#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otl s ASP 2 N 0.00 4.05 -0.08 3.42 2.15 -1.26 -4.99 116.67 119.96 2otl s ASP 2 Ca 0.00 -1.82 0.14 0.00 0.43 0.00 0.00 52.55 51.31 2otl s ASP 2 Cb 0.00 -0.95 0.54 0.00 -0.30 0.00 0.00 42.92 42.21 2otl s ASP 2 CO 0.00 -0.39 1.42 0.18 -0.17 0.00 0.00 175.17 176.21 2otl n LEU 3 N 4.62 3.64 0.21 -1.34 4.77 -1.26 -4.47 117.00 123.17 2otl n LEU 3 Ca 0.00 -1.84 0.06 0.00 -0.03 0.00 0.00 56.01 54.20 2otl n LEU 3 Cb 0.41 -0.49 0.54 0.00 -2.33 0.00 0.00 43.42 41.56 2otl n LEU 3 CO 0.14 0.65 1.00 0.77 -1.33 0.00 0.00 177.39 178.62 2otl h SER 4 N 3.13 0.07 0.02 -1.43 4.64 -2.00 -1.67 113.55 116.32 2otl h SER 4 Ca 0.00 -0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.12 2otl h SER 4 Cb 1.11 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2otl h SER 4 CO 0.16 0.14 -0.70 0.00 -0.87 0.00 0.00 176.83 175.56 2otl h ALA 5 N 1.87 0.51 -0.54 5.18 0.00 -2.01 -3.02 119.26 121.25 2otl h ALA 5 Ca 0.02 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 2otl h ALA 5 Cb 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2otl h ALA 5 CO 0.01 0.71 0.19 1.96 0.00 0.00 0.00 179.25 182.13 2otl h GLN 6 N 0.43 0.81 -0.95 0.00 7.50 -1.74 -2.21 115.11 118.96 2otl h GLN 6 Ca -0.03 -0.16 0.13 0.00 0.50 0.00 0.00 58.65 59.09 2otl h GLN 6 Cb 1.29 -0.13 -0.08 0.00 0.05 0.00 0.00 27.48 28.61 2otl h GLN 6 CO 0.13 0.73 0.61 0.87 -1.50 0.00 0.00 178.83 179.67 2otl h LYS 7 N 0.73 0.85 -0.20 1.46 1.79 -1.26 0.51 116.57 120.44 2otl h LYS 7 Ca 0.18 -0.05 -0.19 0.00 -2.18 0.00 0.00 60.65 58.41 2otl h LYS 7 Cb 0.23 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2otl h LYS 7 CO -0.01 0.56 -0.62 -0.09 -1.08 0.00 0.00 179.45 178.21 2otl h ARG 8 N 0.87 0.70 -0.29 3.15 2.43 -1.36 -2.26 114.38 117.63 2otl h ARG 8 Ca 0.47 -0.48 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 2otl h ARG 8 Cb 0.57 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 2otl h ARG 8 CO -0.24 1.11 -0.15 -0.07 -1.51 0.00 0.00 179.97 179.11 2otl h LEU 9 N 0.52 0.63 -0.42 3.80 3.38 -0.45 -2.81 115.31 119.96 2otl h LEU 9 Ca -0.01 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.57 2otl h LEU 9 Cb 1.21 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 2otl h LEU 9 CO 0.12 0.90 0.24 0.00 0.09 0.00 0.00 178.44 179.80 2otl h ALA 10 N 0.75 0.53 -0.43 1.53 0.00 -0.09 -1.28 119.26 120.27 2otl h ALA 10 Ca 0.06 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2otl h ALA 10 Cb 0.67 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2otl h ALA 10 CO 0.04 -0.09 0.29 0.00 0.00 0.00 0.00 179.25 179.50 2otl h ALA 11 N 1.19 2.03 0.09 0.00 0.00 -1.34 0.15 119.26 121.38 2otl h ALA 11 Ca 0.17 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2otl h ALA 11 Cb 0.02 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.76 2otl h ALA 11 CO -0.08 -0.12 -0.54 0.22 0.00 0.00 0.00 179.25 178.73 2otl h ASP 12 N 0.29 0.31 0.00 0.00 1.82 -1.10 0.42 116.42 118.16 2otl h ASP 12 Ca 0.19 -0.96 -0.00 0.00 -0.39 0.00 0.00 57.03 55.87 2otl h ASP 12 Cb 0.39 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.30 2otl h ASP 12 CO -0.04 1.26 -0.00 1.62 -1.61 0.00 0.00 179.24 180.46 2otl h VAL 13 N -0.57 1.18 0.00 2.25 3.04 -0.91 -2.20 116.25 119.03 2otl h VAL 13 Ca -0.09 -0.53 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 2otl h VAL 13 Cb 1.42 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 32.24 2otl h VAL 13 CO 0.10 0.14 0.00 0.18 -1.01 0.00 0.00 177.57 176.98 2otl n LEU 14 N -4.98 0.23 -3.33 3.16 4.77 0.48 -4.91 117.00 112.41 2otl n LEU 14 Ca -0.08 0.56 -0.13 0.00 -0.03 0.00 0.00 56.01 56.33 2otl n LEU 14 Cb 0.13 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 2otl n LEU 14 CO 0.33 -0.36 0.05 -0.67 -1.33 0.00 0.00 177.39 175.42 2otl n ASP 15 N -1.75 -6.58 -3.45 -1.43 -0.08 -0.83 -5.01 116.55 97.41 2otl n ASP 15 Ca 0.03 -0.32 -0.12 0.00 -1.51 0.00 0.00 54.79 52.87 2otl n ASP 15 Cb 0.19 -3.72 -0.02 0.00 2.34 0.00 0.00 41.12 39.91 2otl n ASP 15 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2otl s VAL 16 N -2.81 0.00 0.35 5.18 0.11 0.09 -5.02 120.40 118.29 2otl s VAL 16 Ca 0.06 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.83 2otl s VAL 16 Cb -0.01 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.73 2otl s VAL 16 CO 0.82 0.00 1.50 -0.83 -3.33 0.00 0.00 175.10 173.25 2otl s GLY 17 N -2.48 2.70 0.38 6.54 0.00 -1.26 -4.54 107.32 108.66 2otl s GLY 17 Ca 0.01 1.54 0.17 0.00 0.00 0.00 0.00 44.72 46.44 2otl s GLY 17 CO -0.09 2.31 1.75 0.50 0.00 0.00 0.00 173.10 177.57 2otl h LYS 18 N 3.60 0.40 0.00 2.90 1.57 -1.89 0.66 116.57 123.82 2otl h LYS 18 Ca -0.49 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 2otl h LYS 18 Cb 1.23 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2otl h LYS 18 CO 0.69 0.27 0.00 0.09 -0.57 0.00 0.00 179.45 179.92 2otl n ASN 19 N -4.70 0.00 0.00 0.86 3.02 -1.26 -2.39 115.26 110.78 2otl n ASN 19 Ca 0.27 0.20 0.11 0.00 -0.03 0.00 0.00 54.58 55.12 2otl n ASN 19 Cb 0.89 -0.36 -0.11 0.00 -0.61 0.00 0.00 39.78 39.59 2otl n ASN 19 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2otl n ARG 20 N -1.36 0.23 -2.59 3.52 1.74 0.22 -4.92 116.66 113.50 2otl n ARG 20 Ca 0.07 -0.06 -0.41 0.00 -0.77 0.00 0.00 57.85 56.68 2otl n ARG 20 Cb 0.16 -1.52 -0.04 0.00 -1.02 0.00 0.00 32.46 30.05 2otl n ARG 20 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2otl s VAL 21 N -3.18 4.18 -0.01 1.55 -7.23 -1.01 -0.62 120.40 114.08 2otl s VAL 21 Ca 0.03 1.78 0.06 0.00 -1.81 0.00 0.00 61.98 62.04 2otl s VAL 21 Cb 0.15 -4.14 -0.03 0.00 0.56 0.00 0.00 36.38 32.93 2otl s VAL 21 CO 0.87 0.26 -0.17 0.86 -0.31 0.00 0.00 175.10 176.61 2otl s TRP 22 N 0.10 2.59 -0.08 2.82 -0.00 0.11 -4.94 118.94 119.55 2otl s TRP 22 Ca 0.50 -0.24 0.05 0.00 -0.00 0.00 0.00 56.10 56.41 2otl s TRP 22 Cb -0.27 -1.55 -0.01 0.00 -0.00 0.00 0.00 33.47 31.65 2otl s TRP 22 CO 0.32 0.18 -0.23 -0.06 -0.00 0.00 0.00 176.95 177.16 2otl s PHE 23 N -0.79 2.53 -0.06 5.86 0.08 -1.26 -1.74 117.98 122.60 2otl s PHE 23 Ca 0.12 -0.80 -0.30 0.00 0.12 0.00 0.00 56.93 56.08 2otl s PHE 23 Cb -0.10 -1.66 -0.06 0.00 -0.57 0.00 0.00 43.02 40.63 2otl s PHE 23 CO 0.02 -0.26 1.67 1.21 -0.10 0.00 0.00 175.22 177.76 2otl s ASN 24 N 0.02 6.64 0.45 1.36 3.84 -0.80 -4.87 114.94 121.59 2otl s ASN 24 Ca -0.09 2.23 0.20 0.00 0.21 0.00 0.00 52.86 55.41 2otl s ASN 24 Cb -0.15 -2.53 1.07 0.00 -0.55 0.00 0.00 41.25 39.08 2otl s ASN 24 CO 0.05 -0.95 1.54 -0.65 -2.79 0.00 0.00 177.10 174.31 2otl h PRO 25 N 9.65 0.00 -0.01 0.43 0.11 -1.98 -0.42 132.00 139.77 2otl h PRO 25 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2otl h PRO 25 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2otl h PRO 25 CO 0.95 0.00 -0.70 0.39 -0.21 0.00 0.00 178.00 178.43 2otl n GLU 26 N -2.37 0.89 -1.26 1.05 1.02 -1.26 -4.46 120.64 114.25 2otl n GLU 26 Ca -0.01 -0.45 -0.09 0.00 -0.02 0.00 0.00 57.16 56.59 2otl n GLU 26 Cb 0.33 -1.43 0.12 0.00 -0.02 0.00 0.00 31.44 30.45 2otl n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2otl n ARG 27 N -0.80 2.52 0.17 3.49 1.74 -0.17 -4.77 116.66 118.85 2otl n ARG 27 Ca 0.06 -3.68 -0.14 0.00 -0.77 0.00 0.00 57.85 53.32 2otl n ARG 27 Cb 0.37 -1.94 -0.08 0.00 -1.02 0.00 0.00 32.46 29.79 2otl n ARG 27 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2otl h GLN 28 N 1.54 -0.38 -1.01 5.56 4.20 -1.78 -1.09 115.11 122.15 2otl h GLN 28 Ca 0.20 0.03 0.22 0.00 0.06 0.00 0.00 58.65 59.15 2otl h GLN 28 Cb 1.29 0.09 -0.11 0.00 0.30 0.00 0.00 27.48 29.04 2otl h GLN 28 CO 0.40 -0.18 0.61 0.78 -0.67 0.00 0.00 178.83 179.77 2otl h GLY 29 N -0.49 1.74 0.74 3.46 0.00 -1.94 1.05 103.07 107.64 2otl h GLY 29 Ca -0.04 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 2otl h GLY 29 CO 0.07 -0.15 -0.23 -0.55 0.00 0.00 0.00 176.54 175.68 2otl h ASP 30 N 0.63 0.42 -0.24 0.19 3.32 -1.85 -2.84 116.42 116.05 2otl h ASP 30 Ca 0.61 -0.55 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 2otl h ASP 30 Cb 1.12 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 2otl h ASP 30 CO -0.41 0.89 -0.02 0.40 -1.72 0.00 0.00 179.24 178.39 2otl h ILE 31 N -0.03 1.21 -0.31 0.35 2.04 0.33 -1.56 117.51 119.54 2otl h ILE 31 Ca 0.01 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.04 2otl h ILE 31 Cb 0.81 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 2otl h ILE 31 CO 0.05 0.29 0.21 0.00 0.00 0.00 0.00 178.15 178.70 2otl h ALA 32 N 1.46 1.84 0.00 1.87 0.00 0.11 -0.36 119.26 124.18 2otl h ALA 32 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2otl h ALA 32 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2otl h ALA 32 CO 0.01 0.13 -0.15 -0.25 0.00 0.00 0.00 179.25 178.99 2otl n ASP 33 N -4.49 0.38 -4.62 0.00 8.00 -0.61 -4.77 116.55 110.44 2otl n ASP 33 Ca 0.02 0.36 -0.43 0.00 0.71 0.00 0.00 54.79 55.45 2otl n ASP 33 Cb 0.11 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 40.80 2otl n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2otl s ALA 34 N -3.05 3.16 -0.21 2.24 0.00 -0.15 -4.84 121.76 118.91 2otl s ALA 34 Ca 0.12 0.24 -0.08 0.00 0.00 0.00 0.00 51.96 52.23 2otl s ALA 34 Cb 0.16 -3.89 -0.10 0.00 0.00 0.00 0.00 23.12 19.29 2otl s ALA 34 CO 0.60 -2.15 -0.26 -0.89 0.00 0.00 0.00 175.76 173.06 2otl n ILE 35 N 6.72 1.18 -2.88 0.00 2.08 -1.26 -4.87 119.36 120.33 2otl n ILE 35 Ca 0.18 -0.33 -0.26 0.00 0.56 0.00 0.00 62.75 62.91 2otl n ILE 35 Cb 0.46 -1.68 0.00 0.00 -0.75 0.00 0.00 39.64 37.68 2otl n ILE 35 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2otl s THR 36 N -2.40 4.74 0.41 1.39 -4.23 -1.26 -4.97 115.64 109.32 2otl s THR 36 Ca -0.30 -0.10 0.08 0.00 -1.18 0.00 0.00 61.69 60.19 2otl s THR 36 Cb 0.11 -3.78 0.23 0.00 1.34 0.00 0.00 72.50 70.40 2otl s THR 36 CO 0.40 -0.67 2.02 0.03 -0.54 0.00 0.00 174.62 175.86 2otl h ARG 37 N 0.36 0.43 -0.31 3.99 3.08 -1.97 -0.15 114.38 119.80 2otl h ARG 37 Ca -0.48 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.46 2otl h ARG 37 Cb 1.22 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.17 2otl h ARG 37 CO 0.61 0.35 -0.11 1.49 -1.07 0.00 0.00 179.97 181.24 2otl h GLU 38 N 0.43 0.53 -0.34 0.04 4.57 -1.99 -0.06 114.58 117.76 2otl h GLU 38 Ca 0.11 -0.15 -0.12 0.00 -1.18 0.00 0.00 59.36 58.02 2otl h GLU 38 Cb 0.07 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2otl h GLU 38 CO -0.01 0.63 -0.27 -0.44 -1.18 0.00 0.00 179.01 177.74 2otl h ASP 39 N 0.49 0.71 0.17 1.04 3.32 -1.43 -1.83 116.42 118.89 2otl h ASP 39 Ca 0.09 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 2otl h ASP 39 Cb 0.48 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2otl h ASP 39 CO 0.03 0.94 -0.08 0.58 -1.72 0.00 0.00 179.24 178.99 2otl h VAL 40 N 0.59 0.90 -0.95 -1.35 2.07 -0.50 -2.13 116.25 114.89 2otl h VAL 40 Ca 0.08 -0.33 0.13 0.00 0.82 0.00 0.00 66.70 67.40 2otl h VAL 40 Cb 0.77 1.11 -0.09 0.00 -1.52 0.00 0.00 31.29 31.56 2otl h VAL 40 CO 0.06 0.08 0.57 0.03 0.02 0.00 0.00 177.57 178.33 2otl h ARG 41 N -0.39 0.83 -0.96 1.57 3.08 -0.91 0.27 114.38 117.87 2otl h ARG 41 Ca -0.02 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 59.99 2otl h ARG 41 Cb 0.30 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 2otl h ARG 41 CO 0.04 0.55 0.64 1.49 -1.07 0.00 0.00 179.97 181.61 2otl h GLU 42 N 0.85 1.26 -0.00 0.04 4.81 -1.11 0.95 114.58 121.37 2otl h GLU 42 Ca 0.49 -0.08 -0.18 0.00 -0.13 0.00 0.00 59.36 59.47 2otl h GLU 42 Cb 0.58 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2otl h GLU 42 CO -0.30 0.83 -0.81 -0.07 -0.73 0.00 0.00 179.01 177.93 2otl h LEU 43 N 1.30 0.13 -0.24 1.64 3.38 -0.15 -1.67 115.31 119.69 2otl h LEU 43 Ca 0.36 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 2otl h LEU 43 Cb -0.13 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2otl h LEU 43 CO -0.08 0.88 0.09 0.58 0.09 0.00 0.00 178.44 180.00 2otl h VAL 44 N 0.06 1.18 -0.89 1.22 2.07 0.37 0.73 116.25 120.98 2otl h VAL 44 Ca -0.02 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 2otl h VAL 44 Cb 1.42 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 2otl h VAL 44 CO 0.12 0.18 0.52 0.44 0.02 0.00 0.00 177.57 178.84 2otl h ASP 45 N 0.24 1.08 0.11 0.57 3.32 -0.76 0.06 116.42 121.03 2otl h ASP 45 Ca 0.08 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2otl h ASP 45 Cb 0.19 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2otl h ASP 45 CO -0.01 0.84 0.00 -0.62 -1.72 0.00 0.00 179.24 177.74 2otl n GLU 46 N -4.35 0.51 -0.96 3.56 1.02 -0.64 -4.83 120.64 114.95 2otl n GLU 46 Ca 0.10 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2otl n GLU 46 Cb 0.07 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 2otl n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2otl n GLY 47 N 0.26 0.69 0.22 0.62 0.00 0.01 -4.89 105.19 102.09 2otl n GLY 47 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.22 2otl n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otl h ALA 48 N 0.00 1.23 -4.05 4.61 0.00 -1.06 -3.42 119.26 116.57 2otl h ALA 48 Ca 0.00 -0.25 -0.61 0.00 0.00 0.00 0.00 54.91 54.05 2otl h ALA 48 Cb 0.06 -0.04 -0.31 0.00 0.00 0.00 0.00 17.79 17.49 2otl h ALA 48 CO 0.00 0.34 -0.86 0.42 0.00 0.00 0.00 179.25 179.16 2otl s ILE 49 N -4.00 1.68 0.18 0.00 1.01 -1.14 -1.91 121.20 117.02 2otl s ILE 49 Ca -0.02 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 59.72 2otl s ILE 49 Cb 0.13 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 2otl s ILE 49 CO 0.66 0.47 0.21 -1.10 0.00 0.00 0.00 174.94 175.19 2otl s GLN 50 N -0.13 1.18 -0.19 2.79 -0.21 -0.71 -4.51 119.66 117.87 2otl s GLN 50 Ca -0.01 -1.40 -0.01 0.00 0.02 0.00 0.00 55.36 53.95 2otl s GLN 50 Cb -0.12 0.32 0.01 0.00 1.00 0.00 0.00 33.01 34.23 2otl s GLN 50 CO 0.02 -0.41 -0.13 0.00 -2.12 0.00 0.00 175.29 172.65 2otl s ALA 51 N -4.06 2.55 0.54 6.09 0.00 -1.26 0.05 121.76 125.67 2otl s ALA 51 Ca 0.27 -1.17 -0.20 0.00 0.00 0.00 0.00 51.96 50.86 2otl s ALA 51 Cb 0.05 -1.40 -0.06 0.00 0.00 0.00 0.00 23.12 21.72 2otl s ALA 51 CO 0.06 -0.34 1.14 0.15 0.00 0.00 0.00 175.76 176.77 2otl s LYS 52 N 1.30 3.35 0.39 0.00 1.02 0.21 -4.97 119.74 121.04 2otl s LYS 52 Ca 0.04 1.66 -0.26 0.00 0.02 0.00 0.00 55.97 57.42 2otl s LYS 52 Cb -0.14 -2.04 -0.09 0.00 -0.52 0.00 0.00 37.83 35.04 2otl s LYS 52 CO -0.07 -0.86 1.29 -0.51 -0.92 0.00 0.00 175.35 174.27 2otl s ASP 53 N -1.70 6.43 -0.07 2.83 1.01 -1.26 -4.97 116.67 118.93 2otl s ASP 53 Ca 0.72 2.63 -0.16 0.00 0.71 0.00 0.00 52.55 56.45 2otl s ASP 53 Cb -0.25 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 40.99 2otl s ASP 53 CO 0.28 -0.77 0.43 -1.59 0.21 0.00 0.00 175.17 173.74 2otl s LYS 54 N -2.16 4.17 0.68 8.23 -2.85 -1.26 -5.06 119.74 121.49 2otl s LYS 54 Ca 0.55 0.40 -0.15 0.00 -1.00 0.00 0.00 55.97 55.78 2otl s LYS 54 Cb -0.38 -3.35 0.01 0.00 -2.06 0.00 0.00 37.83 32.06 2otl s LYS 54 CO 0.48 0.38 1.13 0.21 0.10 0.00 0.00 175.35 177.66 2otl s LYS 55 N -0.09 2.63 -0.01 1.78 2.20 -1.26 -5.06 119.74 119.93 2otl s LYS 55 Ca 0.24 1.47 0.00 0.00 -0.36 0.00 0.00 55.97 57.32 2otl s LYS 55 Cb -0.16 -1.92 0.01 0.00 -1.51 0.00 0.00 37.83 34.25 2otl s LYS 55 CO 0.11 -1.40 -0.00 0.20 -0.36 0.00 0.00 175.35 173.90 2otl s GLY 56 N -2.46 0.10 0.17 5.54 0.00 -1.26 -5.13 107.32 104.28 2otl s GLY 56 Ca 0.68 0.07 -0.31 0.00 0.00 0.00 0.00 44.72 45.17 2otl s GLY 56 CO 0.42 0.24 1.38 -1.31 0.00 0.00 0.00 173.10 173.83 2otl s ASN 57 N 0.41 6.81 -0.05 1.64 -0.87 -1.26 -4.96 114.94 116.66 2otl s ASN 57 Ca -0.04 2.42 -0.30 0.00 -1.57 0.00 0.00 52.86 53.38 2otl s ASN 57 Cb -0.06 -2.60 -0.05 0.00 -0.02 0.00 0.00 41.25 38.52 2otl s ASN 57 CO -0.01 -0.62 1.54 -0.44 -2.57 0.00 0.00 177.10 175.00 2otl s SER 58 N 0.72 6.74 -0.10 -1.22 0.01 -1.26 -4.89 113.70 113.70 2otl s SER 58 Ca 0.61 2.15 0.15 0.00 1.31 0.00 0.00 55.95 60.17 2otl s SER 58 Cb -0.38 -2.54 0.61 0.00 0.21 0.00 0.00 66.02 63.91 2otl s SER 58 CO 0.35 -0.85 1.48 0.54 0.41 0.00 0.00 173.24 175.17 2otl n ARG 59 N 6.51 3.35 0.47 12.44 1.74 -1.26 -4.55 116.66 135.35 2otl n ARG 59 Ca 0.16 -2.39 -0.19 0.00 -0.77 0.00 0.00 57.85 54.66 2otl n ARG 59 Cb 0.43 -1.82 -0.09 0.00 -1.02 0.00 0.00 32.46 29.96 2otl n ARG 59 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2otl h GLY 60 N 4.44 -1.25 1.22 -0.13 0.00 -1.99 -0.20 103.07 105.14 2otl h GLY 60 Ca 0.00 0.46 0.09 0.00 0.00 0.00 0.00 47.33 47.88 2otl h GLY 60 CO 0.21 -0.45 0.32 3.21 0.00 0.00 0.00 176.54 179.83 2otl h ARG 61 N -1.27 0.25 -0.12 4.80 3.08 -2.01 -1.30 114.38 117.81 2otl h ARG 61 Ca -0.12 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 2otl h ARG 61 Cb 0.92 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.91 2otl h ARG 61 CO 0.20 0.17 -0.03 0.00 -1.07 0.00 0.00 179.97 179.23 2otl h ALA 62 N 1.76 0.17 -0.97 0.04 0.00 -1.79 -2.70 119.26 115.76 2otl h ALA 62 Ca 0.22 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2otl h ALA 62 Cb 0.52 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2otl h ALA 62 CO -0.04 -0.08 0.63 0.00 0.00 0.00 0.00 179.25 179.75 2otl h ARG 63 N -0.08 1.15 -0.15 0.00 3.08 0.07 0.15 114.38 118.60 2otl h ARG 63 Ca 0.03 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.03 2otl h ARG 63 Cb 0.46 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2otl h ARG 63 CO 0.01 0.76 0.02 0.93 -1.07 0.00 0.00 179.97 180.62 2otl h GLU 64 N 1.19 0.07 -0.43 0.04 5.08 -1.28 -1.99 114.58 117.26 2otl h GLU 64 Ca 0.40 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 2otl h GLU 64 Cb 0.07 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2otl h GLU 64 CO -0.14 0.05 0.28 -0.09 -1.00 0.00 0.00 179.01 178.10 2otl h ARG 65 N 0.07 0.57 -0.89 2.33 2.43 -1.03 -2.23 114.38 115.63 2otl h ARG 65 Ca 0.07 -0.04 0.15 0.00 -0.81 0.00 0.00 59.98 59.35 2otl h ARG 65 Cb 0.07 -0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.42 2otl h ARG 65 CO -0.10 0.38 0.57 1.96 -1.51 0.00 0.00 179.97 181.27 2otl h GLN 66 N 0.58 0.62 0.13 0.20 4.20 -0.35 -0.55 115.11 119.93 2otl h GLN 66 Ca 0.16 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2otl h GLN 66 Cb -0.06 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.58 2otl h GLN 66 CO -0.03 0.41 -0.06 0.87 -0.67 0.00 0.00 178.83 179.34 2otl h LYS 67 N 0.63 -0.17 -0.39 1.46 1.57 -0.76 0.40 116.57 119.32 2otl h LYS 67 Ca 0.45 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.31 2otl h LYS 67 Cb 0.80 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.09 2otl h LYS 67 CO -0.20 0.16 0.05 0.87 -0.57 0.00 0.00 179.45 179.76 2otl h LYS 68 N -0.52 0.16 -0.51 3.15 1.79 -1.05 0.16 116.57 119.75 2otl h LYS 68 Ca -0.02 -0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 2otl h LYS 68 Cb 0.41 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 2otl h LYS 68 CO 0.03 0.11 -0.04 0.00 -1.08 0.00 0.00 179.45 178.46 2otl h ARG 69 N 0.16 0.90 -0.02 3.15 3.08 -1.10 0.58 114.38 121.13 2otl h ARG 69 Ca 0.19 -0.28 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 2otl h ARG 69 Cb 0.24 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2otl h ARG 69 CO -0.27 0.92 -0.47 0.00 -1.07 0.00 0.00 179.97 179.08 2otl h ALA 70 N 1.12 1.17 -0.00 0.04 0.00 -0.35 -2.02 119.26 119.23 2otl h ALA 70 Ca 0.15 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2otl h ALA 70 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2otl h ALA 70 CO 0.03 0.60 -0.09 0.98 0.00 0.00 0.00 179.25 180.77 2otl n TYR 71 N -3.98 0.00 0.00 0.00 9.36 0.52 -4.92 117.16 118.14 2otl n TYR 71 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 2otl n TYR 71 Cb 0.50 -0.29 0.00 0.00 -0.63 0.00 0.00 39.34 38.92 2otl n TYR 71 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2otl n GLY 72 N 1.35 0.58 4.00 2.98 0.00 -0.45 -5.05 105.19 108.61 2otl n GLY 72 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 2otl n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2otl s HIS 73 N -2.00 2.69 -1.72 1.61 3.76 0.19 -4.56 115.29 115.26 2otl s HIS 73 Ca 0.00 -0.32 -0.01 0.00 -0.15 0.00 0.00 55.06 54.57 2otl s HIS 73 Cb 0.00 -2.48 0.00 0.00 1.11 0.00 0.00 32.58 31.21 2otl s HIS 73 CO 0.00 -0.62 0.19 1.04 -0.85 0.00 0.00 174.74 174.50 2otl n GLN 74 N -2.03 -2.70 -1.26 1.40 6.02 -1.26 -3.24 117.38 114.31 2otl n GLN 74 Ca 0.09 0.98 0.04 0.00 -0.01 0.00 0.00 57.00 58.10 2otl n GLN 74 Cb 0.59 -5.71 0.07 0.00 1.02 0.00 0.00 30.24 26.22 2otl n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2otl n LYS 75 N -3.33 0.49 -1.74 -1.09 5.02 -1.26 -4.92 118.16 111.33 2otl n LYS 75 Ca -0.21 -2.40 -0.29 0.00 -2.02 0.00 0.00 58.31 53.39 2otl n LYS 75 Cb 0.67 -0.49 0.15 0.00 -0.02 0.00 0.00 35.03 35.34 2otl n LYS 75 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2otl s GLY 76 N -2.38 1.65 0.36 0.72 0.00 -1.26 -4.82 107.32 101.59 2otl s GLY 76 Ca 0.35 -0.84 0.15 0.00 0.00 0.00 0.00 44.72 44.38 2otl s GLY 76 CO -0.14 -0.20 1.70 0.00 0.00 0.00 0.00 173.10 174.47 2otl h ALA 77 N -1.52 2.04 0.00 3.20 0.00 -1.98 0.38 119.26 121.37 2otl h ALA 77 Ca -0.46 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2otl h ALA 77 Cb 1.29 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2otl h ALA 77 CO 0.52 -0.57 0.00 0.41 0.00 0.00 0.00 179.25 179.61 2otl n GLY 78 N -1.36 -0.77 0.05 0.00 0.00 -1.26 -2.85 105.19 99.01 2otl n GLY 78 Ca 0.29 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 46.21 2otl n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2otl n SER 79 N -0.87 0.58 -4.79 1.61 7.64 0.13 -5.01 113.62 112.91 2otl n SER 79 Ca 0.14 -0.79 -0.38 0.00 1.01 0.00 0.00 58.87 58.85 2otl n SER 79 Cb 0.06 0.63 -0.06 0.00 -1.01 0.00 0.00 64.21 63.83 2otl n SER 79 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2otl s ARG 80 N -0.93 4.12 -0.06 1.43 0.52 -1.13 -4.94 118.95 117.96 2otl s ARG 80 Ca 0.02 0.50 0.01 0.00 -0.52 0.00 0.00 55.73 55.74 2otl s ARG 80 Cb 0.03 -3.29 -0.04 0.00 0.52 0.00 0.00 34.95 32.16 2otl s ARG 80 CO 0.10 0.51 -0.05 1.17 0.02 0.00 0.00 175.30 177.05 2otl n LYS 81 N 2.39 0.40 -3.03 3.54 3.00 -1.26 -5.03 118.16 118.17 2otl n LYS 81 Ca -0.11 0.03 -0.26 0.00 -0.00 0.00 0.00 58.31 57.98 2otl n LYS 81 Cb 0.52 -1.13 -0.01 0.00 0.00 0.00 0.00 35.03 34.41 2otl n LYS 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2otl s GLY 82 N -4.55 1.43 0.95 3.14 0.00 -1.26 -5.07 107.32 101.97 2otl s GLY 82 Ca -0.08 -0.71 -0.10 0.00 0.00 0.00 0.00 44.72 43.83 2otl s GLY 82 CO 0.15 -0.60 1.11 1.17 0.00 0.00 0.00 173.10 174.94 2otl n LYS 83 N -1.97 -0.73 0.06 2.90 3.00 -1.26 -4.73 118.16 115.44 2otl n LYS 83 Ca -0.02 -0.15 -0.12 0.00 -0.00 0.00 0.00 58.31 58.02 2otl n LYS 83 Cb 0.56 -2.34 -0.06 0.00 0.00 0.00 0.00 35.03 33.19 2otl n LYS 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2otl h ALA 84 N -2.00 -0.12 0.00 3.14 0.00 -1.97 -0.79 119.26 117.52 2otl h ALA 84 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2otl h ALA 84 Cb 1.28 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2otl h ALA 84 CO 0.42 -0.59 0.00 0.41 0.00 0.00 0.00 179.25 179.49 2otl n GLY 85 N -1.21 -0.50 0.12 0.00 0.00 -1.26 -1.15 105.19 101.19 2otl n GLY 85 Ca -0.06 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 2otl n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otl n ALA 86 N -1.45 1.07 0.16 4.61 0.00 -0.36 -3.67 120.51 120.87 2otl n ALA 86 Ca 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 53.44 52.81 2otl n ALA 86 Cb 0.02 -0.70 0.21 0.00 0.00 0.00 0.00 19.45 18.98 2otl n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2otl h ARG 87 N 0.05 0.00 -2.34 0.00 3.08 -0.45 -3.43 114.38 111.28 2otl h ARG 87 Ca -0.40 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.52 2otl h ARG 87 Cb 2.03 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 31.79 2otl h ARG 87 CO 0.08 0.49 -0.43 -1.14 -1.07 0.00 0.00 179.97 177.90 2otl s GLN 88 N -3.40 0.31 -0.23 0.04 0.74 -0.54 -5.12 119.66 111.46 2otl s GLN 88 Ca 0.01 0.81 -0.29 0.00 0.05 0.00 0.00 55.36 55.94 2otl s GLN 88 Cb 0.10 -0.03 -0.03 0.00 1.10 0.00 0.00 33.01 34.16 2otl s GLN 88 CO 0.72 -0.40 1.69 1.21 -0.55 0.00 0.00 175.29 177.96 2otl s ASN 89 N 2.56 6.26 0.39 6.67 3.84 -1.24 -4.24 114.94 129.18 2otl s ASN 89 Ca 0.04 1.63 0.10 0.00 0.21 0.00 0.00 52.86 54.84 2otl s ASN 89 Cb -0.13 -2.53 0.88 0.00 -0.55 0.00 0.00 41.25 38.92 2otl s ASN 89 CO -0.13 -1.35 1.96 0.77 -2.79 0.00 0.00 177.10 175.55 2otl h SER 90 N 11.27 0.52 -0.23 -4.21 4.64 -1.94 -1.22 113.55 122.39 2otl h SER 90 Ca -0.35 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 60.96 2otl h SER 90 Cb 1.16 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 2otl h SER 90 CO 1.00 0.32 0.05 0.50 -0.87 0.00 0.00 176.83 177.83 2otl h LYS 91 N 0.59 0.37 -0.41 4.77 3.11 -1.97 -2.11 116.57 120.91 2otl h LYS 91 Ca 0.31 -0.09 -0.03 0.00 -2.81 0.00 0.00 60.65 58.03 2otl h LYS 91 Cb 0.44 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.60 2otl h LYS 91 CO -0.10 0.49 0.13 0.93 -2.81 0.00 0.00 179.45 178.08 2otl h GLU 92 N 0.19 0.60 -0.45 1.90 5.08 -1.67 -1.37 114.58 118.86 2otl h GLU 92 Ca 0.07 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 2otl h GLU 92 Cb 0.29 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2otl h GLU 92 CO 0.00 0.53 -0.25 0.22 -1.00 0.00 0.00 179.01 178.51 2otl h ASP 93 N 0.59 0.97 0.02 1.42 3.58 -1.06 -0.30 116.42 121.64 2otl h ASP 93 Ca 0.14 -0.38 -0.12 0.00 0.42 0.00 0.00 57.03 57.09 2otl h ASP 93 Cb 0.18 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 2otl h ASP 93 CO -0.01 1.16 -0.36 -0.25 -2.88 0.00 0.00 179.24 176.90 2otl h TRP 94 N 0.81 0.54 -0.23 0.28 2.91 -0.96 -0.44 115.95 118.86 2otl h TRP 94 Ca 0.10 -0.14 -0.05 0.00 1.13 0.00 0.00 58.89 59.92 2otl h TRP 94 Cb 0.82 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.34 2otl h TRP 94 CO 0.05 0.77 -0.06 0.93 -1.03 0.00 0.00 178.44 179.10 2otl h GLU 95 N 0.39 0.45 0.58 2.65 5.08 -1.01 0.55 114.58 123.27 2otl h GLU 95 Ca 0.04 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 2otl h GLU 95 Cb 0.82 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2otl h GLU 95 CO 0.07 0.68 -0.35 1.03 -1.00 0.00 0.00 179.01 179.44 2otl h SER 96 N 0.19 -0.88 0.28 1.42 0.87 -0.92 -2.32 113.55 112.20 2otl h SER 96 Ca 0.06 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 2otl h SER 96 Cb 0.52 0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 2otl h SER 96 CO 0.02 -0.55 -0.27 0.03 -0.53 0.00 0.00 176.83 175.53 2otl h ARG 97 N -0.88 -0.53 -0.79 2.24 3.08 -1.08 -2.43 114.38 114.00 2otl h ARG 97 Ca -0.07 0.04 0.19 0.00 0.07 0.00 0.00 59.98 60.21 2otl h ARG 97 Cb 0.71 0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.83 2otl h ARG 97 CO 0.07 -0.35 0.54 0.97 -1.07 0.00 0.00 179.97 180.14 2otl h ILE 98 N -0.55 0.68 -0.25 2.04 -0.00 -0.95 -0.09 117.51 118.40 2otl h ILE 98 Ca -0.04 -0.08 -0.10 0.00 -0.00 0.00 0.00 64.86 64.65 2otl h ILE 98 Cb 0.47 0.44 -0.00 0.00 -0.00 0.00 0.00 36.82 37.73 2otl h ILE 98 CO -0.03 0.04 -0.23 0.03 -0.00 0.00 0.00 178.15 177.96 2otl h ARG 99 N 0.22 0.60 -0.08 2.19 3.08 -1.25 -1.55 114.38 117.59 2otl h ARG 99 Ca 0.39 -0.31 0.03 0.00 0.07 0.00 0.00 59.98 60.16 2otl h ARG 99 Cb 1.20 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 2otl h ARG 99 CO -0.08 0.91 -0.10 0.00 -1.07 0.00 0.00 179.97 179.63 2otl h ALA 100 N 0.68 -0.03 -0.94 0.04 0.00 -0.53 0.17 119.26 118.65 2otl h ALA 100 Ca 0.04 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2otl h ALA 100 Cb 0.79 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 2otl h ALA 100 CO 0.06 -0.56 0.61 1.96 0.00 0.00 0.00 179.25 181.32 2otl h GLN 101 N -0.12 1.17 -0.05 0.00 4.20 -1.35 0.82 115.11 119.78 2otl h GLN 101 Ca 0.07 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 2otl h GLN 101 Cb 0.22 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2otl h GLN 101 CO -0.16 0.78 -0.48 0.00 -0.67 0.00 0.00 178.83 178.29 2otl h ARG 102 N 1.21 0.12 -0.27 1.46 3.08 -0.72 -1.98 114.38 117.27 2otl h ARG 102 Ca 0.37 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.24 2otl h ARG 102 Cb -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 2otl h ARG 102 CO -0.11 0.58 -0.28 1.15 -1.07 0.00 0.00 179.97 180.24 2otl h THR 103 N 0.09 1.31 0.33 2.04 2.02 0.32 -2.37 112.91 116.65 2otl h THR 103 Ca 0.00 -1.45 -0.02 0.00 0.77 0.00 0.00 66.41 65.72 2otl h THR 103 Cb 0.89 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 2otl h THR 103 CO 0.07 0.46 -0.16 0.50 0.37 0.00 0.00 175.52 176.76 2otl h LYS 104 N 0.40 -0.42 -0.12 6.66 1.63 -0.71 -1.58 116.57 122.43 2otl h LYS 104 Ca 0.04 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.91 2otl h LYS 104 Cb 0.85 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.57 2otl h LYS 104 CO 0.07 -0.25 0.11 -0.07 -3.45 0.00 0.00 179.45 175.86 2otl h LEU 105 N -0.48 0.00 -0.24 5.20 3.38 -1.40 -0.64 115.31 121.12 2otl h LEU 105 Ca -0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 2otl h LEU 105 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2otl h LEU 105 CO 0.07 0.00 -0.59 -0.09 0.09 0.00 0.00 178.44 177.92 2otl h ARG 106 N 0.00 0.83 -0.17 1.13 2.43 -0.80 -2.65 114.38 115.16 2otl h ARG 106 Ca 0.06 -0.57 -0.05 0.00 -0.81 0.00 0.00 59.98 58.60 2otl h ARG 106 Cb 0.28 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2otl h ARG 106 CO -0.00 1.19 -0.11 0.93 -1.51 0.00 0.00 179.97 180.48 2otl h GLU 107 N 0.59 0.36 -0.65 0.20 5.08 -0.22 -2.66 114.58 117.29 2otl h GLU 107 Ca -0.00 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2otl h GLU 107 Cb 1.21 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 2otl h GLU 107 CO 0.13 0.70 0.40 -0.07 -1.00 0.00 0.00 179.01 179.17 2otl h LEU 108 N 0.03 0.77 -1.07 1.33 3.38 -1.36 -0.37 115.31 118.02 2otl h LEU 108 Ca 0.03 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2otl h LEU 108 Cb 0.60 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2otl h LEU 108 CO 0.03 0.59 -0.18 -0.09 0.09 0.00 0.00 178.44 178.87 2otl h ARG 109 N 0.89 0.44 -0.03 1.13 2.43 -1.42 -2.08 114.38 115.74 2otl h ARG 109 Ca 0.24 -0.14 -0.13 0.00 -0.81 0.00 0.00 59.98 59.13 2otl h ARG 109 Cb -0.05 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 2otl h ARG 109 CO -0.05 0.61 -0.59 -0.44 -1.51 0.00 0.00 179.97 178.00 2otl h ASP 110 N 0.41 0.12 -0.14 -3.80 5.19 -0.74 -3.05 116.42 114.40 2otl h ASP 110 Ca 0.07 -0.07 -0.19 0.00 -0.62 0.00 0.00 57.03 56.22 2otl h ASP 110 Cb 0.56 -0.03 0.01 0.00 0.18 0.00 0.00 39.33 40.04 2otl h ASP 110 CO 0.04 0.68 -0.65 -0.33 -3.12 0.00 0.00 179.24 175.86 2otl h GLU 111 N 0.08 0.69 0.00 3.56 5.08 -1.04 -3.47 114.58 119.48 2otl h GLU 111 Ca -0.01 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 2otl h GLU 111 Cb 1.06 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2otl h GLU 111 CO 0.08 1.17 0.00 0.41 -1.00 0.00 0.00 179.01 179.67 2otl n GLY 112 N 0.68 1.28 0.36 -3.84 0.00 -0.83 -4.98 105.19 97.86 2otl n GLY 112 Ca -0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.04 2otl n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2otl h THR 113 N 0.00 0.92 -3.91 2.61 2.02 -1.70 -3.40 112.91 109.46 2otl h THR 113 Ca 0.00 -0.25 -0.69 0.00 0.77 0.00 0.00 66.41 66.24 2otl h THR 113 Cb 0.00 0.12 -0.30 0.00 -1.74 0.00 0.00 68.15 66.23 2otl h THR 113 CO 0.00 0.14 -0.85 -0.76 0.37 0.00 0.00 175.52 174.41 2otl s LEU 114 N -9.77 2.25 0.11 2.58 1.43 -1.12 -5.01 118.68 109.16 2otl s LEU 114 Ca -0.10 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.44 2otl s LEU 114 Cb 0.21 -1.43 -0.06 0.00 0.03 0.00 0.00 46.19 44.93 2otl s LEU 114 CO 0.78 0.25 0.47 -0.94 0.23 0.00 0.00 176.35 177.14 2otl s SER 115 N -0.16 6.73 -0.39 2.29 1.04 -1.26 -4.41 113.70 117.54 2otl s SER 115 Ca -0.03 0.93 -0.27 0.00 0.48 0.00 0.00 55.95 57.06 2otl s SER 115 Cb -0.14 -2.23 -0.29 0.00 0.10 0.00 0.00 66.02 63.46 2otl s SER 115 CO 0.04 0.14 1.75 -1.54 0.98 0.00 0.00 173.24 174.61 2otl n SER 116 N 0.87 1.60 0.00 7.02 3.41 -1.26 0.42 113.62 125.68 2otl n SER 116 Ca -0.07 -2.57 0.00 0.00 -0.26 0.00 0.00 58.87 55.98 2otl n SER 116 Cb 0.52 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 2otl n SER 116 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2otl n SER 117 N 9.67 0.00 0.02 4.04 3.41 -1.26 -4.79 113.62 124.71 2otl n SER 117 Ca 0.47 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.88 2otl n SER 117 Cb 0.42 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.23 2otl n SER 117 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2otl h GLN 118 N 0.00 0.25 0.33 4.33 4.20 -0.41 -2.57 115.11 121.24 2otl h GLN 118 Ca 0.00 -0.43 -0.00 0.00 0.06 0.00 0.00 58.65 58.28 2otl h GLN 118 Cb 0.00 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2otl h GLN 118 CO 0.00 1.21 -0.32 -0.92 -0.67 0.00 0.00 178.83 178.12 2otl h TYR 119 N -0.37 -0.86 -0.71 2.96 3.20 -1.65 0.10 116.97 119.64 2otl h TYR 119 Ca -0.24 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.72 2otl h TYR 119 Cb 1.68 0.33 -0.07 0.00 1.54 0.00 0.00 36.73 40.22 2otl h TYR 119 CO 0.16 -0.46 0.37 -0.09 -1.64 0.00 0.00 178.16 176.50 2otl h ARG 120 N -0.68 0.63 -0.04 1.82 9.65 -1.80 0.46 114.38 124.42 2otl h ARG 120 Ca -0.02 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.84 2otl h ARG 120 Cb 0.61 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.03 2otl h ARG 120 CO -0.06 0.42 -0.07 0.22 2.80 0.00 0.00 179.97 183.27 2otl h ASP 121 N 0.65 -0.22 -0.20 -3.80 1.82 -0.96 -1.94 116.42 111.76 2otl h ASP 121 Ca 0.34 0.04 -0.16 0.00 -0.39 0.00 0.00 57.03 56.86 2otl h ASP 121 Cb 0.31 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.42 2otl h ASP 121 CO -0.24 -0.11 -0.46 -0.07 -1.61 0.00 0.00 179.24 176.75 2otl h LEU 122 N -0.11 0.83 0.56 2.28 3.38 -0.10 -2.70 115.31 119.44 2otl h LEU 122 Ca 0.04 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 2otl h LEU 122 Cb 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2otl h LEU 122 CO -0.11 1.16 -0.37 0.22 0.09 0.00 0.00 178.44 179.44 2otl h TYR 123 N 0.61 -0.97 -0.88 1.13 3.20 0.03 0.20 116.97 120.29 2otl h TYR 123 Ca 0.04 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.04 2otl h TYR 123 Cb 1.03 0.35 -0.07 0.00 1.54 0.00 0.00 36.73 39.58 2otl h TYR 123 CO 0.06 -0.55 0.57 -0.44 -1.64 0.00 0.00 178.16 176.15 2otl h ASP 124 N -0.89 0.65 -0.28 -2.11 5.19 -1.40 0.35 116.42 117.93 2otl h ASP 124 Ca -0.07 0.04 -0.10 0.00 -0.62 0.00 0.00 57.03 56.28 2otl h ASP 124 Cb 0.73 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 2otl h ASP 124 CO 0.05 0.34 -0.21 0.11 -3.12 0.00 0.00 179.24 176.41 2otl h LYS 125 N 0.70 0.64 -0.55 3.56 1.57 -1.08 -3.09 116.57 118.32 2otl h LYS 125 Ca 0.44 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2otl h LYS 125 Cb 0.69 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 2otl h LYS 125 CO -0.20 0.90 0.33 0.00 -0.57 0.00 0.00 179.45 179.92 2otl h ALA 126 N 0.72 0.70 0.00 3.86 0.00 0.72 -0.23 119.26 125.03 2otl h ALA 126 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2otl h ALA 126 Cb 0.75 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2otl h ALA 126 CO 0.06 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.90 2otl n GLY 127 N -1.13 -0.43 0.00 0.00 0.00 -0.02 -0.29 105.19 103.32 2otl n GLY 127 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2otl n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otl n GLY 128 N -0.01 1.10 2.44 -0.02 0.00 -0.12 -5.00 105.19 103.59 2otl n GLY 128 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2otl n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otl n GLY 129 N -0.29 0.26 0.13 -0.02 0.00 0.60 -4.96 105.19 100.91 2otl n GLY 129 Ca 0.00 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.86 2otl n GLY 129 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2otl h GLU 130 N -1.22 0.00 -4.97 1.61 4.39 -1.63 -3.45 114.58 109.32 2otl h GLU 130 Ca -0.26 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 58.77 2otl h GLU 130 Cb 1.17 0.00 -0.33 0.00 -0.10 0.00 0.00 28.75 29.49 2otl h GLU 130 CO 0.25 0.10 -0.79 -0.06 -1.16 0.00 0.00 179.01 177.35 2otl s PHE 131 N -3.22 2.96 0.13 4.33 2.99 -1.26 -5.01 117.98 118.90 2otl s PHE 131 Ca 0.00 -1.55 -0.20 0.00 0.00 0.00 0.00 56.93 55.18 2otl s PHE 131 Cb 0.09 -2.01 -0.03 0.00 0.00 0.00 0.00 43.02 41.07 2otl s PHE 131 CO 0.78 -0.74 1.73 -0.44 -0.00 0.00 0.00 175.22 176.54 2otl h ASP 132 N 7.98 -0.05 -4.40 1.36 3.32 -1.92 -3.46 116.42 119.26 2otl h ASP 132 Ca -0.38 0.04 -0.39 0.00 0.02 0.00 0.00 57.03 56.33 2otl h ASP 132 Cb 1.12 0.07 -0.10 0.00 0.22 0.00 0.00 39.33 40.64 2otl h ASP 132 CO 0.59 0.00 -0.35 -1.54 -1.72 0.00 0.00 179.24 176.23 2otl n SER 133 N -5.12 -0.83 -0.27 6.45 3.41 -1.26 -5.01 113.62 110.99 2otl n SER 133 Ca -0.02 -2.94 -0.06 0.00 -0.26 0.00 0.00 58.87 55.58 2otl n SER 133 Cb 0.10 1.77 0.06 0.00 -0.26 0.00 0.00 64.21 65.89 2otl n SER 133 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2otl h VAL 134 N 1.97 1.26 -0.11 -3.33 2.07 -1.92 -2.21 116.25 113.99 2otl h VAL 134 Ca -0.23 -0.91 0.04 0.00 0.82 0.00 0.00 66.70 66.43 2otl h VAL 134 Cb 1.10 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 2otl h VAL 134 CO 0.32 0.36 -0.14 0.00 0.02 0.00 0.00 177.57 178.13 2otl h ALA 135 N 1.14 -0.08 -0.49 1.67 0.00 -1.99 0.29 119.26 119.80 2otl h ALA 135 Ca 0.24 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.27 2otl h ALA 135 Cb 0.30 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2otl h ALA 135 CO -0.01 -0.60 0.33 0.22 0.00 0.00 0.00 179.25 179.19 2otl h ASP 136 N -0.19 0.30 0.60 0.00 3.58 -1.90 -0.71 116.42 118.09 2otl h ASP 136 Ca 0.08 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 2otl h ASP 136 Cb 0.31 -0.06 0.01 0.00 1.72 0.00 0.00 39.33 41.31 2otl h ASP 136 CO -0.22 0.19 -0.29 0.25 -2.88 0.00 0.00 179.24 176.29 2otl h LEU 137 N 0.33 -0.69 -1.28 2.28 5.85 -0.38 -2.16 115.31 119.28 2otl h LEU 137 Ca 0.22 -0.03 0.19 0.00 0.84 0.00 0.00 57.88 59.10 2otl h LEU 137 Cb 0.44 0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.56 2otl h LEU 137 CO -0.05 -0.33 0.60 -0.33 -0.34 0.00 0.00 178.44 177.99 2otl h GLU 138 N -1.07 0.59 -0.24 1.25 5.08 -0.50 0.31 114.58 120.01 2otl h GLU 138 Ca -0.08 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 2otl h GLU 138 Cb 0.67 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2otl h GLU 138 CO 0.14 0.39 -0.14 0.00 -1.00 0.00 0.00 179.01 178.39 2otl h ARG 139 N 0.61 0.40 0.06 2.33 3.08 -1.00 -1.55 114.38 118.31 2otl h ARG 139 Ca 0.51 -0.11 -0.19 0.00 0.07 0.00 0.00 59.98 60.26 2otl h ARG 139 Cb 0.97 -0.04 0.02 0.00 0.08 0.00 0.00 29.97 31.00 2otl h ARG 139 CO -0.26 0.54 -0.78 -0.92 -1.07 0.00 0.00 179.97 177.49 2otl h TYR 140 N 0.37 0.67 -0.43 3.04 3.20 0.17 -3.32 116.97 120.68 2otl h TYR 140 Ca 0.07 -0.41 0.04 0.00 3.14 0.00 0.00 58.73 61.58 2otl h TYR 140 Cb 0.48 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 2otl h TYR 140 CO 0.01 1.26 0.18 0.82 -1.64 0.00 0.00 178.16 178.79 2otl h ILE 141 N -0.11 0.92 -0.46 1.81 2.04 -0.72 -3.28 117.51 117.72 2otl h ILE 141 Ca -0.11 -0.13 -0.55 0.00 1.00 0.00 0.00 64.86 65.06 2otl h ILE 141 Cb 1.52 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 2otl h ILE 141 CO 0.15 0.07 1.94 0.47 0.00 0.00 0.00 178.15 180.78 2otl n ASP 142 N -4.96 3.72 0.00 1.72 8.00 -0.60 -5.10 116.55 119.33 2otl n ASP 142 Ca 0.03 -2.79 0.00 0.00 0.71 0.00 0.00 54.79 52.74 2otl n ASP 142 Cb 0.13 -1.63 0.00 0.00 -0.02 0.00 0.00 41.12 39.61 2otl n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81