#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 7.36 -3.77 0.00 5.68 -1.26 -4.88 116.55 119.68 2roa n ASP 2 Ca 0.00 -3.27 -0.13 0.00 -0.50 0.00 0.00 54.79 50.89 2roa n ASP 2 Cb 0.00 -1.27 -0.12 0.00 -1.14 0.00 0.00 41.12 38.59 2roa n ASP 2 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 2roa s ILE 3 N -2.18 -0.01 0.12 2.12 2.07 -1.26 -5.05 121.20 117.02 2roa s ILE 3 Ca 0.54 0.03 -0.17 0.00 -1.41 0.00 0.00 60.65 59.64 2roa s ILE 3 Cb 0.28 -0.39 -0.03 0.00 0.13 0.00 0.00 42.46 42.44 2roa s ILE 3 CO -0.17 0.01 1.70 -0.07 -1.91 0.00 0.00 174.94 174.50 2roa h LEU 4 N 6.02 0.44 -0.14 8.50 3.38 -2.11 -3.49 115.31 127.91 2roa h LEU 4 Ca -0.29 -0.13 0.10 0.00 0.09 0.00 0.00 57.88 57.66 2roa h LEU 4 Cb 1.18 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 2roa h LEU 4 CO 0.34 0.45 -0.30 -0.24 0.09 0.00 0.00 178.44 178.78 2roa n SER 5 N -4.74 -2.38 -2.60 -0.43 2.88 -1.26 -4.84 113.62 100.25 2roa n SER 5 Ca -0.01 0.34 -0.08 0.00 -1.33 0.00 0.00 58.87 57.79 2roa n SER 5 Cb 0.11 -1.36 0.04 0.00 -0.75 0.00 0.00 64.21 62.25 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 -2.89 2.23 -0.04 -1.46 1.02 -1.26 -4.82 120.64 113.41 2roa n GLU 6 Ca -0.02 -3.70 -0.03 0.00 -0.02 0.00 0.00 57.16 53.39 2roa n GLU 6 Cb 0.19 -1.77 -0.01 0.00 -0.02 0.00 0.00 31.44 29.83 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 -0.57 0.26 -0.00 3.49 4.07 -1.26 -3.68 120.64 122.95 2roa n GLU 7 Ca 0.18 0.29 -0.03 0.00 -0.06 0.00 0.00 57.16 57.55 2roa n GLU 7 Cb 0.84 -1.16 0.23 0.00 -0.06 0.00 0.00 31.44 31.29 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 -0.53 0.52 -0.46 5.31 1.08 -1.94 -2.05 115.11 117.04 2roa h GLN 8 Ca 0.00 -0.16 -0.04 0.00 -1.45 0.00 0.00 58.65 57.00 2roa h GLN 8 Cb 0.37 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 2roa h GLN 8 CO 0.00 0.66 0.15 0.82 -0.95 0.00 0.00 178.83 179.51 2roa h ILE 9 N 0.48 1.22 -0.55 2.54 1.08 -1.88 -1.94 117.51 118.46 2roa h ILE 9 Ca 0.08 -0.74 -0.05 0.00 -0.39 0.00 0.00 64.86 63.77 2roa h ILE 9 Cb 0.55 0.83 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 2roa h ILE 9 CO 0.03 0.27 0.15 0.58 -0.69 0.00 0.00 178.15 178.49 2roa h VAL 10 N 0.61 1.24 -0.24 1.67 2.07 -1.59 -0.47 116.25 119.54 2roa h VAL 10 Ca 0.15 -0.84 0.05 0.00 0.82 0.00 0.00 66.70 66.87 2roa h VAL 10 Cb 0.26 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 2roa h VAL 10 CO -0.01 0.31 -0.04 0.44 0.02 0.00 0.00 177.57 178.30 2roa h ASP 11 N 0.77 -0.18 -0.24 0.57 3.32 -1.10 0.73 116.42 120.30 2roa h ASP 11 Ca 0.17 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 2roa h ASP 11 Cb 0.32 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2roa h ASP 11 CO -0.00 -0.06 0.11 -0.26 -1.72 0.00 0.00 179.24 177.31 2roa h PHE 12 N 0.03 0.34 -0.81 4.55 0.04 -1.17 -0.90 116.94 119.02 2roa h PHE 12 Ca 0.11 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.87 2roa h PHE 12 Cb 0.17 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.17 2roa h PHE 12 CO -0.23 0.34 0.51 -0.22 -0.60 0.00 0.00 178.31 178.11 2roa h LYS 13 N 0.25 1.08 -0.55 1.51 3.11 -0.50 0.41 116.57 121.88 2roa h LYS 13 Ca 0.08 -0.08 -0.07 0.00 -2.81 0.00 0.00 60.65 57.77 2roa h LYS 13 Cb 0.12 -0.24 -0.02 0.00 -1.00 0.00 0.00 32.23 31.09 2roa h LYS 13 CO -0.01 0.73 0.04 1.49 -2.81 0.00 0.00 179.45 178.90 2roa h GLU 14 N 1.10 0.91 -0.02 1.90 4.81 0.87 0.07 114.58 124.22 2roa h GLU 14 Ca 0.29 -0.24 -0.17 0.00 -0.13 0.00 0.00 59.36 59.11 2roa h GLU 14 Cb -0.09 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 2roa h GLU 14 CO -0.06 0.88 -0.75 0.00 -0.73 0.00 0.00 179.01 178.35 2roa h ALA 15 N 1.19 0.70 -0.14 2.92 0.00 -0.13 -2.14 119.26 121.66 2roa h ALA 15 Ca 0.17 -0.65 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 2roa h ALA 15 Cb 0.44 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2roa h ALA 15 CO 0.02 0.85 -0.11 0.35 0.00 0.00 0.00 179.25 180.36 2roa h PHE 16 N 0.10 0.38 -0.60 0.00 3.57 0.25 -1.55 116.94 119.09 2roa h PHE 16 Ca -0.02 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.30 2roa h PHE 16 Cb 1.32 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.95 2roa h PHE 16 CO 0.02 0.70 0.09 0.78 -2.23 0.00 0.00 178.31 177.67 2roa h GLY 17 N -0.05 1.04 1.16 2.40 0.00 -1.03 0.11 103.07 106.70 2roa h GLY 17 Ca 0.02 -0.67 -0.04 0.00 0.00 0.00 0.00 47.33 46.64 2roa h GLY 17 CO 0.03 0.62 0.28 -2.00 0.00 0.00 0.00 176.54 175.47 2roa h LEU 18 N 0.91 0.99 -0.28 3.11 7.12 -1.33 -2.70 115.31 123.13 2roa h LEU 18 Ca 0.19 -0.15 -0.20 0.00 0.13 0.00 0.00 57.88 57.85 2roa h LEU 18 Cb 0.41 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.28 2roa h LEU 18 CO 0.01 0.88 -0.66 -0.26 -0.13 0.00 0.00 178.44 178.28 2roa h PHE 19 N 1.05 1.00 -0.74 1.25 -1.00 -0.77 -3.21 116.94 114.51 2roa h PHE 19 Ca 0.24 -0.40 -0.42 0.00 2.81 0.00 0.00 57.97 60.21 2roa h PHE 19 Cb 0.21 -0.17 -0.14 0.00 3.61 0.00 0.00 35.95 39.45 2roa h PHE 19 CO 0.02 1.21 0.26 -3.47 -1.61 0.00 0.00 178.31 174.73 2roa n ASP 20 N -3.96 6.18 -0.46 2.17 2.03 0.33 -4.72 116.55 118.12 2roa n ASP 20 Ca -0.05 -2.98 0.37 0.00 0.52 0.00 0.00 54.79 52.64 2roa n ASP 20 Cb 0.68 -1.30 0.56 0.00 -0.72 0.00 0.00 41.12 40.35 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 1.41 0.00 0.16 -0.67 4.76 -1.20 0.32 118.16 122.95 2roa n LYS 21 Ca 0.48 0.83 0.02 0.00 -2.87 0.00 0.00 58.31 56.77 2roa n LYS 21 Cb 0.65 -1.97 0.24 0.00 -1.84 0.00 0.00 35.03 32.11 2roa n LYS 21 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2roa h ASP 22 N 0.00 0.00 -0.01 4.39 3.32 -1.86 -3.47 116.42 118.79 2roa h ASP 22 Ca 0.65 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.69 2roa h ASP 22 Cb 2.79 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 42.34 2roa h ASP 22 CO -0.01 0.51 -0.00 0.61 -1.72 0.00 0.00 179.24 178.63 2roa n GLY 23 N 0.27 0.47 0.00 2.75 0.00 0.94 -4.89 105.19 104.73 2roa n GLY 23 Ca -0.01 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 0.13 0.00 0.00 1.61 5.75 -1.26 -4.83 116.55 117.95 2roa n ASP 24 Ca -0.00 0.49 0.00 0.00 -0.01 0.00 0.00 54.79 55.26 2roa n ASP 24 Cb 0.04 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 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 0.03 1.03 2.99 6.12 0.00 -1.26 -5.03 105.19 109.08 2roa n GLY 25 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 0.11 4.77 0.64 0.00 1.01 -0.81 -4.89 121.20 122.03 2roa s ILE 27 Ca -0.02 -0.39 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 2roa s ILE 27 Cb -0.07 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 2roa s ILE 27 CO 0.00 0.03 1.01 -0.89 0.00 0.00 0.00 174.94 175.09 2roa s THR 28 N 1.64 3.99 0.41 2.92 2.01 -1.26 -0.54 115.64 124.81 2roa s THR 28 Ca 0.05 0.47 0.08 0.00 0.31 0.00 0.00 61.69 62.60 2roa s THR 28 Cb -0.17 -3.62 0.28 0.00 0.01 0.00 0.00 72.50 69.00 2roa s THR 28 CO 0.07 -0.76 2.03 1.62 -0.69 0.00 0.00 174.62 176.90 2roa h VAL 29 N -0.38 1.05 -0.56 3.82 3.04 -1.94 0.20 116.25 121.48 2roa h VAL 29 Ca -0.45 -0.19 -0.09 0.00 -1.01 0.00 0.00 66.70 64.96 2roa h VAL 29 Cb 1.23 0.46 -0.02 0.00 -2.01 0.00 0.00 31.29 30.95 2roa h VAL 29 CO 0.62 0.10 -0.03 -0.33 -1.01 0.00 0.00 177.57 176.93 2roa h GLU 30 N 0.54 0.99 -0.20 4.17 5.08 -1.92 -0.22 114.58 123.01 2roa h GLU 30 Ca 0.19 -0.31 -0.17 0.00 -1.00 0.00 0.00 59.36 58.07 2roa h GLU 30 Cb 0.10 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2roa h GLU 30 CO -0.05 0.98 -0.56 0.93 -1.00 0.00 0.00 179.01 179.32 2roa h GLU 31 N 0.90 0.62 -0.46 2.33 5.08 -1.52 -2.34 114.58 119.19 2roa h GLU 31 Ca 0.16 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 2roa h GLU 31 Cb 0.56 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2roa h GLU 31 CO 0.03 1.01 0.21 1.25 -1.00 0.00 0.00 179.01 180.51 2roa h LEU 32 N 0.47 0.61 -1.02 1.33 5.85 -0.37 -0.64 115.31 121.54 2roa h LEU 32 Ca 0.01 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.67 2roa h LEU 32 Cb 1.11 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.92 2roa h LEU 32 CO 0.11 0.58 0.64 0.00 -0.34 0.00 0.00 178.44 179.43 2roa h ALA 33 N 1.05 1.44 -0.70 1.25 0.00 -0.89 0.34 119.26 121.75 2roa h ALA 33 Ca 0.16 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2roa h ALA 33 Cb 0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2roa h ALA 33 CO -0.02 0.39 0.18 1.15 0.00 0.00 0.00 179.25 180.95 2roa h THR 34 N 1.12 1.26 -0.23 0.00 2.02 -0.81 0.21 112.91 116.48 2roa h THR 34 Ca 0.45 -0.95 -0.04 0.00 0.77 0.00 0.00 66.41 66.63 2roa h THR 34 Cb 0.25 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2roa h THR 34 CO -0.19 0.37 -0.01 0.58 0.37 0.00 0.00 175.52 176.64 2roa h VAL 35 N 1.06 1.26 -0.76 3.16 2.07 0.55 -1.92 116.25 121.67 2roa h VAL 35 Ca 0.22 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 2roa h VAL 35 Cb 0.36 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 2roa h VAL 35 CO 0.00 0.29 0.41 0.40 0.02 0.00 0.00 177.57 178.69 2roa h ILE 36 N 0.18 1.23 -0.98 4.57 1.08 -0.25 -1.45 117.51 121.90 2roa h ILE 36 Ca 0.07 -0.58 0.07 0.00 -0.39 0.00 0.00 64.86 64.02 2roa h ILE 36 Cb 0.42 0.23 -0.07 0.00 -3.07 0.00 0.00 36.82 34.34 2roa h ILE 36 CO 0.01 0.26 0.63 -0.09 -0.69 0.00 0.00 178.15 178.27 2roa h ARG 37 N 1.05 1.10 -0.20 2.37 2.43 -0.43 -0.96 114.38 119.73 2roa h ARG 37 Ca 0.27 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.25 2roa h ARG 37 Cb 0.04 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 2roa h ARG 37 CO -0.04 0.73 -0.37 0.77 -1.51 0.00 0.00 179.97 179.55 2roa h SER 38 N 1.13 0.46 -0.83 -3.80 0.02 -0.53 -3.16 113.55 106.85 2roa h SER 38 Ca 0.42 -0.19 0.02 0.00 -0.84 0.00 0.00 61.79 61.20 2roa h SER 38 Cb 0.18 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 2roa h SER 38 CO -0.17 0.79 0.54 -0.07 -1.14 0.00 0.00 176.83 176.79 2roa h LEU 39 N 0.37 0.93 0.00 5.07 3.38 -0.17 -3.46 115.31 121.43 2roa h LEU 39 Ca 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2roa h LEU 39 Cb 0.82 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2roa h LEU 39 CO 0.07 0.66 0.00 0.47 0.09 0.00 0.00 178.44 179.73 2roa n ASP 40 N -4.53 0.00 -3.87 -0.43 8.00 -1.10 -5.12 116.55 109.51 2roa n ASP 40 Ca 0.09 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.50 2roa n ASP 40 Cb 0.04 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.07 2roa n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2roa s GLN 41 N 0.00 0.94 -0.46 -1.24 -2.07 -1.18 -5.07 119.66 110.57 2roa s GLN 41 Ca 0.00 -1.00 0.06 0.00 -1.82 0.00 0.00 55.36 52.60 2roa s GLN 41 Cb 0.00 0.36 0.19 0.00 -1.09 0.00 0.00 33.01 32.47 2roa s GLN 41 CO 0.00 -0.32 0.56 -1.71 -1.32 0.00 0.00 175.29 172.51 2roa n ASN 42 N -0.11 -1.93 -3.20 12.60 5.15 -1.26 -3.21 115.26 123.30 2roa n ASN 42 Ca -0.13 -2.70 -0.21 0.00 -0.60 0.00 0.00 54.58 50.93 2roa n ASN 42 Cb 0.63 0.63 0.21 0.00 -0.53 0.00 0.00 39.78 40.71 2roa n ASN 42 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2roa n PRO 43 N 2.70 -3.71 -3.38 1.20 -0.02 -1.26 -4.99 135.00 125.54 2roa n PRO 43 Ca 0.23 -1.02 -0.33 0.00 -2.02 0.00 0.00 63.50 60.36 2roa n PRO 43 Cb 0.53 -1.39 -0.06 0.00 -0.02 0.00 0.00 33.50 32.56 2roa n PRO 43 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2roa s THR 44 N -1.81 4.90 0.57 3.45 -4.23 -1.26 -4.91 115.64 112.35 2roa s THR 44 Ca 0.47 0.61 0.40 0.00 -1.18 0.00 0.00 61.69 61.99 2roa s THR 44 Cb -0.08 -3.65 0.59 0.00 1.34 0.00 0.00 72.50 70.70 2roa s THR 44 CO 0.39 0.03 1.56 -0.33 -0.54 0.00 0.00 174.62 175.73 2roa h GLU 45 N 2.86 0.00 0.11 3.99 5.08 -1.99 0.90 114.58 125.54 2roa h GLU 45 Ca -0.47 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 2roa h GLU 45 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2roa h GLU 45 CO 0.68 0.00 -0.05 1.49 -1.00 0.00 0.00 179.01 180.12 2roa h GLU 46 N 0.00 -0.14 -0.45 2.33 4.81 -1.98 0.13 114.58 119.27 2roa h GLU 46 Ca 0.71 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.86 2roa h GLU 46 Cb 3.12 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 32.52 2roa h GLU 46 CO -0.01 -0.02 -0.06 0.93 -0.73 0.00 0.00 179.01 179.12 2roa h GLU 47 N -0.24 0.78 -0.60 1.92 5.08 0.44 0.82 114.58 122.78 2roa h GLU 47 Ca -0.02 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 2roa h GLU 47 Cb 0.20 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2roa h GLU 47 CO 0.03 0.83 0.27 -0.07 -1.00 0.00 0.00 179.01 179.07 2roa h LEU 48 N 0.71 0.80 -0.04 1.33 4.07 -1.16 0.62 115.31 121.64 2roa h LEU 48 Ca 0.13 -0.14 -0.13 0.00 0.08 0.00 0.00 57.88 57.81 2roa h LEU 48 Cb 0.53 -0.21 0.01 0.00 1.08 0.00 0.00 40.66 42.07 2roa h LEU 48 CO 0.03 0.72 -0.49 1.56 -1.08 0.00 0.00 178.44 179.18 2roa h GLN 49 N 0.83 0.41 -0.77 1.13 4.20 -0.36 -1.74 115.11 118.80 2roa h GLN 49 Ca 0.20 -0.38 -0.03 0.00 0.06 0.00 0.00 58.65 58.50 2roa h GLN 49 Cb 0.15 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 2roa h GLN 49 CO -0.02 1.04 0.35 0.22 -0.67 0.00 0.00 178.83 179.75 2roa h ASP 50 N -0.09 1.01 -0.30 1.46 1.82 0.81 1.03 116.42 122.16 2roa h ASP 50 Ca -0.05 -0.13 -0.07 0.00 -0.39 0.00 0.00 57.03 56.39 2roa h ASP 50 Cb 1.18 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.92 2roa h ASP 50 CO 0.10 0.87 -0.08 -0.03 -1.61 0.00 0.00 179.24 178.48 2roa h MET 51 N 1.10 0.59 -0.34 0.28 4.05 0.21 0.19 114.93 121.01 2roa h MET 51 Ca 0.26 -0.23 -0.06 0.00 -0.28 0.00 0.00 59.70 59.40 2roa h MET 51 Cb 0.14 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 2roa h MET 51 CO -0.03 0.78 -0.01 0.82 0.23 0.00 0.00 176.91 178.70 2roa h ILE 52 N 0.35 1.26 -0.66 1.77 2.04 -0.89 -2.72 117.51 118.66 2roa h ILE 52 Ca 0.07 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 2roa h ILE 52 Cb 0.57 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 2roa h ILE 52 CO 0.03 0.32 0.37 -1.28 0.00 0.00 0.00 178.15 177.59 2roa h SER 53 N 0.40 0.81 -0.66 1.72 0.87 0.12 2.52 113.55 119.33 2roa h SER 53 Ca 0.09 -0.06 0.10 0.00 -1.23 0.00 0.00 61.79 60.70 2roa h SER 53 Cb 0.46 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 2roa h SER 53 CO 0.02 0.65 0.44 -0.08 -0.53 0.00 0.00 176.83 177.33 2roa h GLU 54 N 0.92 0.48 0.00 2.24 4.81 -0.30 -3.12 114.58 119.61 2roa h GLU 54 Ca 0.24 -0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 59.23 2roa h GLU 54 Cb 0.02 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 2roa h GLU 54 CO -0.04 0.32 -1.78 1.55 -0.73 0.00 0.00 179.01 178.33 2roa n VAL 55 N -4.48 0.78 -1.48 0.32 3.14 -0.69 -4.80 118.33 111.11 2roa n VAL 55 Ca 0.11 -0.47 -0.27 0.00 -2.96 0.00 0.00 64.34 60.75 2roa n VAL 55 Cb 0.37 -0.71 -0.09 0.00 -1.06 0.00 0.00 33.84 32.34 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 -2.44 1.94 0.22 6.55 -0.08 0.84 -4.62 116.55 118.96 2roa n ASP 56 Ca -0.19 -2.58 0.18 0.00 -1.51 0.00 0.00 54.79 50.69 2roa n ASP 56 Cb 0.86 -1.45 0.85 0.00 2.34 0.00 0.00 41.12 43.73 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 10.34 1.73 0.00 -1.67 0.00 -1.84 0.14 119.26 127.95 2roa h ALA 57 Ca 0.16 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2roa h ALA 57 Cb 0.89 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2roa h ALA 57 CO 1.37 -0.32 -1.71 -0.40 0.00 0.00 0.00 179.25 178.19 2roa n ASP 58 N -3.64 0.40 -2.11 0.00 5.75 -1.26 -5.00 116.55 110.69 2roa n ASP 58 Ca 0.02 0.17 -0.14 0.00 -0.01 0.00 0.00 54.79 54.82 2roa n ASP 58 Cb 0.35 1.03 0.04 0.00 -1.03 0.00 0.00 41.12 41.51 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 1.36 0.03 0.12 6.12 0.00 0.04 -4.92 105.19 107.95 2roa n GLY 59 Ca -0.10 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.24 0.00 0.00 1.61 -1.07 -1.95 -3.47 115.58 109.46 2roa h ASN 60 Ca -0.32 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.04 2roa h ASN 60 Cb 1.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.47 2roa h ASN 60 CO 0.33 0.01 0.00 0.61 0.07 0.00 0.00 177.43 178.44 2roa n GLY 61 N 1.27 0.75 3.18 9.14 0.00 -1.26 -5.05 105.19 113.23 2roa n GLY 61 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.52 0.87 -0.16 2.61 -4.23 -1.26 -3.06 115.64 107.89 2roa s THR 62 Ca 0.00 -1.81 -0.03 0.00 -1.18 0.00 0.00 61.69 58.68 2roa s THR 62 Cb 0.00 -1.54 -0.02 0.00 1.34 0.00 0.00 72.50 72.28 2roa s THR 62 CO 0.00 -0.71 -0.06 -0.63 -0.54 0.00 0.00 174.62 172.68 2roa s ILE 63 N -3.01 3.54 0.59 2.99 1.01 0.30 -4.92 121.20 121.70 2roa s ILE 63 Ca 0.09 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.31 2roa s ILE 63 Cb 0.01 -2.55 0.07 0.00 0.01 0.00 0.00 42.46 40.00 2roa s ILE 63 CO -0.02 0.48 0.82 -1.83 0.00 0.00 0.00 174.94 174.39 2roa s GLU 64 N 0.62 2.24 0.14 2.79 -1.05 -1.26 -1.93 118.70 120.25 2roa s GLU 64 Ca -0.04 -1.19 -0.19 0.00 -0.15 0.00 0.00 54.97 53.40 2roa s GLU 64 Cb -0.15 -2.52 0.02 0.00 -0.44 0.00 0.00 34.13 31.04 2roa s GLU 64 CO 0.03 -0.92 1.68 0.35 0.95 0.00 0.00 175.26 177.35 2roa h PHE 65 N -0.00 -0.21 0.67 4.83 3.57 -1.98 0.55 116.94 124.37 2roa h PHE 65 Ca -0.37 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.13 2roa h PHE 65 Cb 1.28 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 2roa h PHE 65 CO 0.21 -0.15 -0.45 -0.44 -2.23 0.00 0.00 178.31 175.25 2roa h ASP 66 N -0.04 -1.15 -0.79 0.41 3.32 -1.98 0.58 116.42 116.77 2roa h ASP 66 Ca 0.13 0.07 0.14 0.00 0.02 0.00 0.00 57.03 57.40 2roa h ASP 66 Cb 0.24 0.35 -0.09 0.00 0.22 0.00 0.00 39.33 40.04 2roa h ASP 66 CO -0.30 -0.68 0.36 -0.33 -1.72 0.00 0.00 179.24 176.58 2roa h GLU 67 N -1.07 0.51 -0.34 3.56 5.08 -1.89 0.51 114.58 120.95 2roa h GLU 67 Ca -0.09 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2roa h GLU 67 Cb 0.87 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2roa h GLU 67 CO 0.06 0.34 0.16 0.35 -1.00 0.00 0.00 179.01 178.92 2roa h PHE 68 N 0.53 0.49 -0.50 4.33 3.57 0.59 0.39 116.94 126.34 2roa h PHE 68 Ca 0.43 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.86 2roa h PHE 68 Cb 0.62 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 2roa h PHE 68 CO -0.13 0.44 0.15 1.25 -2.23 0.00 0.00 178.31 177.79 2roa h LEU 69 N 0.41 0.74 -0.35 0.59 6.46 0.18 0.27 115.31 123.61 2roa h LEU 69 Ca 0.12 -0.21 -0.04 0.00 -0.12 0.00 0.00 57.88 57.62 2roa h LEU 69 Cb 0.13 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 2roa h LEU 69 CO -0.01 0.75 0.05 0.28 -0.62 0.00 0.00 178.44 178.89 2roa h SER 70 N 0.68 0.57 -0.45 1.25 0.02 0.15 0.03 113.55 115.81 2roa h SER 70 Ca 0.16 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.80 2roa h SER 70 Cb 0.28 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2roa h SER 70 CO -0.00 0.69 0.11 0.25 -1.14 0.00 0.00 176.83 176.74 2roa h LEU 71 N 0.43 0.68 -0.54 5.07 5.85 -0.04 -1.23 115.31 125.52 2roa h LEU 71 Ca 0.11 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2roa h LEU 71 Cb 0.37 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2roa h LEU 71 CO 0.01 0.73 0.20 0.24 -0.34 0.00 0.00 178.44 179.28 2roa h MET 72 N 0.59 0.83 0.11 1.25 2.86 -0.36 -1.33 114.93 118.89 2roa h MET 72 Ca 0.14 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2roa h MET 72 Cb 0.32 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 2roa h MET 72 CO 0.00 0.74 -0.09 0.00 1.06 0.00 0.00 176.91 178.61 2roa h ALA 73 N 1.05 -0.20 0.00 6.32 0.00 -0.79 0.41 119.26 126.06 2roa h ALA 73 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2roa h ALA 73 Cb 0.23 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2roa h ALA 73 CO -0.01 -0.62 0.00 0.87 0.00 0.00 0.00 179.25 179.49 2roa h LYS 74 N -0.22 0.00 0.07 0.00 1.57 -1.04 2.74 116.57 119.69 2roa h LYS 74 Ca -0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 2roa h LYS 74 Cb 0.20 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 2roa h LYS 74 CO -0.01 0.00 -1.71 -0.22 -0.57 0.00 0.00 179.45 176.93 2roa h LYS 75 N 0.00 0.15 -0.29 3.15 3.64 0.06 -3.37 116.57 119.90 2roa h LYS 75 Ca 0.00 -0.25 -0.21 0.00 -1.27 0.00 0.00 60.65 58.92 2roa h LYS 75 Cb 0.03 0.09 -0.18 0.00 -0.41 0.00 0.00 32.23 31.77 2roa h LYS 75 CO 0.00 0.89 -0.65 0.28 -2.27 0.00 0.00 179.45 177.71 2roa n VAL 76 N -3.30 2.24 -0.11 2.00 0.31 0.13 -4.80 118.33 114.80 2roa n VAL 76 Ca -0.20 -3.53 -0.08 0.00 -0.01 0.00 0.00 64.34 60.52 2roa n VAL 76 Cb 1.04 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 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 1.47 0.43 0.27 5.55 3.64 0.46 -3.18 116.57 125.21 2roa h LYS 77 Ca 0.13 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2roa h LYS 77 Cb 1.23 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2roa h LYS 77 CO 0.29 0.28 -0.13 0.38 -2.27 0.00 0.00 179.45 178.00 2roa h ASP 78 N 0.44 -0.31 0.00 4.20 2.03 -1.87 -3.50 116.42 117.41 2roa h ASP 78 Ca 0.15 -0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.25 2roa h ASP 78 Cb 0.00 0.08 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 2roa h ASP 78 CO -0.07 0.18 0.00 1.07 -1.03 0.00 0.00 179.24 179.39