#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpw s ASP 2 N 0.00 2.82 0.00 3.42 -1.08 -1.26 -5.03 116.67 115.53 3cpw s ASP 2 Ca 0.00 -0.75 0.16 0.00 -0.52 0.00 0.00 52.55 51.43 3cpw s ASP 2 Cb 0.00 -0.63 0.40 0.00 -1.46 0.00 0.00 42.92 41.23 3cpw s ASP 2 CO 0.00 -0.28 1.32 0.18 0.52 0.00 0.00 175.17 176.91 3cpw n LEU 3 N 5.03 3.22 -0.20 -1.34 4.77 -1.26 -4.62 117.00 122.60 3cpw n LEU 3 Ca -0.09 -1.85 0.14 0.00 -0.03 0.00 0.00 56.01 54.18 3cpw n LEU 3 Cb 0.47 -0.29 0.46 0.00 -2.33 0.00 0.00 43.42 41.73 3cpw n LEU 3 CO 0.13 0.78 1.21 0.77 -1.33 0.00 0.00 177.39 178.95 3cpw h SER 4 N 3.01 0.48 0.02 -1.43 4.64 -1.99 -0.08 113.55 118.20 3cpw h SER 4 Ca 0.00 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3cpw h SER 4 Cb 0.82 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3cpw h SER 4 CO 0.00 0.25 -0.01 0.00 -0.87 0.00 0.00 176.83 176.20 3cpw h ALA 5 N 1.63 -0.03 -0.01 5.18 0.00 -2.01 -2.64 119.26 121.38 3cpw h ALA 5 Ca 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3cpw h ALA 5 Cb 0.78 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3cpw h ALA 5 CO -0.14 -0.39 0.01 1.96 0.00 0.00 0.00 179.25 180.69 3cpw h GLN 6 N -0.28 0.00 -0.75 0.00 7.50 -1.54 -0.87 115.11 119.16 3cpw h GLN 6 Ca -0.00 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.11 3cpw h GLN 6 Cb 0.27 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.77 3cpw h GLN 6 CO 0.00 0.00 0.32 0.87 -1.50 0.00 0.00 178.83 178.53 3cpw h LYS 7 N 0.00 1.10 -0.34 1.46 1.79 -0.72 -0.07 116.57 119.80 3cpw h LYS 7 Ca 0.01 -0.18 -0.05 0.00 -2.18 0.00 0.00 60.65 58.24 3cpw h LYS 7 Cb 0.02 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.47 3cpw h LYS 7 CO -0.00 0.88 -0.00 -0.09 -1.08 0.00 0.00 179.45 179.16 3cpw h ARG 8 N 1.07 0.60 -0.57 3.15 2.43 -0.90 -0.84 114.38 119.32 3cpw h ARG 8 Ca 0.25 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 3cpw h ARG 8 Cb 0.18 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 3cpw h ARG 8 CO -0.03 0.72 0.07 -0.07 -1.51 0.00 0.00 179.97 179.16 3cpw h LEU 9 N 0.40 0.92 -0.60 3.80 3.38 -1.20 -2.42 115.31 119.59 3cpw h LEU 9 Ca 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3cpw h LEU 9 Cb 0.45 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3cpw h LEU 9 CO 0.02 0.95 0.27 0.00 0.09 0.00 0.00 178.44 179.77 3cpw h ALA 10 N 0.99 0.78 -0.86 1.53 0.00 -0.92 0.18 119.26 120.96 3cpw h ALA 10 Ca 0.17 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3cpw h ALA 10 Cb 0.44 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3cpw h ALA 10 CO 0.01 0.36 0.56 0.00 0.00 0.00 0.00 179.25 180.19 3cpw h ALA 11 N 1.11 1.38 0.05 0.00 0.00 -0.97 0.18 119.26 121.00 3cpw h ALA 11 Ca 0.20 -0.06 -0.28 0.00 0.00 0.00 0.00 54.91 54.77 3cpw h ALA 11 Cb 0.15 -0.35 0.02 0.00 0.00 0.00 0.00 17.79 17.62 3cpw h ALA 11 CO -0.02 0.57 -1.12 0.22 0.00 0.00 0.00 179.25 178.90 3cpw h ASP 12 N 1.16 0.87 -0.22 0.00 1.82 -1.03 0.34 116.42 119.37 3cpw h ASP 12 Ca 0.31 -0.74 -0.16 0.00 -0.39 0.00 0.00 57.03 56.06 3cpw h ASP 12 Cb -0.12 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 39.61 3cpw h ASP 12 CO -0.07 1.54 -0.44 1.62 -1.61 0.00 0.00 179.24 180.29 3cpw h VAL 13 N 0.33 1.29 0.00 2.25 3.04 -0.33 -2.58 116.25 120.25 3cpw h VAL 13 Ca -0.15 -1.62 0.00 0.00 -1.01 0.00 0.00 66.70 63.92 3cpw h VAL 13 Cb 1.78 1.52 0.00 0.00 -2.01 0.00 0.00 31.29 32.58 3cpw h VAL 13 CO 0.22 0.53 -0.28 0.18 -1.01 0.00 0.00 177.57 177.20 3cpw n LEU 14 N -4.03 0.39 -3.35 3.16 4.77 0.59 -4.96 117.00 113.57 3cpw n LEU 14 Ca -0.02 0.29 -0.15 0.00 -0.03 0.00 0.00 56.01 56.09 3cpw n LEU 14 Cb 0.56 -0.34 0.03 0.00 -2.33 0.00 0.00 43.42 41.34 3cpw n LEU 14 CO 0.48 0.01 0.09 -0.67 -1.33 0.00 0.00 177.39 175.97 3cpw n ASP 15 N -1.69 -6.55 -3.83 -1.43 -0.08 0.04 -5.03 116.55 97.98 3cpw n ASP 15 Ca 0.06 -0.59 -0.09 0.00 -1.51 0.00 0.00 54.79 52.66 3cpw n ASP 15 Cb 0.37 -4.42 -0.06 0.00 2.34 0.00 0.00 41.12 39.34 3cpw n ASP 15 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3cpw s VAL 16 N -3.23 0.10 0.37 5.18 1.01 1.00 -5.01 120.40 119.83 3cpw s VAL 16 Ca 0.25 -1.09 -0.27 0.00 0.00 0.00 0.00 61.98 60.87 3cpw s VAL 16 Cb -0.06 -1.44 -0.10 0.00 0.00 0.00 0.00 36.38 34.79 3cpw s VAL 16 CO 0.79 -0.47 1.32 -0.83 0.00 0.00 0.00 175.10 175.91 3cpw s GLY 17 N -2.88 2.96 0.34 4.51 0.00 -1.26 -4.46 107.32 106.53 3cpw s GLY 17 Ca 0.08 1.27 0.11 0.00 0.00 0.00 0.00 44.72 46.18 3cpw s GLY 17 CO -0.08 1.89 1.77 0.50 0.00 0.00 0.00 173.10 177.18 3cpw h LYS 18 N 2.98 0.56 0.00 2.90 1.57 -1.89 0.12 116.57 122.81 3cpw h LYS 18 Ca -0.49 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 3cpw h LYS 18 Cb 1.24 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3cpw h LYS 18 CO 0.64 0.37 0.00 0.09 -0.57 0.00 0.00 179.45 179.98 3cpw n ASN 19 N -4.74 0.00 -0.25 0.86 3.02 -1.26 -1.81 115.26 111.08 3cpw n ASN 19 Ca 0.25 0.47 0.08 0.00 -0.03 0.00 0.00 54.58 55.34 3cpw n ASN 19 Cb 0.71 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 39.38 3cpw n ASN 19 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3cpw n ARG 20 N -1.48 1.76 -2.64 3.52 1.74 0.42 -4.97 116.66 115.01 3cpw n ARG 20 Ca 0.01 -0.56 -0.39 0.00 -0.77 0.00 0.00 57.85 56.14 3cpw n ARG 20 Cb 0.03 -1.26 -0.05 0.00 -1.02 0.00 0.00 32.46 30.16 3cpw n ARG 20 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3cpw s VAL 21 N -2.07 3.88 -0.11 1.55 -7.23 -0.75 0.22 120.40 115.89 3cpw s VAL 21 Ca 0.11 1.72 0.03 0.00 -1.81 0.00 0.00 61.98 62.03 3cpw s VAL 21 Cb 0.13 -4.03 0.01 0.00 0.56 0.00 0.00 36.38 33.04 3cpw s VAL 21 CO 0.48 0.28 -0.21 0.86 -0.31 0.00 0.00 175.10 176.20 3cpw s TRP 22 N -1.37 2.39 -0.17 2.82 -0.00 0.27 -4.89 118.94 117.99 3cpw s TRP 22 Ca 0.47 -1.07 -0.04 0.00 -0.00 0.00 0.00 56.10 55.46 3cpw s TRP 22 Cb -0.25 -1.64 -0.03 0.00 -0.00 0.00 0.00 33.47 31.56 3cpw s TRP 22 CO 0.32 -0.48 -0.02 -0.06 -0.00 0.00 0.00 176.95 176.71 3cpw s PHE 23 N 0.62 3.04 -0.04 5.86 0.08 -1.26 -1.23 117.98 125.04 3cpw s PHE 23 Ca -0.13 -0.34 -0.29 0.00 0.12 0.00 0.00 56.93 56.29 3cpw s PHE 23 Cb -0.17 -2.01 -0.08 0.00 -0.57 0.00 0.00 43.02 40.20 3cpw s PHE 23 CO 0.03 -0.10 2.06 1.21 -0.10 0.00 0.00 175.22 178.32 3cpw s ASN 24 N 0.59 6.12 0.55 1.36 3.84 -0.25 -4.84 114.94 122.30 3cpw s ASN 24 Ca -0.02 2.43 0.31 0.00 0.21 0.00 0.00 52.86 55.79 3cpw s ASN 24 Cb -0.14 -2.52 1.48 0.00 -0.55 0.00 0.00 41.25 39.51 3cpw s ASN 24 CO 0.02 -1.36 1.88 -0.65 -2.79 0.00 0.00 177.10 174.21 3cpw h PRO 25 N 12.10 0.00 -0.07 0.43 0.11 -1.97 0.45 132.00 143.06 3cpw h PRO 25 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3cpw h PRO 25 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3cpw h PRO 25 CO 0.95 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.13 3cpw n GLU 26 N -4.16 1.44 -0.46 1.05 1.02 -1.26 -3.95 120.64 114.33 3cpw n GLU 26 Ca 0.17 -0.65 0.06 0.00 -0.02 0.00 0.00 57.16 56.72 3cpw n GLU 26 Cb 0.93 -1.41 0.11 0.00 -0.02 0.00 0.00 31.44 31.06 3cpw n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3cpw n ARG 27 N -0.16 0.94 -0.34 3.49 1.74 0.15 -4.79 116.66 117.69 3cpw n ARG 27 Ca 0.18 -2.36 0.10 0.00 -0.77 0.00 0.00 57.85 55.00 3cpw n ARG 27 Cb 0.24 -1.14 0.30 0.00 -1.02 0.00 0.00 32.46 30.84 3cpw n ARG 27 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3cpw h GLN 28 N 0.36 0.82 -0.37 5.56 4.20 -1.68 -0.51 115.11 123.48 3cpw h GLN 28 Ca -0.03 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.64 3cpw h GLN 28 Cb 1.19 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 3cpw h GLN 28 CO 0.01 0.54 0.23 0.78 -0.67 0.00 0.00 178.83 179.73 3cpw h GLY 29 N 0.84 0.52 0.72 3.46 0.00 -1.91 0.13 103.07 106.83 3cpw h GLY 29 Ca 0.51 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.63 3cpw h GLY 29 CO -0.28 0.17 -0.05 -0.55 0.00 0.00 0.00 176.54 175.82 3cpw h ASP 30 N 0.48 0.26 -0.28 0.19 3.32 -1.56 -3.00 116.42 115.83 3cpw h ASP 30 Ca 0.14 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 3cpw h ASP 30 Cb -0.03 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3cpw h ASP 30 CO -0.04 0.61 0.14 0.40 -1.72 0.00 0.00 179.24 178.62 3cpw h ILE 31 N -0.09 1.12 -0.11 0.35 2.04 -1.06 -1.90 117.51 117.86 3cpw h ILE 31 Ca 0.03 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3cpw h ILE 31 Cb 0.51 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3cpw h ILE 31 CO 0.02 0.15 0.03 0.00 0.00 0.00 0.00 178.15 178.34 3cpw h ALA 32 N 1.70 1.84 -0.00 1.87 0.00 -0.60 -0.77 119.26 123.31 3cpw h ALA 32 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3cpw h ALA 32 Cb 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3cpw h ALA 32 CO -0.01 0.13 -0.29 -0.25 0.00 0.00 0.00 179.25 178.82 3cpw n ASP 33 N -4.47 0.46 -4.62 0.00 8.00 -0.73 -4.79 116.55 110.41 3cpw n ASP 33 Ca -0.01 -0.24 -0.43 0.00 0.71 0.00 0.00 54.79 54.82 3cpw n ASP 33 Cb 0.12 0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 3cpw n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cpw s ALA 34 N -2.84 3.12 -0.23 2.24 0.00 -0.30 -4.82 121.76 118.94 3cpw s ALA 34 Ca 0.17 0.48 -0.08 0.00 0.00 0.00 0.00 51.96 52.52 3cpw s ALA 34 Cb 0.19 -3.92 -0.11 0.00 0.00 0.00 0.00 23.12 19.28 3cpw s ALA 34 CO 0.60 -2.20 -0.27 -0.89 0.00 0.00 0.00 175.76 173.00 3cpw n ILE 35 N 6.78 1.26 -2.99 0.00 2.08 -1.26 -4.89 119.36 120.34 3cpw n ILE 35 Ca 0.21 -0.36 -0.21 0.00 0.56 0.00 0.00 62.75 62.95 3cpw n ILE 35 Cb 0.45 -1.68 0.02 0.00 -0.75 0.00 0.00 39.64 37.68 3cpw n ILE 35 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3cpw s THR 36 N -2.43 3.47 0.33 1.39 -4.23 -1.26 -4.99 115.64 107.93 3cpw s THR 36 Ca -0.32 -0.73 0.04 0.00 -1.18 0.00 0.00 61.69 59.50 3cpw s THR 36 Cb 0.11 -3.25 0.16 0.00 1.34 0.00 0.00 72.50 70.86 3cpw s THR 36 CO 0.43 -0.15 1.87 0.03 -0.54 0.00 0.00 174.62 176.26 3cpw h ARG 37 N 0.45 0.55 -0.73 3.99 3.08 -1.97 -2.16 114.38 117.59 3cpw h ARG 37 Ca -0.44 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 59.45 3cpw h ARG 37 Cb 1.27 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 3cpw h ARG 37 CO 0.53 0.57 0.28 1.49 -1.07 0.00 0.00 179.97 181.76 3cpw h GLU 38 N 0.53 1.10 -0.13 0.04 4.57 -1.99 0.36 114.58 119.06 3cpw h GLU 38 Ca 0.11 -0.20 -0.03 0.00 -1.18 0.00 0.00 59.36 58.06 3cpw h GLU 38 Cb 0.32 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 3cpw h GLU 38 CO 0.01 0.90 -0.07 -0.44 -1.18 0.00 0.00 179.01 178.23 3cpw h ASP 39 N 1.07 0.17 -0.03 1.04 3.32 -1.79 -1.40 116.42 118.80 3cpw h ASP 39 Ca 0.24 -0.03 -0.16 0.00 0.02 0.00 0.00 57.03 57.10 3cpw h ASP 39 Cb 0.23 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.74 3cpw h ASP 39 CO -0.02 0.28 -0.62 0.58 -1.72 0.00 0.00 179.24 177.74 3cpw h VAL 40 N 0.19 1.39 -0.47 -1.35 2.07 -0.92 -2.46 116.25 114.70 3cpw h VAL 40 Ca 0.04 -2.02 -0.02 0.00 0.82 0.00 0.00 66.70 65.52 3cpw h VAL 40 Cb 0.25 2.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 3cpw h VAL 40 CO 0.01 0.60 0.22 0.03 0.02 0.00 0.00 177.57 178.46 3cpw h ARG 41 N 0.02 0.65 0.05 1.57 3.08 -0.65 0.11 114.38 119.21 3cpw h ARG 41 Ca -0.07 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 3cpw h ARG 41 Cb 1.31 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3cpw h ARG 41 CO 0.12 0.51 -0.02 1.49 -1.07 0.00 0.00 179.97 181.00 3cpw h GLU 42 N 0.65 -0.06 0.00 0.04 4.81 -1.27 -0.14 114.58 118.61 3cpw h GLU 42 Ca 0.16 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 3cpw h GLU 42 Cb 0.07 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3cpw h GLU 42 CO -0.02 0.18 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.18 3cpw h LEU 43 N -0.30 0.00 -0.30 1.64 3.38 -0.93 -1.51 115.31 117.30 3cpw h LEU 43 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3cpw h LEU 43 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3cpw h LEU 43 CO 0.01 0.18 -0.18 0.58 0.09 0.00 0.00 178.44 179.12 3cpw h VAL 44 N 0.00 1.30 0.00 1.22 2.07 -0.38 -1.23 116.25 119.22 3cpw h VAL 44 Ca -0.00 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 3cpw h VAL 44 Cb 0.34 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3cpw h VAL 44 CO 0.02 0.42 -0.09 0.44 0.02 0.00 0.00 177.57 178.39 3cpw h ASP 45 N 0.40 0.00 0.59 0.57 3.32 -0.19 -0.83 116.42 120.27 3cpw h ASP 45 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3cpw h ASP 45 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 3cpw h ASP 45 CO 0.05 0.09 -0.27 -0.62 -1.72 0.00 0.00 179.24 176.77 3cpw n GLU 46 N -3.39 0.20 -0.98 3.56 1.02 -0.65 -4.92 120.64 115.47 3cpw n GLU 46 Ca -0.01 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 3cpw n GLU 46 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 3cpw n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cpw n GLY 47 N 1.45 0.51 0.15 0.62 0.00 -0.32 -4.89 105.19 102.70 3cpw n GLY 47 Ca 0.08 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.10 3cpw n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cpw h ALA 48 N 0.00 0.87 -3.60 4.61 0.00 -1.46 -3.43 119.26 116.25 3cpw h ALA 48 Ca 0.00 -0.51 -0.68 0.00 0.00 0.00 0.00 54.91 53.72 3cpw h ALA 48 Cb 0.00 -0.09 -0.32 0.00 0.00 0.00 0.00 17.79 17.38 3cpw h ALA 48 CO 0.00 0.70 -0.88 0.42 0.00 0.00 0.00 179.25 179.49 3cpw s ILE 49 N -3.42 2.04 0.11 0.00 1.01 -1.16 -1.09 121.20 118.68 3cpw s ILE 49 Ca 0.00 -1.03 -0.07 0.00 0.00 0.00 0.00 60.65 59.56 3cpw s ILE 49 Cb 0.11 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 3cpw s ILE 49 CO 0.74 0.56 0.17 -1.10 0.00 0.00 0.00 174.94 175.30 3cpw s GLN 50 N 0.15 0.90 -0.20 2.79 -0.21 -0.37 -4.55 119.66 118.18 3cpw s GLN 50 Ca -0.13 -1.12 -0.07 0.00 0.02 0.00 0.00 55.36 54.06 3cpw s GLN 50 Cb -0.16 0.32 -0.03 0.00 1.00 0.00 0.00 33.01 34.13 3cpw s GLN 50 CO 0.07 -0.28 0.05 0.00 -2.12 0.00 0.00 175.29 173.00 3cpw s ALA 51 N -3.92 3.25 0.73 6.09 0.00 -1.26 0.96 121.76 127.60 3cpw s ALA 51 Ca 0.11 -0.89 -0.11 0.00 0.00 0.00 0.00 51.96 51.07 3cpw s ALA 51 Cb 0.05 -1.91 0.03 0.00 0.00 0.00 0.00 23.12 21.30 3cpw s ALA 51 CO -0.06 -0.05 1.08 0.21 0.00 0.00 0.00 175.76 176.94 3cpw s LYS 52 N 0.80 2.56 0.27 0.00 2.47 0.13 -4.96 119.74 121.00 3cpw s LYS 52 Ca 0.03 1.10 -0.20 0.00 -1.56 0.00 0.00 55.97 55.34 3cpw s LYS 52 Cb -0.14 -1.94 -0.09 0.00 -1.46 0.00 0.00 37.83 34.21 3cpw s LYS 52 CO 0.02 -1.41 0.77 -0.51 0.16 0.00 0.00 175.35 174.38 3cpw s ASP 53 N -3.48 7.04 0.33 1.43 1.01 -1.26 -4.95 116.67 116.79 3cpw s ASP 53 Ca 0.60 1.46 -0.14 0.00 0.71 0.00 0.00 52.55 55.18 3cpw s ASP 53 Cb -0.16 -2.44 -0.09 0.00 1.01 0.00 0.00 42.92 41.24 3cpw s ASP 53 CO 0.54 -0.05 0.74 -1.59 0.21 0.00 0.00 175.17 175.03 3cpw s LYS 54 N -2.23 3.97 0.45 8.23 -2.85 -1.26 -5.06 119.74 120.99 3cpw s LYS 54 Ca 0.47 0.64 0.02 0.00 -1.00 0.00 0.00 55.97 56.11 3cpw s LYS 54 Cb -0.15 -2.42 0.01 0.00 -2.06 0.00 0.00 37.83 33.20 3cpw s LYS 54 CO 0.20 0.13 0.65 -1.59 0.10 0.00 0.00 175.35 174.84 3cpw s LYS 55 N -3.10 2.92 -0.00 1.78 -2.85 -1.26 -5.11 119.74 112.11 3cpw s LYS 55 Ca 0.54 -0.73 0.00 0.00 -1.00 0.00 0.00 55.97 54.78 3cpw s LYS 55 Cb -0.10 -2.61 0.00 0.00 -2.06 0.00 0.00 37.83 33.06 3cpw s LYS 55 CO 0.19 -0.32 -0.01 0.20 0.10 0.00 0.00 175.35 175.51 3cpw s GLY 56 N -4.28 0.07 0.36 0.59 0.00 -1.26 -5.13 107.32 97.68 3cpw s GLY 56 Ca 0.51 -0.02 -0.27 0.00 0.00 0.00 0.00 44.72 44.93 3cpw s GLY 56 CO 0.36 0.03 1.26 -1.31 0.00 0.00 0.00 173.10 173.44 3cpw s ASN 57 N 0.08 6.64 0.29 1.64 -0.87 -1.26 -4.98 114.94 116.48 3cpw s ASN 57 Ca -0.01 2.58 -0.29 0.00 -1.57 0.00 0.00 52.86 53.58 3cpw s ASN 57 Cb -0.02 -2.64 -0.10 0.00 -0.02 0.00 0.00 41.25 38.48 3cpw s ASN 57 CO -0.00 -0.62 1.11 -0.44 -2.57 0.00 0.00 177.10 174.58 3cpw s SER 58 N -0.71 7.19 -0.15 -1.22 0.01 -1.26 -4.93 113.70 112.62 3cpw s SER 58 Ca 0.52 2.29 0.18 0.00 1.31 0.00 0.00 55.95 60.25 3cpw s SER 58 Cb -0.37 -2.63 0.41 0.00 0.21 0.00 0.00 66.02 63.64 3cpw s SER 58 CO 0.48 -0.20 1.28 0.54 0.41 0.00 0.00 173.24 175.75 3cpw n ARG 59 N 1.07 2.06 -0.01 12.44 1.74 -1.26 -4.71 116.66 127.99 3cpw n ARG 59 Ca -0.01 -2.71 -0.12 0.00 -0.77 0.00 0.00 57.85 54.24 3cpw n ARG 59 Cb 0.45 -1.67 -0.08 0.00 -1.02 0.00 0.00 32.46 30.14 3cpw n ARG 59 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3cpw h GLY 60 N 0.87 0.08 2.00 -0.13 0.00 -1.99 0.03 103.07 103.93 3cpw h GLY 60 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 3cpw h GLY 60 CO 0.11 0.06 -0.34 3.21 0.00 0.00 0.00 176.54 179.58 3cpw h ARG 61 N -0.25 0.00 -0.17 4.80 3.08 -2.00 -1.86 114.38 117.97 3cpw h ARG 61 Ca 0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3cpw h ARG 61 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3cpw h ARG 61 CO 0.00 0.34 -0.04 0.00 -1.07 0.00 0.00 179.97 179.20 3cpw h ALA 62 N 1.66 0.23 -0.58 0.04 0.00 -1.82 -2.54 119.26 116.25 3cpw h ALA 62 Ca -0.00 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.68 3cpw h ALA 62 Cb 0.60 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3cpw h ALA 62 CO 0.04 -0.01 0.37 0.00 0.00 0.00 0.00 179.25 179.66 3cpw h ARG 63 N 0.03 0.72 -0.68 0.00 3.08 -0.53 0.23 114.38 117.25 3cpw h ARG 63 Ca 0.04 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.07 3cpw h ARG 63 Cb 0.47 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 3cpw h ARG 63 CO 0.02 0.48 0.43 0.93 -1.07 0.00 0.00 179.97 180.76 3cpw h GLU 64 N 0.74 0.84 -0.52 0.04 5.08 -1.32 -0.54 114.58 118.90 3cpw h GLU 64 Ca 0.22 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3cpw h GLU 64 Cb -0.03 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3cpw h GLU 64 CO -0.07 0.56 0.17 -0.09 -1.00 0.00 0.00 179.01 178.57 3cpw h ARG 65 N 0.86 0.80 -0.98 2.33 2.43 -0.94 -2.00 114.38 116.89 3cpw h ARG 65 Ca 0.26 -0.17 0.06 0.00 -0.81 0.00 0.00 59.98 59.32 3cpw h ARG 65 Cb -0.04 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.33 3cpw h ARG 65 CO -0.08 0.74 0.63 1.96 -1.51 0.00 0.00 179.97 181.71 3cpw h GLN 66 N 0.71 1.11 0.48 0.20 4.20 0.01 -1.53 115.11 120.29 3cpw h GLN 66 Ca 0.17 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 3cpw h GLN 66 Cb 0.27 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3cpw h GLN 66 CO -0.01 0.74 -0.23 0.87 -0.67 0.00 0.00 178.83 179.53 3cpw h LYS 67 N 1.15 -0.62 -0.74 1.46 1.57 -0.69 -0.03 116.57 118.66 3cpw h LYS 67 Ca 0.42 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 59.39 3cpw h LYS 67 Cb 0.16 0.14 -0.10 0.00 0.08 0.00 0.00 32.23 32.51 3cpw h LYS 67 CO -0.17 -0.33 0.24 0.87 -0.57 0.00 0.00 179.45 179.49 3cpw h LYS 68 N -0.82 0.35 -0.05 3.15 1.79 -1.10 -0.32 116.57 119.57 3cpw h LYS 68 Ca -0.07 -0.02 -0.15 0.00 -2.18 0.00 0.00 60.65 58.23 3cpw h LYS 68 Cb 0.57 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 3cpw h LYS 68 CO 0.11 0.23 -0.66 0.00 -1.08 0.00 0.00 179.45 178.04 3cpw h ARG 69 N 0.36 0.20 0.00 3.15 3.08 -1.22 0.30 114.38 120.25 3cpw h ARG 69 Ca 0.41 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 60.25 3cpw h ARG 69 Cb 0.67 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 3cpw h ARG 69 CO -0.45 0.79 -0.32 0.00 -1.07 0.00 0.00 179.97 178.92 3cpw h ALA 70 N 1.17 1.39 -0.01 0.04 0.00 0.14 -0.84 119.26 121.16 3cpw h ALA 70 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3cpw h ALA 70 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3cpw h ALA 70 CO 0.10 0.39 -0.04 0.98 0.00 0.00 0.00 179.25 180.68 3cpw n TYR 71 N -4.03 0.00 -0.44 0.00 9.36 -0.24 -4.92 117.16 116.88 3cpw n TYR 71 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 3cpw n TYR 71 Cb 0.37 -0.08 0.00 0.00 -0.63 0.00 0.00 39.34 39.00 3cpw n TYR 71 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3cpw n GLY 72 N 1.16 0.77 3.91 2.98 0.00 -0.32 -5.06 105.19 108.63 3cpw n GLY 72 Ca 0.19 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 3cpw n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cpw s HIS 73 N -2.00 2.99 -1.44 1.61 3.76 0.10 -4.61 115.29 115.70 3cpw s HIS 73 Ca 0.00 -0.27 -0.04 0.00 -0.15 0.00 0.00 55.06 54.60 3cpw s HIS 73 Cb 0.00 -1.90 0.00 0.00 1.11 0.00 0.00 32.58 31.80 3cpw s HIS 73 CO 0.00 0.09 0.56 1.04 -0.85 0.00 0.00 174.74 175.58 3cpw n GLN 74 N -1.50 -4.53 -1.60 1.40 6.02 -1.26 -3.48 117.38 112.43 3cpw n GLN 74 Ca -0.01 0.85 0.02 0.00 -0.01 0.00 0.00 57.00 57.85 3cpw n GLN 74 Cb 0.59 -5.56 0.06 0.00 1.02 0.00 0.00 30.24 26.35 3cpw n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3cpw n LYS 75 N -3.78 0.69 -1.99 -1.09 5.02 -1.26 -4.89 118.16 110.87 3cpw n LYS 75 Ca -0.11 -2.55 -0.29 0.00 -2.02 0.00 0.00 58.31 53.34 3cpw n LYS 75 Cb 0.61 -0.62 0.06 0.00 -0.02 0.00 0.00 35.03 35.06 3cpw n LYS 75 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3cpw s GLY 76 N -2.56 1.62 0.22 0.72 0.00 -1.26 -4.81 107.32 101.25 3cpw s GLY 76 Ca 0.34 -0.52 -0.06 0.00 0.00 0.00 0.00 44.72 44.48 3cpw s GLY 76 CO -0.12 -0.13 1.24 0.00 0.00 0.00 0.00 173.10 174.09 3cpw n ALA 77 N -3.02 0.19 0.22 3.20 0.00 -1.26 0.80 120.51 120.64 3cpw n ALA 77 Ca 0.07 0.88 0.02 0.00 0.00 0.00 0.00 53.44 54.41 3cpw n ALA 77 Cb 0.58 -0.52 0.11 0.00 0.00 0.00 0.00 19.45 19.62 3cpw n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cpw n GLY 78 N -1.50 -0.29 0.00 0.00 0.00 -1.26 -2.05 105.19 100.10 3cpw n GLY 78 Ca 0.13 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.17 3cpw n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3cpw n SER 79 N -1.16 1.64 -4.75 1.61 7.64 0.24 -4.99 113.62 113.84 3cpw n SER 79 Ca 0.02 -0.37 -0.40 0.00 1.01 0.00 0.00 58.87 59.14 3cpw n SER 79 Cb 0.02 1.19 -0.06 0.00 -1.01 0.00 0.00 64.21 64.36 3cpw n SER 79 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3cpw s ARG 80 N -2.19 4.75 0.00 1.43 0.52 -0.87 -4.93 118.95 117.66 3cpw s ARG 80 Ca 0.00 1.39 0.00 0.00 -0.52 0.00 0.00 55.73 56.60 3cpw s ARG 80 Cb 0.06 -3.30 0.00 0.00 0.52 0.00 0.00 34.95 32.23 3cpw s ARG 80 CO 0.36 0.46 0.00 1.17 0.02 0.00 0.00 175.30 177.31 3cpw n LYS 81 N 1.83 1.90 -2.56 3.54 3.00 -1.26 -5.03 118.16 119.59 3cpw n LYS 81 Ca -0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.00 3cpw n LYS 81 Cb 0.48 -0.97 -0.01 0.00 0.00 0.00 0.00 35.03 34.53 3cpw n LYS 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3cpw s GLY 82 N -3.40 1.64 0.80 3.14 0.00 -1.26 -5.06 107.32 103.18 3cpw s GLY 82 Ca 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 44.72 44.26 3cpw s GLY 82 CO 0.00 -0.16 1.12 1.25 0.00 0.00 0.00 173.10 175.30 3cpw s LYS 83 N -4.60 1.91 0.14 2.90 2.47 -1.26 -4.78 119.74 116.52 3cpw s LYS 83 Ca 0.50 1.35 -0.20 0.00 -1.56 0.00 0.00 55.97 56.06 3cpw s LYS 83 Cb -0.10 -1.84 -0.00 0.00 -1.46 0.00 0.00 37.83 34.42 3cpw s LYS 83 CO 0.43 -1.93 1.69 0.00 0.16 0.00 0.00 175.35 175.70 3cpw h ALA 84 N -1.20 0.13 0.00 3.13 0.00 -1.97 -0.97 119.26 118.39 3cpw h ALA 84 Ca -0.44 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3cpw h ALA 84 Cb 1.25 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3cpw h ALA 84 CO 0.48 -0.49 0.00 0.78 0.00 0.00 0.00 179.25 180.02 3cpw h GLY 85 N -0.03 0.00 1.55 0.00 0.00 -1.92 0.02 103.07 102.70 3cpw h GLY 85 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.18 3cpw h GLY 85 CO -0.25 0.00 -1.31 0.00 0.00 0.00 0.00 176.54 174.98 3cpw h ALA 86 N 2.03 0.31 -0.06 3.60 0.00 -1.54 -3.17 119.26 120.43 3cpw h ALA 86 Ca 0.00 -1.03 -0.17 0.00 0.00 0.00 0.00 54.91 53.71 3cpw h ALA 86 Cb 0.10 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3cpw h ALA 86 CO 0.00 1.19 -0.69 0.00 0.00 0.00 0.00 179.25 179.75 3cpw h ARG 87 N 0.04 0.28 -2.61 0.00 3.08 -0.44 -3.42 114.38 111.31 3cpw h ARG 87 Ca -0.15 -0.22 -0.32 0.00 0.07 0.00 0.00 59.98 59.36 3cpw h ARG 87 Cb 1.92 0.04 -0.36 0.00 0.08 0.00 0.00 29.97 31.66 3cpw h ARG 87 CO 0.15 0.86 -0.63 -1.14 -1.07 0.00 0.00 179.97 178.14 3cpw s GLN 88 N -3.61 0.17 -0.09 0.04 0.74 -0.55 -5.11 119.66 111.25 3cpw s GLN 88 Ca -0.04 0.22 -0.29 0.00 0.05 0.00 0.00 55.36 55.30 3cpw s GLN 88 Cb 0.11 -1.16 -0.06 0.00 1.10 0.00 0.00 33.01 33.01 3cpw s GLN 88 CO 0.82 -0.62 1.77 1.21 -0.55 0.00 0.00 175.29 177.91 3cpw s ASN 89 N 2.31 6.43 0.21 6.67 3.84 -1.20 -4.37 114.94 128.83 3cpw s ASN 89 Ca 0.06 2.15 -0.10 0.00 0.21 0.00 0.00 52.86 55.18 3cpw s ASN 89 Cb -0.15 -2.53 0.15 0.00 -0.55 0.00 0.00 41.25 38.16 3cpw s ASN 89 CO -0.11 -1.14 1.82 0.77 -2.79 0.00 0.00 177.10 175.65 3cpw h SER 90 N 10.61 0.94 -0.54 -4.21 4.64 -1.94 -0.80 113.55 122.24 3cpw h SER 90 Ca -0.40 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 60.74 3cpw h SER 90 Cb 1.19 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 3cpw h SER 90 CO 0.96 0.77 0.04 0.50 -0.87 0.00 0.00 176.83 178.23 3cpw h LYS 91 N 1.04 0.97 -0.25 4.77 3.11 -1.97 -1.05 116.57 123.20 3cpw h LYS 91 Ca 0.27 -0.27 -0.10 0.00 -2.81 0.00 0.00 60.65 57.74 3cpw h LYS 91 Cb 0.03 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.14 3cpw h LYS 91 CO -0.04 0.93 -0.26 1.49 -2.81 0.00 0.00 179.45 178.76 3cpw h GLU 92 N 0.90 0.48 -0.27 1.90 4.81 -1.88 -2.14 114.58 118.38 3cpw h GLU 92 Ca 0.17 -0.18 -0.16 0.00 -0.13 0.00 0.00 59.36 59.06 3cpw h GLU 92 Cb 0.47 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 3cpw h GLU 92 CO 0.02 0.70 -0.47 0.22 -0.73 0.00 0.00 179.01 178.75 3cpw h ASP 93 N 0.42 0.89 -0.14 1.04 3.58 -0.72 -2.35 116.42 119.14 3cpw h ASP 93 Ca 0.06 -0.53 -0.06 0.00 0.42 0.00 0.00 57.03 56.92 3cpw h ASP 93 Cb 0.67 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 3cpw h ASP 93 CO 0.05 1.24 -0.10 -0.25 -2.88 0.00 0.00 179.24 177.31 3cpw h TRP 94 N 0.56 0.50 -0.30 0.28 2.91 -1.04 -0.17 115.95 118.69 3cpw h TRP 94 Ca 0.02 -0.07 -0.03 0.00 1.13 0.00 0.00 58.89 59.94 3cpw h TRP 94 Cb 1.07 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.57 3cpw h TRP 94 CO 0.08 0.56 0.08 0.93 -1.03 0.00 0.00 178.44 179.06 3cpw h GLU 95 N 0.44 0.48 0.15 2.65 5.08 -1.24 0.24 114.58 122.38 3cpw h GLU 95 Ca 0.09 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3cpw h GLU 95 Cb 0.44 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3cpw h GLU 95 CO 0.02 0.55 -0.25 1.03 -1.00 0.00 0.00 179.01 179.36 3cpw h SER 96 N 0.33 -0.71 0.90 1.42 0.87 -0.91 -1.39 113.55 114.05 3cpw h SER 96 Ca 0.10 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.69 3cpw h SER 96 Cb 0.28 0.26 0.01 0.00 -0.44 0.00 0.00 62.40 62.52 3cpw h SER 96 CO 0.00 -0.35 -0.43 0.03 -0.53 0.00 0.00 176.83 175.55 3cpw h ARG 97 N -0.48 -1.16 -0.80 2.24 3.08 -0.92 -2.64 114.38 113.70 3cpw h ARG 97 Ca 0.02 0.08 0.10 0.00 0.07 0.00 0.00 59.98 60.26 3cpw h ARG 97 Cb 0.49 0.26 -0.06 0.00 0.08 0.00 0.00 29.97 30.75 3cpw h ARG 97 CO -0.13 -0.77 0.52 0.97 -1.07 0.00 0.00 179.97 179.49 3cpw h ILE 98 N -1.21 0.92 -0.27 2.04 -0.00 -0.94 -0.73 117.51 117.32 3cpw h ILE 98 Ca -0.12 -0.24 -0.11 0.00 -0.00 0.00 0.00 64.86 64.39 3cpw h ILE 98 Cb 0.93 0.16 -0.01 0.00 -0.00 0.00 0.00 36.82 37.89 3cpw h ILE 98 CO 0.20 0.13 -0.29 0.03 -0.00 0.00 0.00 178.15 178.22 3cpw h ARG 99 N 0.70 0.54 -0.21 2.19 3.08 -1.20 -1.12 114.38 118.38 3cpw h ARG 99 Ca 0.38 -0.23 -0.17 0.00 0.07 0.00 0.00 59.98 60.03 3cpw h ARG 99 Cb 0.50 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 3cpw h ARG 99 CO -0.15 0.78 -0.56 0.00 -1.07 0.00 0.00 179.97 178.97 3cpw h ALA 100 N 1.22 0.63 -0.20 0.04 0.00 -0.82 -0.44 119.26 119.69 3cpw h ALA 100 Ca 0.06 -0.52 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 3cpw h ALA 100 Cb 0.74 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3cpw h ALA 100 CO 0.06 0.69 -0.45 1.96 0.00 0.00 0.00 179.25 181.51 3cpw h GLN 101 N 0.49 0.50 0.00 0.00 4.20 -0.98 -1.78 115.11 117.55 3cpw h GLN 101 Ca 0.01 -0.27 -0.21 0.00 0.06 0.00 0.00 58.65 58.24 3cpw h GLN 101 Cb 1.12 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 3cpw h GLN 101 CO 0.11 0.85 -0.90 0.00 -0.67 0.00 0.00 178.83 178.22 3cpw h ARG 102 N 0.41 0.27 -0.31 1.46 3.08 -1.08 -2.48 114.38 115.71 3cpw h ARG 102 Ca 0.03 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 59.69 3cpw h ARG 102 Cb 0.95 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 3cpw h ARG 102 CO 0.08 1.00 -0.21 1.15 -1.07 0.00 0.00 179.97 180.93 3cpw h THR 103 N 0.15 1.26 0.93 2.04 2.02 -0.98 -1.36 112.91 116.97 3cpw h THR 103 Ca -0.06 -1.23 -0.05 0.00 0.77 0.00 0.00 66.41 65.85 3cpw h THR 103 Cb 1.53 1.25 0.01 0.00 -1.74 0.00 0.00 68.15 69.19 3cpw h THR 103 CO 0.14 0.40 -0.45 0.50 0.37 0.00 0.00 175.52 176.49 3cpw h LYS 104 N 0.52 -1.20 -0.13 6.66 1.63 -1.18 -1.67 116.57 121.19 3cpw h LYS 104 Ca 0.08 0.08 0.04 0.00 -0.85 0.00 0.00 60.65 60.00 3cpw h LYS 104 Cb 0.65 0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 32.54 3cpw h LYS 104 CO 0.05 -0.80 0.11 -0.07 -3.45 0.00 0.00 179.45 175.29 3cpw h LEU 105 N -1.30 0.00 -0.52 5.20 3.38 -1.42 -0.84 115.31 119.80 3cpw h LEU 105 Ca -0.13 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 3cpw h LEU 105 Cb 0.96 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3cpw h LEU 105 CO 0.21 0.00 -0.37 -0.09 0.09 0.00 0.00 178.44 178.28 3cpw h ARG 106 N 0.00 0.80 -0.06 1.13 2.43 -0.93 -2.38 114.38 115.36 3cpw h ARG 106 Ca 0.06 -0.40 -0.06 0.00 -0.81 0.00 0.00 59.98 58.77 3cpw h ARG 106 Cb 0.28 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3cpw h ARG 106 CO -0.00 1.03 -0.20 0.93 -1.51 0.00 0.00 179.97 180.22 3cpw h GLU 107 N 0.66 0.25 -0.01 0.20 5.08 -0.23 -3.03 114.58 117.49 3cpw h GLU 107 Ca 0.06 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3cpw h GLU 107 Cb 0.92 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 3cpw h GLU 107 CO 0.08 0.81 0.02 -0.07 -1.00 0.00 0.00 179.01 178.86 3cpw h LEU 108 N -0.26 0.00 0.02 1.33 3.38 -1.32 -0.47 115.31 118.00 3cpw h LEU 108 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3cpw h LEU 108 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3cpw h LEU 108 CO 0.04 0.00 -0.01 -0.09 0.09 0.00 0.00 178.44 178.47 3cpw h ARG 109 N 0.00 -0.03 -0.97 1.13 2.43 -1.34 -1.81 114.38 113.80 3cpw h ARG 109 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3cpw h ARG 109 Cb 0.05 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 3cpw h ARG 109 CO -0.00 0.50 0.62 -0.44 -1.51 0.00 0.00 179.97 179.13 3cpw h ASP 110 N -0.98 1.13 0.00 -3.80 3.32 -1.39 -0.81 116.42 113.88 3cpw h ASP 110 Ca -0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3cpw h ASP 110 Cb 0.54 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3cpw h ASP 110 CO 0.01 0.84 0.03 -0.08 -1.72 0.00 0.00 179.24 178.31 3cpw h GLU 111 N 1.32 0.00 0.00 3.56 4.81 -1.20 -3.46 114.58 119.62 3cpw h GLU 111 Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 3cpw h GLU 111 Cb -0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.26 3cpw h GLU 111 CO -0.07 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.62 3cpw n GLY 112 N -1.26 3.34 0.38 1.92 0.00 -0.31 -4.93 105.19 104.33 3cpw n GLY 112 Ca -0.02 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.15 3cpw n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3cpw h THR 113 N 0.00 0.81 -4.57 2.61 2.02 -1.57 -3.42 112.91 108.80 3cpw h THR 113 Ca 0.00 -0.15 -0.68 0.00 0.77 0.00 0.00 66.41 66.35 3cpw h THR 113 Cb 0.00 0.34 -0.30 0.00 -1.74 0.00 0.00 68.15 66.45 3cpw h THR 113 CO 0.00 0.08 -0.88 -0.76 0.37 0.00 0.00 175.52 174.33 3cpw s LEU 114 N -9.39 2.05 0.38 2.58 1.43 -0.76 -5.02 118.68 109.96 3cpw s LEU 114 Ca -0.08 -0.46 -0.18 0.00 -1.03 0.00 0.00 54.13 52.38 3cpw s LEU 114 Cb 0.21 -1.28 -0.10 0.00 0.03 0.00 0.00 46.19 45.04 3cpw s LEU 114 CO 0.77 0.31 0.86 -0.94 0.23 0.00 0.00 176.35 177.57 3cpw s SER 115 N -0.61 6.88 0.00 2.29 1.04 -1.26 -4.58 113.70 117.46 3cpw s SER 115 Ca 0.10 1.51 0.00 0.00 0.48 0.00 0.00 55.95 58.04 3cpw s SER 115 Cb -0.10 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.56 3cpw s SER 115 CO -0.01 -0.28 0.76 -1.54 0.98 0.00 0.00 173.24 173.15 3cpw n SER 116 N -0.48 0.00 -0.09 7.02 3.41 -1.26 -0.37 113.62 121.85 3cpw n SER 116 Ca 0.05 0.29 -0.11 0.00 -0.26 0.00 0.00 58.87 58.84 3cpw n SER 116 Cb 0.54 -0.29 -0.15 0.00 -0.26 0.00 0.00 64.21 64.05 3cpw n SER 116 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3cpw n SER 117 N -1.26 0.52 0.07 4.04 3.41 -1.26 -2.88 113.62 116.26 3cpw n SER 117 Ca 0.00 0.06 -0.16 0.00 -0.26 0.00 0.00 58.87 58.51 3cpw n SER 117 Cb 0.14 0.54 -0.08 0.00 -0.26 0.00 0.00 64.21 64.55 3cpw n SER 117 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3cpw h GLN 118 N 0.00 0.47 0.35 4.33 4.20 -1.07 -2.40 115.11 120.99 3cpw h GLN 118 Ca -0.50 -0.56 -0.01 0.00 0.06 0.00 0.00 58.65 57.64 3cpw h GLN 118 Cb 2.15 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 30.09 3cpw h GLN 118 CO 0.02 1.20 -0.26 -0.92 -0.67 0.00 0.00 178.83 178.20 3cpw h TYR 119 N 0.24 -0.69 -0.54 2.96 3.20 -1.07 -1.10 116.97 119.97 3cpw h TYR 119 Ca -0.11 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.86 3cpw h TYR 119 Cb 1.71 0.25 -0.09 0.00 1.54 0.00 0.00 36.73 40.15 3cpw h TYR 119 CO 0.08 -0.39 0.03 -0.09 -1.64 0.00 0.00 178.16 176.15 3cpw h ARG 120 N -0.61 0.15 -0.99 1.82 9.65 -1.53 0.21 114.38 123.08 3cpw h ARG 120 Ca -0.03 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.86 3cpw h ARG 120 Cb 0.52 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.02 3cpw h ARG 120 CO 0.00 0.10 0.65 0.22 2.80 0.00 0.00 179.97 183.74 3cpw h ASP 121 N 0.15 1.11 -0.11 -3.80 1.82 -1.08 -0.47 116.42 114.04 3cpw h ASP 121 Ca 0.28 -0.02 -0.19 0.00 -0.39 0.00 0.00 57.03 56.70 3cpw h ASP 121 Cb 0.42 -0.27 0.01 0.00 0.68 0.00 0.00 39.33 40.17 3cpw h ASP 121 CO -0.43 0.79 -0.68 -0.07 -1.61 0.00 0.00 179.24 177.24 3cpw h LEU 122 N 1.31 0.79 -0.21 2.28 3.38 -0.08 -2.95 115.31 119.82 3cpw h LEU 122 Ca 0.37 -0.65 0.03 0.00 0.09 0.00 0.00 57.88 57.72 3cpw h LEU 122 Cb -0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 3cpw h LEU 122 CO -0.10 1.32 0.04 0.22 0.09 0.00 0.00 178.44 180.01 3cpw h TYR 123 N 0.32 0.06 -0.51 1.13 3.20 -0.33 0.20 116.97 121.04 3cpw h TYR 123 Ca -0.05 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 3cpw h TYR 123 Cb 1.32 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.57 3cpw h TYR 123 CO 0.10 0.02 0.31 -0.44 -1.64 0.00 0.00 178.16 176.51 3cpw h ASP 124 N 0.12 0.60 0.49 -2.11 5.19 -1.16 -0.44 116.42 119.10 3cpw h ASP 124 Ca 0.10 -0.03 -0.21 0.00 -0.62 0.00 0.00 57.03 56.28 3cpw h ASP 124 Cb 0.09 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 3cpw h ASP 124 CO -0.13 0.45 -0.89 0.11 -3.12 0.00 0.00 179.24 175.66 3cpw h LYS 125 N 0.69 0.27 0.04 3.56 1.57 -1.17 -2.62 116.57 118.92 3cpw h LYS 125 Ca 0.18 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3cpw h LYS 125 Cb -0.04 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3cpw h LYS 125 CO -0.04 1.00 -0.02 0.00 -0.57 0.00 0.00 179.45 179.83 3cpw h ALA 126 N 0.90 -0.05 0.00 3.86 0.00 0.06 -1.44 119.26 122.59 3cpw h ALA 126 Ca -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3cpw h ALA 126 Cb 1.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3cpw h ALA 126 CO 0.14 -0.43 0.00 0.78 0.00 0.00 0.00 179.25 179.75 3cpw h GLY 127 N -0.25 0.00 -1.14 0.00 0.00 -1.11 0.67 103.07 101.24 3cpw h GLY 127 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3cpw h GLY 127 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 3cpw n GLY 128 N -1.08 0.55 2.76 4.60 0.00 -0.61 -4.96 105.19 106.45 3cpw n GLY 128 Ca -0.02 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 3cpw n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cpw n GLY 129 N 1.24 -0.31 0.07 -0.02 0.00 0.23 -4.96 105.19 101.44 3cpw n GLY 129 Ca 0.17 0.10 0.02 0.00 0.00 0.00 0.00 46.02 46.31 3cpw n GLY 129 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cpw n GLU 130 N -3.06 0.65 -4.19 1.61 -0.58 -0.80 -4.90 120.64 109.37 3cpw n GLU 130 Ca -0.15 0.01 -0.34 0.00 -0.42 0.00 0.00 57.16 56.26 3cpw n GLU 130 Cb 0.61 -1.64 -0.13 0.00 -0.57 0.00 0.00 31.44 29.70 3cpw n GLU 130 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3cpw s PHE 131 N -3.06 2.96 0.27 -0.32 0.40 -1.26 -5.00 117.98 111.96 3cpw s PHE 131 Ca -0.06 -0.66 0.21 0.00 -0.60 0.00 0.00 56.93 55.82 3cpw s PHE 131 Cb 0.10 -2.03 0.95 0.00 0.51 0.00 0.00 43.02 42.56 3cpw s PHE 131 CO 0.85 -0.32 1.86 -0.44 0.70 0.00 0.00 175.22 177.87 3cpw h ASP 132 N 7.46 0.00 -5.22 1.36 3.32 -1.90 -3.47 116.42 117.96 3cpw h ASP 132 Ca -0.35 0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.77 3cpw h ASP 132 Cb 1.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 3cpw h ASP 132 CO 0.60 0.27 0.44 -0.94 -1.72 0.00 0.00 179.24 177.90 3cpw s SER 133 N -6.40 0.02 0.06 6.45 1.04 -1.26 -4.99 113.70 108.62 3cpw s SER 133 Ca -0.01 -0.93 -0.25 0.00 0.48 0.00 0.00 55.95 55.24 3cpw s SER 133 Cb 0.12 0.67 -0.17 0.00 0.10 0.00 0.00 66.02 66.75 3cpw s SER 133 CO 0.65 -1.34 1.59 0.58 0.98 0.00 0.00 173.24 175.70 3cpw h VAL 134 N 2.00 0.94 -0.85 5.02 2.07 -1.91 -1.61 116.25 121.90 3cpw h VAL 134 Ca -0.30 -0.26 0.10 0.00 0.82 0.00 0.00 66.70 67.05 3cpw h VAL 134 Cb 1.23 1.11 -0.07 0.00 -1.52 0.00 0.00 31.29 32.03 3cpw h VAL 134 CO 0.39 0.06 0.50 0.00 0.02 0.00 0.00 177.57 178.54 3cpw h ALA 135 N 0.57 1.23 0.00 1.67 0.00 -1.99 0.65 119.26 121.38 3cpw h ALA 135 Ca -0.02 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3cpw h ALA 135 Cb 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3cpw h ALA 135 CO 0.03 0.12 -0.17 0.22 0.00 0.00 0.00 179.25 179.45 3cpw h ASP 136 N 0.83 0.00 0.00 0.00 3.58 -1.86 -0.47 116.42 118.49 3cpw h ASP 136 Ca 0.41 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.84 3cpw h ASP 136 Cb 0.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.43 3cpw h ASP 136 CO -0.25 0.17 -0.10 0.25 -2.88 0.00 0.00 179.24 176.43 3cpw h LEU 137 N 0.00 0.09 -0.41 2.28 5.85 0.04 -2.92 115.31 120.25 3cpw h LEU 137 Ca -0.00 -0.79 0.06 0.00 0.84 0.00 0.00 57.88 57.99 3cpw h LEU 137 Cb 0.36 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 3cpw h LEU 137 CO 0.02 0.87 0.10 -0.33 -0.34 0.00 0.00 178.44 178.77 3cpw h GLU 138 N -0.68 0.24 -0.58 1.25 5.08 -0.78 -0.20 114.58 118.91 3cpw h GLU 138 Ca -0.01 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.44 3cpw h GLU 138 Cb 0.89 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 30.00 3cpw h GLU 138 CO 0.02 0.16 0.12 0.00 -1.00 0.00 0.00 179.01 178.30 3cpw h ARG 139 N 0.25 0.24 -0.23 2.33 3.08 -1.15 -1.17 114.38 117.74 3cpw h ARG 139 Ca 0.20 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 3cpw h ARG 139 Cb 0.22 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3cpw h ARG 139 CO -0.24 0.16 0.12 -0.92 -1.07 0.00 0.00 179.97 178.02 3cpw h TYR 140 N 0.25 0.31 -0.96 3.04 3.20 -1.13 -2.89 116.97 118.79 3cpw h TYR 140 Ca 0.30 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.37 3cpw h TYR 140 Cb 0.44 -0.10 -0.11 0.00 1.54 0.00 0.00 36.73 38.50 3cpw h TYR 140 CO -0.25 0.28 0.55 0.82 -1.64 0.00 0.00 178.16 177.92 3cpw h ILE 141 N 0.25 0.62 0.00 1.81 2.04 0.15 -0.47 117.51 121.91 3cpw h ILE 141 Ca 0.08 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 3cpw h ILE 141 Cb 0.08 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.08 3cpw h ILE 141 CO -0.01 0.11 -0.05 0.47 0.00 0.00 0.00 178.15 178.67 3cpw n ASP 142 N -4.86 4.66 0.00 1.72 8.00 -0.84 -5.11 116.55 120.12 3cpw n ASP 142 Ca 0.23 -2.25 0.00 0.00 0.71 0.00 0.00 54.79 53.48 3cpw n ASP 142 Cb 0.62 -1.03 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 3cpw n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81