96 2roa n VAL 55 N -4.07 0.22 -1.38 0.32 3.14 -0.27 -4.84 118.33 111.45 2roa n VAL 55 Ca 0.21 -0.17 -0.27 0.00 -2.96 0.00 0.00 64.34 61.15 2roa n VAL 55 Cb 1.10 -0.50 -0.10 0.00 -1.06 0.00 0.00 33.84 33.27 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 1.72 0.31 6.55 -0.08 0.29 -4.59 116.55 118.72 2roa n ASP 56 Ca -0.06 -2.55 0.18 0.00 -1.51 0.00 0.00 54.79 50.85 2roa n ASP 56 Cb 0.50 -1.39 1.00 0.00 2.34 0.00 0.00 41.12 43.57 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 10.52 1.22 0.00 -1.67 0.00 -1.87 -2.27 119.26 125.20 2roa h ALA 57 Ca 0.15 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2roa h ALA 57 Cb 0.88 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2roa h ALA 57 CO 1.39 0.02 -2.07 -0.40 0.00 0.00 0.00 179.25 178.19 2roa n ASP 58 N -3.43 0.29 -1.76 0.00 5.75 -1.26 -5.01 116.55 111.12 2roa n ASP 58 Ca -0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.63 2roa n ASP 58 Cb 0.12 1.60 0.02 0.00 -1.03 0.00 0.00 41.12 41.83 2roa n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2roa n GLY 59 N 1.50 0.02 0.19 6.12 0.00 -0.86 -4.91 105.19 107.25 2roa n GLY 59 Ca -0.13 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.76 0.00 0.00 1.61 7.08 -1.95 -3.46 115.58 118.10 2roa h ASN 60 Ca -0.29 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.93 2roa h ASN 60 Cb 1.20 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.44 2roa h ASN 60 CO 0.31 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 176.27 2roa n GLY 61 N 0.78 0.83 3.12 9.14 0.00 -1.26 -5.06 105.19 112.74 2roa n GLY 61 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.07 0.19 -0.14 2.61 -4.23 -1.26 -3.33 115.64 107.40 2roa s THR 62 Ca 0.00 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 2roa s THR 62 Cb 0.00 -1.78 -0.01 0.00 1.34 0.00 0.00 72.50 72.05 2roa s THR 62 CO 0.00 -0.74 -0.15 -0.63 -0.54 0.00 0.00 174.62 172.56 2roa s ILE 63 N -3.97 2.79 0.47 2.99 1.01 -0.02 -4.93 121.20 119.54 2roa s ILE 63 Ca 0.15 -0.74 0.07 0.00 0.00 0.00 0.00 60.65 60.13 2roa s ILE 63 Cb 0.08 -2.17 0.03 0.00 0.01 0.00 0.00 42.46 40.41 2roa s ILE 63 CO -0.04 0.52 0.65 -1.61 0.00 0.00 0.00 174.94 174.46 2roa s GLU 64 N 0.60 2.67 0.12 2.79 8.01 -1.26 -2.10 118.70 129.52 2roa s GLU 64 Ca -0.09 -1.21 -0.24 0.00 0.01 0.00 0.00 54.97 53.45 2roa s GLU 64 Cb -0.16 -2.68 -0.07 0.00 -4.31 0.00 0.00 34.13 26.91 2roa s GLU 64 CO 0.03 -0.47 1.67 0.35 0.01 0.00 0.00 175.26 176.86 2roa h PHE 65 N 0.44 -0.39 -0.80 1.61 3.57 -1.98 0.73 116.94 120.11 2roa h PHE 65 Ca -0.39 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.19 2roa h PHE 65 Cb 1.28 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 40.14 2roa h PHE 65 CO 0.38 -0.22 0.48 0.38 -2.23 0.00 0.00 178.31 177.10 2roa h ASP 66 N -0.25 0.74 -0.40 0.41 2.03 -1.97 0.82 116.42 117.80 2roa h ASP 66 Ca 0.05 0.02 -0.05 0.00 -0.73 0.00 0.00 57.03 56.32 2roa h ASP 66 Cb 0.32 -0.13 -0.02 0.00 -0.83 0.00 0.00 39.33 38.67 2roa h ASP 66 CO -0.15 0.47 0.05 -0.33 -1.03 0.00 0.00 179.24 178.25 2roa h GLU 67 N 0.87 0.67 -0.21 4.15 5.08 -1.77 -1.13 114.58 122.24 2roa h GLU 67 Ca 0.36 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 2roa h GLU 67 Cb 0.20 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2roa h GLU 67 CO -0.18 0.73 -0.22 0.35 -1.00 0.00 0.00 179.01 178.68 2roa h PHE 68 N 0.52 0.42 -0.37 4.33 3.57 0.14 0.21 116.94 125.76 2roa h PHE 68 Ca 0.12 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 2roa h PHE 68 Cb 0.39 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2roa h PHE 68 CO 0.03 0.59 -0.04 1.25 -2.23 0.00 0.00 178.31 177.91 2roa h LEU 69 N 0.35 0.67 -0.09 0.59 5.85 0.96 -2.52 115.31 121.12 2roa h LEU 69 Ca 0.06 -0.33 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 2roa h LEU 69 Cb 0.59 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2roa h LEU 69 CO 0.04 0.84 -0.29 0.28 -0.34 0.00 0.00 178.44 178.97 2roa h SER 70 N 0.48 0.42 -0.44 1.25 0.02 -0.99 -1.72 113.55 112.57 2roa h SER 70 Ca 0.10 -0.61 0.09 0.00 -0.84 0.00 0.00 61.79 60.53 2roa h SER 70 Cb 0.52 -0.12 -0.10 0.00 0.14 0.00 0.00 62.40 62.84 2roa h SER 70 CO 0.03 0.96 -0.25 0.25 -1.14 0.00 0.00 176.83 176.67 2roa h LEU 71 N -0.09 -0.85 -0.14 5.07 5.85 -0.58 3.61 115.31 128.18 2roa h LEU 71 Ca -0.01 0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2roa h LEU 71 Cb 0.92 0.44 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 2roa h LEU 71 CO 0.06 -0.27 -0.05 -0.03 -0.34 0.00 0.00 178.44 177.81 2roa h MET 72 N -0.16 0.27 -0.38 1.25 4.05 -1.52 -2.39 114.93 116.05 2roa h MET 72 Ca 0.20 -0.11 -0.04 0.00 -0.28 0.00 0.00 59.70 59.47 2roa h MET 72 Cb 0.49 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.26 2roa h MET 72 CO -0.54 0.59 0.05 0.00 0.23 0.00 0.00 176.91 177.24 2roa h ALA 73 N 0.68 1.38 -0.45 0.39 0.00 -0.48 0.12 119.26 120.90 2roa h ALA 73 Ca 0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2roa h ALA 73 Cb 0.49 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2roa h ALA 73 CO 0.02 0.44 0.11 0.87 0.00 0.00 0.00 179.25 180.68 2roa h LYS 74 N 0.56 0.68 0.20 0.00 1.57 0.69 2.49 116.57 122.76 2roa h LYS 74 Ca 0.12 -0.12 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 2roa h LYS 74 Cb 0.28 -0.11 0.03 0.00 0.08 0.00 0.00 32.23 32.51 2roa h LYS 74 CO 0.00 0.62 -1.14 -0.22 -0.57 0.00 0.00 179.45 178.14 2roa h LYS 75 N 0.66 0.43 -0.75 3.15 3.11 -0.87 -3.27 116.57 119.02 2roa h LYS 75 Ca 0.15 -0.72 -0.15 0.00 -2.81 0.00 0.00 60.65 57.11 2roa h LYS 75 Cb 0.25 0.27 -0.09 0.00 -1.00 0.00 0.00 32.23 31.66 2roa h LYS 75 CO -0.00 1.35 0.19 0.28 -2.81 0.00 0.00 179.45 178.46 2roa n VAL 76 N -3.92 2.66 -0.21 2.00 0.31 -0.03 -4.48 118.33 114.66 2roa n VAL 76 Ca -0.15 -1.42 0.11 0.00 -0.01 0.00 0.00 64.34 62.87 2roa n VAL 76 Cb 0.96 -0.37 0.40 0.00 -0.91 0.00 0.00 33.84 33.91 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 2.73 0.64 0.27 5.55 3.64 0.42 -2.22 116.57 127.60 2roa h LYS 77 Ca 0.19 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2roa h LYS 77 Cb 2.12 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 33.77 2roa h LYS 77 CO 0.63 0.42 -0.31 0.38 -2.27 0.00 0.00 179.45 178.30 2roa h ASP 78 N 0.66 -0.86 -0.02 4.20 2.03 -1.81 -3.50 116.42 117.12 2roa h ASP 78 Ca 0.38 0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.76 2roa h ASP 78 Cb 0.57 0.30 0.00 0.00 -0.83 0.00 0.00 39.33 39.37 2roa h ASP 78 CO -0.15 -0.44 0.00 0.35 -1.03 0.00 0.00 179.24 177.98