#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 -4.58 0.00 8.00 -1.26 -4.76 116.55 113.95 2roa n ASP 2 Ca 0.00 0.59 -0.45 0.00 0.71 0.00 0.00 54.79 55.64 2roa n ASP 2 Cb 0.00 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 40.88 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 -1.09 1.92 0.15 0.53 -5.35 -1.26 -4.88 119.36 109.37 2roa n ILE 3 Ca 0.00 -0.48 -0.14 0.00 -0.27 0.00 0.00 62.75 61.86 2roa n ILE 3 Cb 0.00 -0.93 -0.07 0.00 -1.74 0.00 0.00 39.64 36.90 2roa n ILE 3 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2roa h LEU 4 N 2.04 -0.34 0.00 7.28 3.38 -2.09 -3.41 115.31 122.17 2roa h LEU 4 Ca -0.39 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2roa h LEU 4 Cb 1.35 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.20 2roa h LEU 4 CO 0.61 -0.22 0.00 -0.24 0.09 0.00 0.00 178.44 178.68 2roa n SER 5 N -5.25 0.00 0.00 -0.43 2.88 -1.26 -4.55 113.62 105.00 2roa n SER 5 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 2roa n SER 5 Cb 0.17 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 2roa n SER 5 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2roa n GLU 6 N 0.00 0.00 0.10 -1.46 1.02 -1.26 -4.39 120.64 114.65 2roa n GLU 6 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 2roa n GLU 6 Cb 0.00 -1.19 -0.06 0.00 -0.02 0.00 0.00 31.44 30.17 2roa n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2roa h GLU 7 N 0.00 -0.31 -0.29 3.49 4.39 -1.99 -1.92 114.58 117.95 2roa h GLU 7 Ca 0.00 0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 2roa h GLU 7 Cb 0.00 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2roa h GLU 7 CO 0.00 0.03 -0.20 1.96 -1.16 0.00 0.00 179.01 179.64 2roa h GLN 8 N -0.94 0.53 -0.27 2.33 4.20 -1.96 -2.34 115.11 116.66 2roa h GLN 8 Ca -0.03 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 2roa h GLN 8 Cb 0.49 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2roa h GLN 8 CO 0.05 0.70 0.10 0.82 -0.67 0.00 0.00 178.83 179.83 2roa h ILE 9 N 0.48 1.18 -0.31 2.54 1.08 -1.89 0.62 117.51 121.21 2roa h ILE 9 Ca 0.08 -0.57 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 2roa h ILE 9 Cb 0.61 1.06 -0.02 0.00 -3.07 0.00 0.00 36.82 35.40 2roa h ILE 9 CO 0.04 0.19 0.20 0.58 -0.69 0.00 0.00 178.15 178.47 2roa h VAL 10 N 0.28 1.10 0.06 1.67 2.07 -1.20 1.95 116.25 122.18 2roa h VAL 10 Ca 0.09 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 2roa h VAL 10 Cb 0.20 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2roa h VAL 10 CO -0.01 0.09 -0.03 -0.78 0.02 0.00 0.00 177.57 176.87 2roa h ASP 11 N 0.41 -0.07 0.15 0.57 1.82 -1.23 0.39 116.42 118.45 2roa h ASP 11 Ca 0.11 -0.19 -0.01 0.00 -0.39 0.00 0.00 57.03 56.55 2roa h ASP 11 Cb -0.02 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2roa h ASP 11 CO -0.02 0.15 -0.07 -0.26 -1.61 0.00 0.00 179.24 177.43 2roa h PHE 12 N -0.29 -0.18 -0.91 0.28 0.04 0.47 -0.21 116.94 116.13 2roa h PHE 12 Ca -0.01 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.89 2roa h PHE 12 Cb 0.26 0.06 -0.07 0.00 2.20 0.00 0.00 35.95 38.40 2roa h PHE 12 CO -0.00 0.01 0.58 -0.22 -0.60 0.00 0.00 178.31 178.08 2roa h LYS 13 N -0.34 0.73 -0.43 1.51 1.63 0.31 0.17 116.57 120.16 2roa h LYS 13 Ca -0.02 -0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 59.61 2roa h LYS 13 Cb 0.27 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 2roa h LYS 13 CO 0.03 0.48 -0.25 1.49 -3.45 0.00 0.00 179.45 177.76 2roa h GLU 14 N 0.75 0.89 0.20 1.90 4.81 -0.48 0.17 114.58 122.82 2roa h GLU 14 Ca 0.45 -0.39 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2roa h GLU 14 Cb 0.66 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2roa h GLU 14 CO -0.21 1.04 -0.10 0.00 -0.73 0.00 0.00 179.01 179.01 2roa h ALA 15 N 0.95 -0.27 -0.11 2.92 0.00 0.11 0.82 119.26 123.67 2roa h ALA 15 Ca 0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2roa h ALA 15 Cb 0.80 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2roa h ALA 15 CO 0.07 -0.58 0.05 0.35 0.00 0.00 0.00 179.25 179.14 2roa h PHE 16 N -0.42 0.16 -0.65 0.00 3.57 -0.80 -0.03 116.94 118.77 2roa h PHE 16 Ca -0.03 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.54 2roa h PHE 16 Cb 0.32 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.95 2roa h PHE 16 CO -0.02 0.23 0.32 0.78 -2.23 0.00 0.00 178.31 177.39 2roa h GLY 17 N 0.05 0.95 1.20 2.40 0.00 -0.61 0.74 103.07 107.80 2roa h GLY 17 Ca 0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 2roa h GLY 17 CO -0.00 0.07 0.27 1.41 0.00 0.00 0.00 176.54 178.29 2roa h LEU 18 N 0.57 0.94 -0.18 3.11 3.38 -0.58 -2.88 115.31 119.66 2roa h LEU 18 Ca 0.31 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 2roa h LEU 18 Cb 0.29 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2roa h LEU 18 CO -0.24 0.84 -0.10 -0.26 0.09 0.00 0.00 178.44 178.77 2roa h PHE 19 N 1.00 0.45 0.00 1.13 -1.00 0.10 -3.01 116.94 115.62 2roa h PHE 19 Ca 0.23 -0.12 -0.06 0.00 2.81 0.00 0.00 57.97 60.84 2roa h PHE 19 Cb 0.20 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 2roa h PHE 19 CO 0.02 0.71 -0.11 -3.47 -1.61 0.00 0.00 178.31 173.84 2roa n ASP 20 N -4.57 5.00 -0.00 2.17 2.03 0.24 -4.60 116.55 116.81 2roa n ASP 20 Ca -0.05 -2.36 0.15 0.00 0.52 0.00 0.00 54.79 53.05 2roa n ASP 20 Cb 0.33 -1.15 0.23 0.00 -0.72 0.00 0.00 41.12 39.80 2roa n ASP 20 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2roa n LYS 21 N 1.86 0.02 0.08 -0.67 -0.00 -1.14 0.30 118.16 118.61 2roa n LYS 21 Ca 0.13 0.87 -0.02 0.00 -0.00 0.00 0.00 58.31 59.29 2roa n LYS 21 Cb 0.60 -2.23 -0.06 0.00 -0.00 0.00 0.00 35.03 33.34 2roa n LYS 21 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2roa h ASP 22 N 0.00 0.00 0.00 -5.58 2.03 -1.87 -3.48 116.42 107.52 2roa h ASP 22 Ca 0.26 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.56 2roa h ASP 22 Cb 2.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.75 2roa h ASP 22 CO -0.00 0.72 0.00 0.61 -1.03 0.00 0.00 179.24 179.53 2roa n GLY 23 N 1.33 0.50 0.00 7.15 0.00 0.89 -4.91 105.19 110.16 2roa n GLY 23 Ca -0.03 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.52 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 0.98 0.00 0.00 1.61 5.68 -1.26 -4.82 116.55 118.74 2roa n ASP 24 Ca 0.00 0.11 0.00 0.00 -0.50 0.00 0.00 54.79 54.40 2roa n ASP 24 Cb 0.00 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.67 2roa n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2roa n GLY 25 N 0.02 2.85 2.98 6.12 0.00 -1.26 -4.96 105.19 110.95 2roa n GLY 25 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 0.46 5.23 0.64 0.00 1.01 -0.90 -4.94 121.20 122.70 2roa s ILE 27 Ca -0.08 -0.02 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 2roa s ILE 27 Cb -0.12 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 2roa s ILE 27 CO 0.01 -0.02 1.04 -0.89 0.00 0.00 0.00 174.94 175.08 2roa s THR 28 N 1.88 4.50 0.24 2.92 2.01 -1.26 -1.42 115.64 124.51 2roa s THR 28 Ca 0.09 0.81 -0.06 0.00 0.31 0.00 0.00 61.69 62.84 2roa s THR 28 Cb -0.17 -3.78 0.20 0.00 0.01 0.00 0.00 72.50 68.76 2roa s THR 28 CO 0.11 -1.06 1.84 1.62 -0.69 0.00 0.00 174.62 176.44 2roa h VAL 29 N -0.40 1.02 -0.81 3.82 3.04 -1.96 0.46 116.25 121.43 2roa h VAL 29 Ca -0.44 -0.31 -0.02 0.00 -1.01 0.00 0.00 66.70 64.92 2roa h VAL 29 Cb 1.20 0.03 -0.04 0.00 -2.01 0.00 0.00 31.29 30.48 2roa h VAL 29 CO 0.62 0.17 0.42 -0.33 -1.01 0.00 0.00 177.57 177.43 2roa h GLU 30 N 0.91 1.14 -0.22 4.17 5.08 -1.92 -0.03 114.58 123.70 2roa h GLU 30 Ca 0.36 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.45 2roa h GLU 30 Cb 0.18 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2roa h GLU 30 CO -0.18 0.86 -0.39 1.49 -1.00 0.00 0.00 179.01 179.78 2roa h GLU 31 N 1.13 0.51 -0.53 2.33 4.81 -1.58 -2.45 114.58 118.80 2roa h GLU 31 Ca 0.28 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2roa h GLU 31 Cb 0.07 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2roa h GLU 31 CO -0.04 0.82 0.22 1.25 -0.73 0.00 0.00 179.01 180.53 2roa h LEU 32 N 0.42 0.72 -1.00 1.64 5.85 0.56 -1.73 115.31 121.76 2roa h LEU 32 Ca 0.04 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.69 2roa h LEU 32 Cb 0.88 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.64 2roa h LEU 32 CO 0.07 0.68 0.64 0.00 -0.34 0.00 0.00 178.44 179.49 2roa h ALA 33 N 1.07 1.46 -0.72 1.25 0.00 -0.70 0.44 119.26 122.04 2roa h ALA 33 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2roa h ALA 33 Cb 0.18 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2roa h ALA 33 CO -0.02 0.33 0.39 1.15 0.00 0.00 0.00 179.25 181.10 2roa h THR 34 N 1.08 1.22 -0.08 0.00 2.02 -0.89 0.96 112.91 117.22 2roa h THR 34 Ca 0.47 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 2roa h THR 34 Cb 0.34 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 2roa h THR 34 CO -0.22 0.25 -0.03 0.58 0.37 0.00 0.00 175.52 176.47 2roa h VAL 35 N 1.00 1.30 -0.63 3.16 2.07 -0.09 -1.77 116.25 121.30 2roa h VAL 35 Ca 0.25 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 2roa h VAL 35 Cb 0.05 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 2roa h VAL 35 CO -0.04 0.27 0.32 0.40 0.02 0.00 0.00 177.57 178.55 2roa h ILE 36 N -0.19 1.20 -0.84 4.57 2.04 -0.03 -1.65 117.51 122.62 2roa h ILE 36 Ca 0.02 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.37 2roa h ILE 36 Cb 0.44 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 2roa h ILE 36 CO 0.01 0.22 0.55 -0.09 0.00 0.00 0.00 178.15 178.85 2roa h ARG 37 N 0.88 1.09 -0.30 2.37 2.43 0.11 -1.94 114.38 119.02 2roa h ARG 37 Ca 0.22 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 2roa h ARG 37 Cb 0.05 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 2roa h ARG 37 CO -0.03 0.72 -0.16 0.77 -1.51 0.00 0.00 179.97 179.76 2roa h SER 38 N 1.12 0.53 -0.81 -3.80 0.02 -0.43 -3.07 113.55 107.11 2roa h SER 38 Ca 0.31 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 2roa h SER 38 Cb -0.11 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.24 2roa h SER 38 CO -0.07 0.71 0.54 -0.07 -1.14 0.00 0.00 176.83 176.79 2roa h LEU 39 N 0.49 0.92 0.00 5.07 3.38 -0.61 -3.46 115.31 121.10 2roa h LEU 39 Ca 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2roa h LEU 39 Cb 0.56 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2roa h LEU 39 CO 0.04 0.66 0.00 -0.67 0.09 0.00 0.00 178.44 178.56 2roa n ASP 40 N -4.53 0.00 -4.01 -0.43 2.03 -1.11 -5.12 116.55 103.38 2roa n ASP 40 Ca 0.08 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.31 2roa n ASP 40 Cb 0.02 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.32 2roa n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2roa s GLN 41 N 0.00 0.53 -0.45 -0.67 0.00 -1.16 -5.07 119.66 112.84 2roa s GLN 41 Ca 0.00 -0.93 0.06 0.00 -0.00 0.00 0.00 55.36 54.49 2roa s GLN 41 Cb 0.00 0.19 0.20 0.00 0.00 0.00 0.00 33.01 33.41 2roa s GLN 41 CO 0.00 -0.11 0.59 0.09 0.00 0.00 0.00 175.29 175.86 2roa n ASN 42 N 0.66 -1.65 -4.19 12.60 4.13 -1.26 -3.44 115.26 122.11 2roa n ASN 42 Ca -0.18 -2.76 -0.29 0.00 1.68 0.00 0.00 54.58 53.03 2roa n ASN 42 Cb 0.59 0.53 0.27 0.00 -1.54 0.00 0.00 39.78 39.62 2roa n ASN 42 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 2roa n PRO 43 N 2.37 -3.13 -2.44 3.52 -0.02 -1.26 -5.01 135.00 129.03 2roa n PRO 43 Ca 0.21 -0.90 -0.28 0.00 -2.02 0.00 0.00 63.50 60.51 2roa n PRO 43 Cb 0.54 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2roa n PRO 43 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2roa s THR 44 N -2.32 4.79 0.33 3.45 2.01 -1.26 -4.85 115.64 117.79 2roa s THR 44 Ca 0.68 0.34 0.12 0.00 0.31 0.00 0.00 61.69 63.14 2roa s THR 44 Cb -0.22 -3.84 0.34 0.00 0.01 0.00 0.00 72.50 68.78 2roa s THR 44 CO 0.64 -0.90 1.63 -0.33 -0.69 0.00 0.00 174.62 174.97 2roa h GLU 45 N 0.07 0.19 0.02 4.92 3.07 -1.98 0.87 114.58 121.74 2roa h GLU 45 Ca -0.46 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.41 2roa h GLU 45 Cb 1.20 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 29.02 2roa h GLU 45 CO 0.62 0.13 -0.43 0.93 -1.40 0.00 0.00 179.01 178.85 2roa h GLU 46 N 0.20 -0.58 -0.95 2.33 5.08 -1.98 0.62 114.58 119.30 2roa h GLU 46 Ca 0.71 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 59.14 2roa h GLU 46 Cb 1.63 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.95 2roa h GLU 46 CO -0.68 -0.38 0.63 0.93 -1.00 0.00 0.00 179.01 178.50 2roa h GLU 47 N -0.60 1.16 -0.57 2.33 3.07 -1.23 1.23 114.58 119.98 2roa h GLU 47 Ca 0.04 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 2roa h GLU 47 Cb 0.66 -0.26 -0.03 0.00 -0.84 0.00 0.00 28.75 28.29 2roa h GLU 47 CO -0.31 0.77 0.27 -0.07 -1.40 0.00 0.00 179.01 178.27 2roa h LEU 48 N 1.19 0.74 -0.00 1.33 4.07 -0.30 0.88 115.31 123.23 2roa h LEU 48 Ca 0.38 -0.13 -0.00 0.00 0.08 0.00 0.00 57.88 58.21 2roa h LEU 48 Cb 0.02 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.57 2roa h LEU 48 CO -0.12 0.66 -0.01 -0.61 -1.08 0.00 0.00 178.44 177.28 2roa h GLN 49 N 0.77 0.01 -0.82 1.13 4.15 0.13 -0.75 115.11 119.72 2roa h GLN 49 Ca 0.19 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 2roa h GLN 49 Cb 0.12 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.77 2roa h GLN 49 CO -0.02 0.68 0.48 0.22 -1.93 0.00 0.00 178.83 178.25 2roa h ASP 50 N -0.65 1.00 -0.14 -0.69 3.58 0.16 1.20 116.42 120.88 2roa h ASP 50 Ca -0.00 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 2roa h ASP 50 Cb 0.68 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 2roa h ASP 50 CO 0.00 0.78 -0.04 -0.03 -2.88 0.00 0.00 179.24 177.07 2roa h MET 51 N 1.14 0.27 -0.43 0.28 4.05 0.76 0.12 114.93 121.12 2roa h MET 51 Ca 0.29 -0.11 -0.03 0.00 -0.28 0.00 0.00 59.70 59.57 2roa h MET 51 Cb -0.03 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 2roa h MET 51 CO -0.05 0.57 0.13 0.82 0.23 0.00 0.00 176.91 178.61 2roa h ILE 52 N -0.05 1.22 -0.81 1.77 2.04 -0.69 -2.66 117.51 118.33 2roa h ILE 52 Ca 0.03 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.19 2roa h ILE 52 Cb 0.48 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 2roa h ILE 52 CO 0.02 0.26 0.52 -1.28 0.00 0.00 0.00 178.15 177.67 2roa h SER 53 N 0.55 0.88 -1.13 1.72 0.87 0.15 2.17 113.55 118.78 2roa h SER 53 Ca 0.14 -0.01 0.32 0.00 -1.23 0.00 0.00 61.79 61.00 2roa h SER 53 Cb 0.26 -0.21 -0.07 0.00 -0.44 0.00 0.00 62.40 61.95 2roa h SER 53 CO -0.00 0.62 0.78 -0.08 -0.53 0.00 0.00 176.83 177.62 2roa h GLU 54 N 1.04 0.14 0.00 2.24 4.22 -0.39 -2.70 114.58 119.14 2roa h GLU 54 Ca 0.31 -0.01 -0.13 0.00 0.08 0.00 0.00 59.36 59.61 2roa h GLU 54 Cb -0.05 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2roa h GLU 54 CO -0.09 0.10 -1.49 1.55 -2.18 0.00 0.00 179.01 176.89 2roa n VAL 55 N -4.37 0.49 -1.65 0.32 3.14 -0.56 -4.85 118.33 110.85 2roa n VAL 55 Ca 0.26 -0.30 -0.16 0.00 -2.96 0.00 0.00 64.34 61.18 2roa n VAL 55 Cb 1.11 -0.81 -0.10 0.00 -1.06 0.00 0.00 33.84 32.97 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 -3.96 3.63 0.57 6.55 -1.08 0.73 -4.63 116.67 118.48 2roa s ASP 56 Ca -0.04 -0.94 0.26 0.00 -0.52 0.00 0.00 52.55 51.30 2roa s ASP 56 Cb 0.02 -2.59 1.64 0.00 -1.46 0.00 0.00 42.92 40.53 2roa s ASP 56 CO 0.29 -4.52 2.20 0.00 0.52 0.00 0.00 175.17 173.66 2roa h ALA 57 N 11.53 1.72 0.00 3.66 0.00 -1.85 -1.72 119.26 132.60 2roa h ALA 57 Ca 0.03 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2roa h ALA 57 Cb 0.99 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2roa h ALA 57 CO 1.03 -0.06 -1.77 -0.40 0.00 0.00 0.00 179.25 178.05 2roa n ASP 58 N -4.04 0.28 -2.66 0.00 5.68 -1.26 -5.00 116.55 109.55 2roa n ASP 58 Ca -0.02 0.11 -0.16 0.00 -0.50 0.00 0.00 54.79 54.22 2roa n ASP 58 Cb 0.13 1.32 0.06 0.00 -1.14 0.00 0.00 41.12 41.49 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 1.32 -0.09 0.13 6.12 0.00 -0.65 -4.92 105.19 107.11 2roa n GLY 59 Ca -0.08 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.85 0.00 0.00 1.61 -1.07 -1.95 -3.47 115.58 108.85 2roa h ASN 60 Ca -0.40 -0.04 0.00 0.00 0.07 0.00 0.00 56.30 55.93 2roa h ASN 60 Cb 1.26 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.51 2roa h ASN 60 CO 0.39 0.02 0.00 0.61 0.07 0.00 0.00 177.43 178.52 2roa n GLY 61 N 1.24 0.74 3.24 9.14 0.00 -1.26 -5.06 105.19 113.22 2roa n GLY 61 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.17 0.57 -0.14 2.61 -4.23 -1.26 -3.43 115.64 107.60 2roa s THR 62 Ca 0.00 -1.97 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 2roa s THR 62 Cb 0.00 -2.19 -0.00 0.00 1.34 0.00 0.00 72.50 71.65 2roa s THR 62 CO 0.00 -0.40 -0.17 -0.63 -0.54 0.00 0.00 174.62 172.88 2roa s ILE 63 N -3.73 2.56 0.54 2.99 1.01 -0.51 -4.90 121.20 119.16 2roa s ILE 63 Ca 0.26 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 60.12 2roa s ILE 63 Cb 0.06 -2.06 0.03 0.00 0.01 0.00 0.00 42.46 40.51 2roa s ILE 63 CO 0.05 0.53 0.75 -1.61 0.00 0.00 0.00 174.94 174.66 2roa s GLU 64 N 0.67 2.55 0.11 2.79 2.02 -1.26 -2.11 118.70 123.47 2roa s GLU 64 Ca -0.08 -0.88 -0.23 0.00 0.02 0.00 0.00 54.97 53.80 2roa s GLU 64 Cb -0.16 -2.53 -0.07 0.00 0.10 0.00 0.00 34.13 31.47 2roa s GLU 64 CO 0.02 -0.67 1.69 0.35 0.02 0.00 0.00 175.26 176.66 2roa h PHE 65 N 0.14 -0.28 -0.74 1.61 3.57 -1.99 0.97 116.94 120.22 2roa h PHE 65 Ca -0.41 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.09 2roa h PHE 65 Cb 1.29 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 40.13 2roa h PHE 65 CO 0.36 -0.17 0.43 -0.44 -2.23 0.00 0.00 178.31 176.26 2roa h ASP 66 N -0.17 0.90 -0.35 0.41 3.32 -1.97 0.28 116.42 118.84 2roa h ASP 66 Ca 0.05 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 2roa h ASP 66 Cb 0.25 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2roa h ASP 66 CO -0.14 0.72 0.08 -0.33 -1.72 0.00 0.00 179.24 177.84 2roa h GLU 67 N 1.01 0.57 -0.76 3.56 5.08 -1.81 -1.00 114.58 121.25 2roa h GLU 67 Ca 0.26 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2roa h GLU 67 Cb -0.01 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2roa h GLU 67 CO -0.05 0.63 0.35 0.35 -1.00 0.00 0.00 179.01 179.30 2roa h PHE 68 N 0.42 1.10 -0.66 4.33 3.57 0.14 -1.69 116.94 124.15 2roa h PHE 68 Ca 0.11 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 2roa h PHE 68 Cb 0.32 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 2roa h PHE 68 CO 0.02 0.81 0.27 1.25 -2.23 0.00 0.00 178.31 178.43 2roa h LEU 69 N 1.07 0.91 -0.58 0.59 6.46 -0.23 -1.65 115.31 121.87 2roa h LEU 69 Ca 0.26 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 2roa h LEU 69 Cb 0.13 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.80 2roa h LEU 69 CO -0.03 0.83 0.31 0.77 -0.62 0.00 0.00 178.44 179.70 2roa h SER 70 N 0.94 0.74 -0.83 1.25 4.64 -0.81 -2.11 113.55 117.36 2roa h SER 70 Ca 0.22 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 2roa h SER 70 Cb 0.20 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.06 2roa h SER 70 CO -0.02 0.63 0.44 0.25 -0.87 0.00 0.00 176.83 177.27 2roa h LEU 71 N 0.79 1.05 -0.03 5.97 5.85 -0.99 0.19 115.31 128.13 2roa h LEU 71 Ca 0.20 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2roa h LEU 71 Cb 0.07 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 2roa h LEU 71 CO -0.03 0.85 0.02 0.24 -0.34 0.00 0.00 178.44 179.18 2roa h MET 72 N 1.17 0.04 0.00 1.25 2.86 -0.86 -1.51 114.93 117.89 2roa h MET 72 Ca 0.29 -0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.88 2roa h MET 72 Cb 0.05 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2roa h MET 72 CO -0.05 0.08 -0.22 0.00 1.06 0.00 0.00 176.91 177.79 2roa h ALA 73 N 0.96 1.30 -0.27 6.32 0.00 -1.07 -1.06 119.26 125.45 2roa h ALA 73 Ca 0.01 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2roa h ALA 73 Cb 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2roa h ALA 73 CO -0.00 0.28 -0.17 -0.22 0.00 0.00 0.00 179.25 179.14 2roa h LYS 74 N 0.00 0.47 0.17 0.00 3.64 0.29 2.53 116.57 123.67 2roa h LYS 74 Ca -0.00 -0.15 -0.33 0.00 -1.27 0.00 0.00 60.65 58.90 2roa h LYS 74 Cb 0.50 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2roa h LYS 74 CO 0.03 0.63 -1.64 -0.22 -2.27 0.00 0.00 179.45 175.98 2roa h LYS 75 N 0.43 0.35 -0.58 1.90 3.64 -0.76 -3.32 116.57 118.23 2roa h LYS 75 Ca 0.08 -0.60 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2roa h LYS 75 Cb 0.54 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2roa h LYS 75 CO 0.04 1.25 0.00 0.28 -2.27 0.00 0.00 179.45 178.74 2roa n VAL 76 N -3.55 2.53 -0.33 2.00 0.31 -0.45 -4.57 118.33 114.28 2roa n VAL 76 Ca -0.20 -1.39 0.19 0.00 -0.01 0.00 0.00 64.34 62.92 2roa n VAL 76 Cb 1.07 -0.18 0.39 0.00 -0.91 0.00 0.00 33.84 34.21 2roa n VAL 76 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2roa h LYS 77 N 3.91 0.40 0.70 5.55 2.10 0.43 -1.33 116.57 128.33 2roa h LYS 77 Ca 0.00 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.59 2roa h LYS 77 Cb 1.84 -0.09 0.01 0.00 -0.90 0.00 0.00 32.23 33.08 2roa h LYS 77 CO 0.42 0.27 -0.34 0.38 -2.00 0.00 0.00 179.45 178.18 2roa h ASP 78 N 0.42 -0.80 0.00 7.07 2.03 -1.81 -3.50 116.42 119.83 2roa h ASP 78 Ca 0.65 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.96 2roa h ASP 78 Cb 1.35 0.21 0.00 0.00 -0.83 0.00 0.00 39.33 40.06 2roa h ASP 78 CO -0.55 -0.43 0.00 0.41 -1.03 0.00 0.00 179.24 177.64