#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5o n GLU 2 N 0.00 -5.61 -2.16 0.03 4.71 -1.26 -4.91 120.64 111.44 1a5o n GLU 2 Ca 0.00 0.83 -0.42 0.00 -0.01 0.00 0.00 57.16 57.55 1a5o n GLU 2 Cb 0.00 -5.78 -0.03 0.00 -1.01 0.00 0.00 31.44 24.63 1a5o n GLU 2 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1a5o s LEU 3 N -6.22 4.28 0.78 -4.62 1.43 -1.26 -5.01 118.68 108.06 1a5o s LEU 3 Ca 0.09 2.06 -0.12 0.00 -1.03 0.00 0.00 54.13 55.14 1a5o s LEU 3 Cb -0.01 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.73 1a5o s LEU 3 CO 0.74 -0.85 1.13 0.42 0.23 0.00 0.00 176.35 178.02 1a5o s THR 4 N 3.60 2.75 0.26 5.49 -4.23 -1.26 -4.89 115.64 117.36 1a5o s THR 4 Ca 0.66 0.24 -0.03 0.00 -1.18 0.00 0.00 61.69 61.39 1a5o s THR 4 Cb -0.30 -3.17 0.24 0.00 1.34 0.00 0.00 72.50 70.61 1a5o s THR 4 CO 0.25 -0.32 1.82 -0.65 -0.54 0.00 0.00 174.62 175.18 1a5o h PRO 5 N -0.96 0.84 -0.08 3.99 0.11 -2.00 -2.62 132.00 131.28 1a5o h PRO 5 Ca -0.46 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 1a5o h PRO 5 Cb 1.29 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1a5o h PRO 5 CO 0.63 0.56 -0.28 0.07 -0.21 0.00 0.00 178.00 178.78 1a5o h ARG 6 N 0.87 0.14 -0.02 1.05 0.11 -1.99 -0.89 114.38 113.64 1a5o h ARG 6 Ca 0.43 -0.04 -0.18 0.00 0.10 0.00 0.00 59.98 60.29 1a5o h ARG 6 Cb 0.39 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.45 1a5o h ARG 6 CO -0.25 0.41 -0.78 0.93 0.10 0.00 0.00 179.97 180.38 1a5o h GLU 7 N 0.12 0.20 -0.03 0.08 5.08 -1.85 -2.36 114.58 115.82 1a5o h GLU 7 Ca 0.02 -0.18 -0.18 0.00 -1.00 0.00 0.00 59.36 58.02 1a5o h GLU 7 Cb 0.56 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1a5o h GLU 7 CO 0.04 0.88 -0.77 0.87 -1.00 0.00 0.00 179.01 179.03 1a5o h LYS 8 N 0.12 0.24 -0.57 2.33 1.57 -1.12 -2.96 116.57 116.18 1a5o h LYS 8 Ca -0.03 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.44 1a5o h LYS 8 Cb 1.36 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.70 1a5o h LYS 8 CO 0.12 0.90 -0.03 0.22 -0.57 0.00 0.00 179.45 180.09 1a5o h ASP 9 N 0.15 1.01 0.49 0.86 3.58 -0.99 -2.48 116.42 119.03 1a5o h ASP 9 Ca -0.03 -0.32 -0.04 0.00 0.42 0.00 0.00 57.03 57.06 1a5o h ASP 9 Cb 1.35 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 42.12 1a5o h ASP 9 CO 0.12 1.09 -0.20 0.11 -2.88 0.00 0.00 179.24 177.48 1a5o h LYS 10 N 0.91 0.00 0.00 0.28 1.79 -1.39 -0.38 116.57 117.78 1a5o h LYS 10 Ca 0.16 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 1a5o h LYS 10 Cb 0.58 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1a5o h LYS 10 CO 0.03 0.20 -0.05 -0.07 -1.08 0.00 0.00 179.45 178.49 1a5o h LEU 11 N 0.00 0.00 0.04 2.94 3.38 -1.27 -0.43 115.31 119.96 1a5o h LEU 11 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a5o h LEU 11 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1a5o h LEU 11 CO 0.03 0.05 -0.02 0.25 0.09 0.00 0.00 178.44 178.83 1a5o h LEU 12 N 0.00 -0.04 -0.43 1.67 6.46 -1.07 -2.28 115.31 119.61 1a5o h LEU 12 Ca -0.00 -0.60 0.06 0.00 -0.12 0.00 0.00 57.88 57.22 1a5o h LEU 12 Cb 0.22 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.12 1a5o h LEU 12 CO 0.01 0.61 0.15 0.25 -0.62 0.00 0.00 178.44 178.83 1a5o h LEU 13 N -0.73 0.14 -0.20 2.25 5.85 -1.28 -0.62 115.31 120.73 1a5o h LEU 13 Ca -0.01 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1a5o h LEU 13 Cb 0.64 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 1a5o h LEU 13 CO 0.01 0.11 -0.09 0.15 -0.34 0.00 0.00 178.44 178.28 1a5o h PHE 14 N 0.31 -0.22 -0.32 1.25 3.57 -1.17 -0.91 116.94 119.46 1a5o h PHE 14 Ca 0.20 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 1a5o h PHE 14 Cb 0.20 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1a5o h PHE 14 CO -0.16 -0.15 -0.03 1.15 -2.23 0.00 0.00 178.31 176.89 1a5o h THR 15 N -0.07 1.20 -0.50 4.41 2.02 -1.01 -1.84 112.91 117.13 1a5o h THR 15 Ca 0.11 -0.82 -0.10 0.00 0.77 0.00 0.00 66.41 66.37 1a5o h THR 15 Cb 0.23 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 1a5o h THR 15 CO -0.24 0.28 -0.09 0.00 0.37 0.00 0.00 175.52 175.84 1a5o h ALA 16 N 1.50 0.91 -0.00 6.16 0.00 -0.66 -2.77 119.26 124.40 1a5o h ALA 16 Ca 0.10 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1a5o h ALA 16 Cb 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1a5o h ALA 16 CO 0.01 0.63 -0.36 0.00 0.00 0.00 0.00 179.25 179.54 1a5o h ALA 17 N 1.08 1.40 -0.23 0.00 0.00 -0.54 -2.57 119.26 118.40 1a5o h ALA 17 Ca 0.14 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1a5o h ALA 17 Cb 0.61 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1a5o h ALA 17 CO 0.04 0.45 -0.19 -0.07 0.00 0.00 0.00 179.25 179.48 1a5o h LEU 18 N 0.01 0.40 -0.04 0.00 3.38 -1.06 0.04 115.31 118.03 1a5o h LEU 18 Ca -0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1a5o h LEU 18 Cb 0.64 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1a5o h LEU 18 CO 0.05 0.61 -0.00 0.58 0.09 0.00 0.00 178.44 179.76 1a5o h VAL 19 N 0.37 1.26 -0.60 1.22 2.07 -1.39 -2.53 116.25 116.66 1a5o h VAL 19 Ca 0.06 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1a5o h VAL 19 Cb 0.55 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 1a5o h VAL 19 CO 0.04 0.21 0.20 0.00 0.02 0.00 0.00 177.57 178.04 1a5o h ALA 20 N 0.70 0.78 -0.97 1.67 0.00 -1.35 -2.49 119.26 117.60 1a5o h ALA 20 Ca 0.01 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1a5o h ALA 20 Cb 0.34 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1a5o h ALA 20 CO 0.00 0.43 0.64 1.49 0.00 0.00 0.00 179.25 181.81 1a5o h GLU 21 N 0.84 1.20 -0.23 0.00 4.81 -0.98 -0.89 114.58 119.33 1a5o h GLU 21 Ca 0.19 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 59.17 1a5o h GLU 21 Cb 0.26 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 1a5o h GLU 21 CO -0.01 0.80 -0.58 0.00 -0.73 0.00 0.00 179.01 178.49 1a5o h ARG 22 N 1.24 0.73 -0.50 1.92 3.08 -1.30 -2.88 114.38 116.68 1a5o h ARG 22 Ca 0.39 -0.48 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 1a5o h ARG 22 Cb -0.01 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1a5o h ARG 22 CO -0.12 1.11 0.00 0.00 -1.07 0.00 0.00 179.97 179.89 1a5o h ARG 23 N 0.55 0.87 -0.20 0.04 3.08 -0.98 -2.59 114.38 115.15 1a5o h ARG 23 Ca 0.00 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 59.73 1a5o h ARG 23 Cb 1.17 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1a5o h ARG 23 CO 0.12 0.91 -0.07 1.25 -1.07 0.00 0.00 179.97 181.10 1a5o h LEU 24 N 0.74 0.28 -0.96 3.04 5.85 -1.22 -1.89 115.31 121.15 1a5o h LEU 24 Ca 0.14 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 1a5o h LEU 24 Cb 0.51 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1a5o h LEU 24 CO 0.02 0.40 -0.30 0.00 -0.34 0.00 0.00 178.44 178.22 1a5o h ALA 25 N 1.64 1.12 0.00 1.25 0.00 -1.25 -1.11 119.26 120.90 1a5o h ALA 25 Ca 0.06 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1a5o h ALA 25 Cb 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1a5o h ALA 25 CO 0.02 0.56 0.00 0.54 0.00 0.00 0.00 179.25 180.36 1a5o n ARG 26 N -4.10 0.16 -0.68 0.00 1.74 -0.75 -4.91 116.66 108.12 1a5o n ARG 26 Ca -0.01 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1a5o n ARG 26 Cb 0.42 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1a5o n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a5o n GLY 27 N 0.66 0.97 3.88 -0.13 0.00 -0.42 -5.07 105.19 105.08 1a5o n GLY 27 Ca 0.04 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 1a5o n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a5o s LEU 28 N 0.00 3.73 -0.14 0.99 1.43 -0.96 -5.02 118.68 118.71 1a5o s LEU 28 Ca 0.00 1.10 -0.24 0.00 -1.03 0.00 0.00 54.13 53.96 1a5o s LEU 28 Cb 0.00 -4.02 -0.02 0.00 0.03 0.00 0.00 46.19 42.18 1a5o s LEU 28 CO 0.00 -0.48 0.78 -0.54 0.23 0.00 0.00 176.35 176.33 1a5o s LYS 29 N -4.19 4.32 0.60 1.70 1.02 -1.26 -4.53 119.74 117.40 1a5o s LYS 29 Ca 0.51 0.94 -0.17 0.00 0.02 0.00 0.00 55.97 57.26 1a5o s LYS 29 Cb -0.10 -3.54 -0.03 0.00 -0.52 0.00 0.00 37.83 33.63 1a5o s LYS 29 CO 0.37 -0.21 1.10 -0.51 -0.92 0.00 0.00 175.35 175.17 1a5o s LEU 30 N 1.76 3.56 0.00 3.17 1.43 -0.25 -4.47 118.68 123.88 1a5o s LEU 30 Ca 0.37 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.48 1a5o s LEU 30 Cb -0.17 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.49 1a5o s LEU 30 CO 0.14 -1.34 0.00 -0.46 0.23 0.00 0.00 176.35 174.92 1a5o n ASN 31 N -1.87 0.00 0.21 2.29 0.23 -1.26 -0.13 115.26 114.73 1a5o n ASN 31 Ca 0.10 -0.52 -0.08 0.00 -0.53 0.00 0.00 54.58 53.55 1a5o n ASN 31 Cb 0.52 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.18 1a5o n ASN 31 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1a5o h TYR 32 N -0.07 -0.50 -0.80 -2.53 3.20 -1.96 -2.09 116.97 112.22 1a5o h TYR 32 Ca 0.00 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.91 1a5o h TYR 32 Cb 0.00 0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.38 1a5o h TYR 32 CO 0.00 -0.31 0.48 -1.00 -1.64 0.00 0.00 178.16 175.69 1a5o h PRO 33 N -0.62 0.87 -0.56 1.82 0.13 -2.00 -2.13 132.00 129.51 1a5o h PRO 33 Ca -0.06 -0.05 0.06 0.00 -0.87 0.00 0.00 66.00 65.09 1a5o h PRO 33 Cb 0.42 -0.20 -0.06 0.00 0.13 0.00 0.00 31.00 31.30 1a5o h PRO 33 CO 0.09 0.57 0.25 0.93 -0.23 0.00 0.00 178.00 179.62 1a5o h GLU 34 N 0.89 0.46 0.76 0.86 5.08 -1.94 -1.21 114.58 119.49 1a5o h GLU 34 Ca 0.35 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.64 1a5o h GLU 34 Cb 0.15 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1a5o h GLU 34 CO -0.17 0.30 -0.42 0.77 -1.00 0.00 0.00 179.01 178.50 1a5o h SER 35 N 0.47 -1.04 -0.68 1.42 0.02 -0.72 -1.67 113.55 111.35 1a5o h SER 35 Ca 0.26 0.05 0.13 0.00 -0.84 0.00 0.00 61.79 61.39 1a5o h SER 35 Cb 0.23 0.29 -0.09 0.00 0.14 0.00 0.00 62.40 62.97 1a5o h SER 35 CO -0.22 -0.68 0.22 0.58 -1.14 0.00 0.00 176.83 175.59 1a5o h VAL 36 N -1.10 0.64 -0.50 2.27 2.07 -1.26 -1.78 116.25 116.59 1a5o h VAL 36 Ca -0.10 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1a5o h VAL 36 Cb 0.87 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1a5o h VAL 36 CO 0.13 0.06 0.31 0.00 0.02 0.00 0.00 177.57 178.10 1a5o h ALA 37 N 1.52 0.64 -0.27 1.67 0.00 -1.12 -0.64 119.26 121.06 1a5o h ALA 37 Ca 0.37 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 1a5o h ALA 37 Cb 0.56 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1a5o h ALA 37 CO -0.41 0.11 0.02 1.25 0.00 0.00 0.00 179.25 180.23 1a5o h LEU 38 N 0.68 0.44 -0.45 0.00 5.85 -0.54 -1.96 115.31 119.33 1a5o h LEU 38 Ca 0.18 -0.29 -0.17 0.00 0.84 0.00 0.00 57.88 58.44 1a5o h LEU 38 Cb -0.03 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1a5o h LEU 38 CO -0.04 0.62 -0.68 0.40 -0.34 0.00 0.00 178.44 178.40 1a5o h ILE 39 N 0.25 1.37 -0.74 4.05 2.04 -1.36 -2.71 117.51 120.41 1a5o h ILE 39 Ca 0.08 -2.05 -0.06 0.00 1.00 0.00 0.00 64.86 63.83 1a5o h ILE 39 Cb 0.38 2.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 1a5o h ILE 39 CO 0.01 0.62 0.22 0.28 0.00 0.00 0.00 178.15 179.28 1a5o h SER 40 N 0.30 1.09 0.57 1.72 0.02 -1.05 -2.43 113.55 113.76 1a5o h SER 40 Ca -0.02 -0.21 -0.13 0.00 -0.84 0.00 0.00 61.79 60.58 1a5o h SER 40 Cb 1.24 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 1a5o h SER 40 CO 0.12 1.02 -0.61 0.00 -1.14 0.00 0.00 176.83 176.21 1a5o h ALA 41 N 1.12 0.96 0.10 3.77 0.00 -1.37 -2.77 119.26 121.07 1a5o h ALA 41 Ca 0.24 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1a5o h ALA 41 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1a5o h ALA 41 CO -0.00 0.76 -0.11 0.35 0.00 0.00 0.00 179.25 180.24 1a5o h PHE 42 N 0.03 -0.30 -0.74 0.00 3.57 -1.11 -2.36 116.94 116.04 1a5o h PHE 42 Ca -0.01 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1a5o h PHE 42 Cb 1.09 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.91 1a5o h PHE 42 CO 0.00 -0.18 0.48 0.82 -2.23 0.00 0.00 178.31 177.20 1a5o h ILE 43 N -0.25 1.14 -0.58 1.41 2.04 -1.38 -1.36 117.51 118.54 1a5o h ILE 43 Ca 0.01 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.56 1a5o h ILE 43 Cb 0.24 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1a5o h ILE 43 CO -0.04 0.17 0.36 0.24 0.00 0.00 0.00 178.15 178.88 1a5o h MET 44 N 0.95 0.71 0.00 2.37 2.86 -1.22 0.11 114.93 120.71 1a5o h MET 44 Ca 0.28 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.83 1a5o h MET 44 Cb -0.04 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 1a5o h MET 44 CO -0.09 0.47 -0.23 0.93 1.06 0.00 0.00 176.91 179.05 1a5o h GLU 45 N 0.73 0.00 -0.30 1.72 4.39 -1.05 -1.53 114.58 118.54 1a5o h GLU 45 Ca 0.22 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 1a5o h GLU 45 Cb -0.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1a5o h GLU 45 CO -0.08 0.23 0.14 0.78 -1.16 0.00 0.00 179.01 178.93 1a5o h GLY 46 N 0.98 0.47 1.27 -3.84 0.00 0.13 -2.06 103.07 100.03 1a5o h GLY 46 Ca -0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 1a5o h GLY 46 CO 0.03 0.23 -0.13 0.00 0.00 0.00 0.00 176.54 176.66 1a5o h ALA 47 N 1.00 0.90 -0.79 3.60 0.00 -0.62 -1.69 119.26 121.65 1a5o h ALA 47 Ca 0.10 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1a5o h ALA 47 Cb 0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1a5o h ALA 47 CO -0.01 0.63 0.52 -0.09 0.00 0.00 0.00 179.25 180.30 1a5o h ARG 48 N 0.76 0.96 0.00 0.00 9.65 -1.07 0.17 114.38 124.85 1a5o h ARG 48 Ca 0.12 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1a5o h ARG 48 Cb 0.65 -0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 29.01 1a5o h ARG 48 CO 0.05 0.63 -0.01 -0.44 2.80 0.00 0.00 179.97 183.00 1a5o h ASP 49 N 0.99 0.00 0.00 -3.80 3.32 -1.09 -3.47 116.42 112.37 1a5o h ASP 49 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1a5o h ASP 49 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1a5o h ASP 49 CO -0.09 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.05 1a5o n GLY 50 N 0.27 0.93 3.80 2.75 0.00 0.05 -5.08 105.19 107.91 1a5o n GLY 50 Ca 0.01 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1a5o n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5o s LYS 51 N -0.27 3.48 0.66 1.61 1.02 -0.68 -4.95 119.74 120.62 1a5o s LYS 51 Ca 0.00 1.24 -0.11 0.00 0.02 0.00 0.00 55.97 57.13 1a5o s LYS 51 Cb 0.00 -2.05 -0.01 0.00 -0.52 0.00 0.00 37.83 35.25 1a5o s LYS 51 CO 0.00 -0.68 1.05 -1.54 -0.92 0.00 0.00 175.35 173.26 1a5o s SER 52 N -2.56 5.77 0.12 2.83 1.04 -1.26 -4.56 113.70 115.07 1a5o s SER 52 Ca 0.65 1.20 -0.24 0.00 0.48 0.00 0.00 55.95 58.04 1a5o s SER 52 Cb -0.16 -2.12 -0.06 0.00 0.10 0.00 0.00 66.02 63.78 1a5o s SER 52 CO 0.32 -1.13 1.66 0.58 0.98 0.00 0.00 173.24 175.66 1a5o h VAL 53 N -0.47 0.57 -0.97 5.02 2.07 -1.96 -2.52 116.25 117.99 1a5o h VAL 53 Ca -0.45 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.20 1a5o h VAL 53 Cb 1.23 0.57 -0.09 0.00 -1.52 0.00 0.00 31.29 31.49 1a5o h VAL 53 CO 0.63 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.81 1a5o h ALA 54 N 0.65 1.47 -0.16 1.67 0.00 -1.98 -1.19 119.26 119.72 1a5o h ALA 54 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1a5o h ALA 54 Cb 0.36 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1a5o h ALA 54 CO -0.17 0.15 0.02 0.77 0.00 0.00 0.00 179.25 180.02 1a5o h SER 55 N 0.91 0.25 -0.51 0.00 0.02 -1.86 -3.16 113.55 109.20 1a5o h SER 55 Ca 0.49 -0.26 -0.05 0.00 -0.84 0.00 0.00 61.79 61.13 1a5o h SER 55 Cb 0.53 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 1a5o h SER 55 CO -0.29 0.45 0.14 -0.07 -1.14 0.00 0.00 176.83 175.92 1a5o h LEU 56 N 0.04 0.81 -2.10 5.07 3.38 -1.01 -1.10 115.31 120.40 1a5o h LEU 56 Ca 0.05 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 57.95 1a5o h LEU 56 Cb 0.30 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1a5o h LEU 56 CO 0.00 0.79 0.24 0.24 0.09 0.00 0.00 178.44 179.81 1a5o h MET 57 N 0.83 0.00 0.00 1.13 2.86 -1.20 0.23 114.93 118.78 1a5o h MET 57 Ca 0.18 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.74 1a5o h MET 57 Cb 0.30 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1a5o h MET 57 CO -0.00 0.00 -0.67 1.49 1.06 0.00 0.00 176.91 178.78 1a5o h GLU 58 N 0.00 0.00 -0.28 1.72 4.57 -1.46 -3.39 114.58 115.75 1a5o h GLU 58 Ca 0.13 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.39 1a5o h GLU 58 Cb 0.61 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 1a5o h GLU 58 CO -0.00 0.43 0.22 0.93 -1.18 0.00 0.00 179.01 179.41 1a5o h GLU 59 N -1.00 0.00 0.00 1.92 5.08 -0.90 -1.23 114.58 118.45 1a5o h GLU 59 Ca -0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1a5o h GLU 59 Cb 0.77 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1a5o h GLU 59 CO -0.07 0.00 -0.02 0.78 -1.00 0.00 0.00 179.01 178.69 1a5o h GLY 60 N 0.00 0.00 -0.51 -3.84 0.00 -0.74 -1.63 103.07 96.36 1a5o h GLY 60 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1a5o h GLY 60 CO -0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 1a5o n ARG 61 N -3.46 1.57 -0.47 4.80 1.74 -0.46 -3.86 116.66 116.51 1a5o n ARG 61 Ca -0.03 -0.85 0.07 0.00 -0.77 0.00 0.00 57.85 56.27 1a5o n ARG 61 Cb 0.12 -1.37 0.14 0.00 -1.02 0.00 0.00 32.46 30.33 1a5o n ARG 61 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1a5o n HIS 62 N 0.07 0.00 -0.03 -1.55 8.25 -0.61 -4.71 115.22 116.63 1a5o n HIS 62 Ca 0.16 -1.06 -0.21 0.00 -0.26 0.00 0.00 57.72 56.35 1a5o n HIS 62 Cb 0.27 -0.18 -0.13 0.00 1.12 0.00 0.00 29.99 31.07 1a5o n HIS 62 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1a5o h VAL 63 N 1.77 0.99 -4.03 1.59 2.07 -1.68 -3.47 116.25 113.49 1a5o h VAL 63 Ca -0.02 -2.32 -0.43 0.00 0.82 0.00 0.00 66.70 64.75 1a5o h VAL 63 Cb 1.13 2.58 -0.24 0.00 -1.52 0.00 0.00 31.29 33.23 1a5o h VAL 63 CO 0.01 0.60 -0.79 -0.76 0.02 0.00 0.00 177.57 176.66 1a5o s LEU 64 N -7.62 2.18 0.38 2.57 1.43 -1.26 -5.11 118.68 111.25 1a5o s LEU 64 Ca -0.23 -0.47 0.08 0.00 -1.03 0.00 0.00 54.13 52.48 1a5o s LEU 64 Cb 0.05 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.65 1a5o s LEU 64 CO 0.71 0.02 0.20 0.42 0.23 0.00 0.00 176.35 177.92 1a5o s THR 65 N -0.89 2.75 0.52 5.49 -4.23 -1.26 -4.34 115.64 113.68 1a5o s THR 65 Ca 0.01 -1.63 0.22 0.00 -1.18 0.00 0.00 61.69 59.12 1a5o s THR 65 Cb -0.08 -2.99 0.37 0.00 1.34 0.00 0.00 72.50 71.14 1a5o s THR 65 CO 0.01 -0.09 2.02 -0.09 -0.54 0.00 0.00 174.62 175.93 1a5o h ARG 66 N 1.41 0.04 -0.01 3.99 2.43 -1.90 -0.16 114.38 120.19 1a5o h ARG 66 Ca -0.43 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1a5o h ARG 66 Cb 1.25 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1a5o h ARG 66 CO 0.64 0.03 0.00 -0.85 -1.51 0.00 0.00 179.97 178.28 1a5o n GLU 67 N -4.42 1.17 0.00 0.20 0.00 -1.26 -3.41 120.64 112.92 1a5o n GLU 67 Ca 0.08 -0.24 0.07 0.00 0.00 0.00 0.00 57.16 57.06 1a5o n GLU 67 Cb 0.50 -1.48 0.00 0.00 0.00 0.00 0.00 31.44 30.46 1a5o n GLU 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1a5o n GLN 68 N -0.69 1.74 -4.42 3.44 6.02 -0.07 -4.97 117.38 118.43 1a5o n GLN 68 Ca 0.22 -0.79 -0.22 0.00 -0.01 0.00 0.00 57.00 56.20 1a5o n GLN 68 Cb 0.17 -1.22 -0.10 0.00 1.02 0.00 0.00 30.24 30.10 1a5o n GLN 68 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1a5o s VAL 69 N -1.70 2.17 0.85 5.09 -7.23 -1.22 -1.10 120.40 117.26 1a5o s VAL 69 Ca 0.12 -2.33 -0.10 0.00 -1.81 0.00 0.00 61.98 57.86 1a5o s VAL 69 Cb 0.12 -2.19 0.10 0.00 0.56 0.00 0.00 36.38 34.97 1a5o s VAL 69 CO 0.35 -0.48 1.12 -0.04 -0.31 0.00 0.00 175.10 175.74 1a5o s MET 70 N -3.56 1.59 0.36 4.82 -1.94 0.81 -4.75 119.30 116.62 1a5o s MET 70 Ca 0.27 1.39 -0.28 0.00 -1.71 0.00 0.00 55.69 55.36 1a5o s MET 70 Cb -0.03 -1.80 -0.11 0.00 2.01 0.00 0.00 34.83 34.89 1a5o s MET 70 CO 0.12 -2.18 1.49 -1.91 -0.01 0.00 0.00 175.02 172.52 1a5o n GLU 71 N -3.88 2.62 0.00 2.03 2.13 -1.26 -2.13 120.64 120.15 1a5o n GLU 71 Ca 0.11 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.85 1a5o n GLU 71 Cb 0.52 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.59 1a5o n GLU 71 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a5o n GLY 72 N 0.84 2.97 0.22 8.31 0.00 -1.26 -4.91 105.19 111.35 1a5o n GLY 72 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 1a5o n GLY 72 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1a5o h VAL 73 N 0.00 1.15 -0.39 1.61 2.07 -1.79 -2.63 116.25 116.27 1a5o h VAL 73 Ca 0.00 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.23 1a5o h VAL 73 Cb 0.00 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1a5o h VAL 73 CO 0.00 0.15 0.26 -0.65 0.02 0.00 0.00 177.57 177.34 1a5o h PRO 74 N 0.70 0.45 0.00 1.57 0.11 -1.91 -1.09 132.00 131.84 1a5o h PRO 74 Ca 0.19 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1a5o h PRO 74 Cb -0.04 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 30.97 1a5o h PRO 74 CO -0.04 0.30 -0.02 0.93 -0.21 0.00 0.00 178.00 178.96 1a5o h GLU 75 N 0.47 0.00 0.00 1.05 3.07 -1.88 -3.03 114.58 114.26 1a5o h GLU 75 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 1a5o h GLU 75 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1a5o h GLU 75 CO -0.03 0.00 0.00 -1.33 -1.40 0.00 0.00 179.01 176.25 1a5o n MET 76 N -2.94 0.15 -3.69 2.33 2.81 -0.43 -4.38 117.12 110.97 1a5o n MET 76 Ca 0.04 0.01 -0.28 0.00 -1.81 0.00 0.00 57.70 55.66 1a5o n MET 76 Cb 0.51 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.41 1a5o n MET 76 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1a5o s ILE 77 N -2.84 1.64 0.31 2.02 1.01 -1.11 -4.96 121.20 117.28 1a5o s ILE 77 Ca 0.19 -3.22 0.28 0.00 0.00 0.00 0.00 60.65 57.90 1a5o s ILE 77 Cb 0.19 -2.11 0.29 0.00 0.01 0.00 0.00 42.46 40.84 1a5o s ILE 77 CO 0.49 -1.04 2.00 1.55 0.00 0.00 0.00 174.94 177.95 1a5o h PRO 78 N 5.92 0.00 -2.11 2.79 0.13 -1.77 -3.40 132.00 133.55 1a5o h PRO 78 Ca 0.13 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.42 1a5o h PRO 78 Cb 0.86 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.85 1a5o h PRO 78 CO 0.54 0.14 0.56 0.16 -0.23 0.00 0.00 178.00 179.17 1a5o s ASP 79 N -6.06 -0.27 -0.01 1.44 1.47 -1.26 0.20 116.67 112.17 1a5o s ASP 79 Ca -0.02 -0.10 0.03 0.00 1.18 0.00 0.00 52.55 53.64 1a5o s ASP 79 Cb 0.12 0.36 -0.00 0.00 -0.34 0.00 0.00 42.92 43.05 1a5o s ASP 79 CO 0.59 -0.60 -0.10 -0.63 0.68 0.00 0.00 175.17 175.10 1a5o s ILE 80 N -3.00 0.80 -0.01 2.11 1.01 0.49 -4.93 121.20 117.67 1a5o s ILE 80 Ca 0.08 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1a5o s ILE 80 Cb -0.01 -0.68 -0.00 0.00 0.01 0.00 0.00 42.46 41.78 1a5o s ILE 80 CO -0.05 0.23 -0.08 -1.10 0.00 0.00 0.00 174.94 173.94 1a5o s GLN 81 N -0.08 0.70 -0.11 2.79 -0.21 -1.26 -0.69 119.66 120.81 1a5o s GLN 81 Ca 0.01 -0.28 -0.23 0.00 0.02 0.00 0.00 55.36 54.89 1a5o s GLN 81 Cb -0.06 -0.68 0.05 0.00 1.00 0.00 0.00 33.01 33.33 1a5o s GLN 81 CO -0.00 0.15 0.55 0.54 -2.12 0.00 0.00 175.29 174.40 1a5o s VAL 82 N -0.06 0.01 0.03 1.09 0.11 -1.07 -5.01 120.40 115.51 1a5o s VAL 82 Ca 0.01 -0.11 0.06 0.00 -2.93 0.00 0.00 61.98 59.01 1a5o s VAL 82 Cb -0.05 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 1a5o s VAL 82 CO -0.00 -0.06 -0.17 -1.61 -3.33 0.00 0.00 175.10 169.93 1a5o s GLU 83 N -0.63 2.15 0.14 1.54 2.02 -1.26 -1.50 118.70 121.16 1a5o s GLU 83 Ca -0.07 -0.93 -0.12 0.00 0.02 0.00 0.00 54.97 53.86 1a5o s GLU 83 Cb -0.03 -2.23 0.01 0.00 0.10 0.00 0.00 34.13 31.98 1a5o s GLU 83 CO 0.05 0.55 0.33 0.00 0.02 0.00 0.00 175.26 176.22 1a5o s ALA 84 N -0.92 -0.45 -0.52 5.21 0.00 -1.16 -4.97 121.76 118.95 1a5o s ALA 84 Ca 0.15 -0.50 -0.26 0.00 0.00 0.00 0.00 51.96 51.35 1a5o s ALA 84 Cb -0.11 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.78 1a5o s ALA 84 CO 0.05 -0.64 1.00 0.99 0.00 0.00 0.00 175.76 177.16 1a5o s THR 85 N -3.89 4.33 0.72 0.00 2.01 -1.26 -2.32 115.64 115.23 1a5o s THR 85 Ca 0.09 0.61 -0.04 0.00 0.31 0.00 0.00 61.69 62.66 1a5o s THR 85 Cb 0.03 -4.55 0.10 0.00 0.01 0.00 0.00 72.50 68.08 1a5o s THR 85 CO -0.06 -1.07 1.00 -0.36 -0.69 0.00 0.00 174.62 173.45 1a5o s PHE 86 N 4.12 2.28 0.53 4.92 0.40 -0.29 -4.41 117.98 125.54 1a5o s PHE 86 Ca 0.36 0.10 0.23 0.00 -0.60 0.00 0.00 56.93 57.02 1a5o s PHE 86 Cb -0.10 -3.17 1.38 0.00 0.51 0.00 0.00 43.02 41.64 1a5o s PHE 86 CO 0.24 -1.58 2.05 -1.35 0.70 0.00 0.00 175.22 175.28 1a5o h PRO 87 N -0.59 0.00 -1.08 0.24 0.11 -1.93 -1.22 132.00 127.53 1a5o h PRO 87 Ca -0.41 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.03 1a5o h PRO 87 Cb 1.29 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.09 1a5o h PRO 87 CO 0.49 0.00 0.64 -0.40 -0.21 0.00 0.00 178.00 178.52 1a5o n ASP 88 N -4.37 7.26 0.00 -2.05 5.75 -1.26 -5.06 116.55 116.82 1a5o n ASP 88 Ca 0.05 -3.79 0.00 0.00 -0.01 0.00 0.00 54.79 51.04 1a5o n ASP 88 Cb 0.41 -0.89 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 1a5o n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a5o n GLY 89 N -0.84 -2.44 3.76 6.12 0.00 -0.46 -4.93 105.19 106.39 1a5o n GLY 89 Ca 0.59 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 1a5o n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5o s SER 90 N -2.40 6.47 0.02 1.61 0.01 -1.26 -1.14 113.70 117.00 1a5o s SER 90 Ca 0.00 2.89 -0.07 0.00 1.31 0.00 0.00 55.95 60.08 1a5o s SER 90 Cb 0.00 -2.64 -0.00 0.00 0.21 0.00 0.00 66.02 63.59 1a5o s SER 90 CO 0.00 -0.82 0.13 -0.54 0.41 0.00 0.00 173.24 172.43 1a5o s LYS 91 N -1.01 0.54 -0.18 12.44 -0.14 -0.98 -4.92 119.74 125.48 1a5o s LYS 91 Ca 0.58 -0.51 -0.11 0.00 -1.36 0.00 0.00 55.97 54.57 1a5o s LYS 91 Cb -0.45 0.22 -0.05 0.00 -1.68 0.00 0.00 37.83 35.87 1a5o s LYS 91 CO 0.51 -0.13 0.17 -1.17 -0.76 0.00 0.00 175.35 173.97 1a5o s LEU 92 N -1.65 4.23 -0.18 3.17 2.96 -1.26 -2.99 118.68 122.96 1a5o s LEU 92 Ca -0.11 0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 54.08 1a5o s LEU 92 Cb -0.05 -2.15 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 1a5o s LEU 92 CO -0.00 0.18 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.44 1a5o s VAL 93 N 0.27 3.33 -0.17 1.68 1.01 -0.56 -5.01 120.40 120.95 1a5o s VAL 93 Ca 0.10 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1a5o s VAL 93 Cb -0.12 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.80 1a5o s VAL 93 CO -0.00 0.47 -0.13 -0.89 0.00 0.00 0.00 175.10 174.55 1a5o s THR 94 N 0.89 2.83 -0.25 3.92 2.01 -1.26 -2.58 115.64 121.20 1a5o s THR 94 Ca -0.02 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 1a5o s THR 94 Cb -0.15 -2.21 0.02 0.00 0.01 0.00 0.00 72.50 70.17 1a5o s THR 94 CO 0.01 0.50 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.70 1a5o s VAL 95 N 0.92 2.98 0.01 3.82 1.01 0.13 -4.74 120.40 124.52 1a5o s VAL 95 Ca -0.03 -0.99 -0.21 0.00 0.00 0.00 0.00 61.98 60.76 1a5o s VAL 95 Cb -0.15 -2.51 -0.06 0.00 0.00 0.00 0.00 36.38 33.66 1a5o s VAL 95 CO -0.01 0.19 0.61 -1.00 0.00 0.00 0.00 175.10 174.89 1a5o s HIS 96 N 1.34 3.70 -1.20 5.22 3.76 -1.26 -0.38 115.29 126.47 1a5o s HIS 96 Ca 0.00 1.24 -0.24 0.00 -0.15 0.00 0.00 55.06 55.91 1a5o s HIS 96 Cb -0.17 -2.62 0.01 0.00 1.11 0.00 0.00 32.58 30.92 1a5o s HIS 96 CO -0.04 0.37 0.69 0.09 -0.85 0.00 0.00 174.74 175.01 1a5o n ASN 97 N 2.62 -4.24 -0.33 1.40 3.02 0.13 -4.86 115.26 113.00 1a5o n ASN 97 Ca -0.07 -1.13 0.09 0.00 -0.03 0.00 0.00 54.58 53.44 1a5o n ASN 97 Cb 0.51 -2.67 0.29 0.00 -0.61 0.00 0.00 39.78 37.29 1a5o n ASN 97 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1a5o h PRO 98 N -2.16 0.87 -5.11 3.52 0.13 -1.77 -3.40 132.00 124.07 1a5o h PRO 98 Ca -0.68 -0.05 -0.62 0.00 -0.87 0.00 0.00 66.00 63.77 1a5o h PRO 98 Cb 1.38 -0.20 -0.16 0.00 0.13 0.00 0.00 31.00 32.15 1a5o h PRO 98 CO 0.52 0.57 -0.54 0.42 -0.23 0.00 0.00 178.00 178.74 1a5o s ILE 99 N -5.86 5.07 0.00 -3.56 1.01 -1.26 -4.32 121.20 112.28 1a5o s ILE 99 Ca -0.11 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.61 1a5o s ILE 99 Cb 0.22 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 39.34 1a5o s ILE 99 CO 0.80 0.37 0.11 -0.38 0.00 0.00 0.00 174.94 175.84