#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djh h ILE 17 N 0.00 1.32 0.00 -0.18 2.04 -1.98 -2.57 117.51 116.14 2djh h ILE 17 Ca 0.00 -1.15 -0.03 0.00 1.00 0.00 0.00 64.86 64.68 2djh h ILE 17 Cb 0.00 1.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 2djh h ILE 17 CO 0.00 0.33 -0.16 -0.65 0.00 0.00 0.00 178.15 177.68 2djh h PRO 18 N -0.04 0.00 -0.01 2.37 0.11 -2.03 -2.77 132.00 129.63 2djh h PRO 18 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2djh h PRO 18 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2djh h PRO 18 CO 0.02 0.16 -0.24 0.41 -0.21 0.00 0.00 178.00 178.14 2djh n GLY 19 N -0.25 -0.74 3.68 -0.55 0.00 -1.18 -4.93 105.19 101.22 2djh n GLY 19 Ca -0.01 -0.37 -0.46 0.00 0.00 0.00 0.00 46.02 45.19 2djh n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2djh n LEU 20 N -0.79 3.32 -4.13 0.99 4.77 -0.98 -4.60 117.00 115.59 2djh n LEU 20 Ca 0.12 1.05 -0.33 0.00 -0.03 0.00 0.00 56.01 56.82 2djh n LEU 20 Cb 0.33 -1.44 -0.16 0.00 -2.33 0.00 0.00 43.42 39.83 2djh n LEU 20 CO 0.26 -0.16 -0.53 -0.54 -1.33 0.00 0.00 177.39 175.09 2djh s LYS 21 N 1.74 3.00 -0.33 3.23 1.02 -0.63 -4.98 119.74 122.80 2djh s LYS 21 Ca 0.82 -0.83 -0.05 0.00 0.02 0.00 0.00 55.97 55.93 2djh s LYS 21 Cb -0.65 -2.58 0.05 0.00 -0.52 0.00 0.00 37.83 34.13 2djh s LYS 21 CO 0.40 -0.20 0.08 0.42 -0.92 0.00 0.00 175.35 175.13 2djh s ILE 22 N 1.28 3.49 1.04 2.17 1.09 -1.26 -0.57 121.20 128.44 2djh s ILE 22 Ca 0.05 -1.28 -0.16 0.00 -1.10 0.00 0.00 60.65 58.15 2djh s ILE 22 Cb -0.13 -3.02 0.22 0.00 -1.06 0.00 0.00 42.46 38.47 2djh s ILE 22 CO -0.12 -0.20 1.19 1.51 -0.10 0.00 0.00 174.94 177.22 2djh s ASP 23 N 1.40 2.34 0.31 3.58 1.47 -1.26 -4.75 116.67 119.77 2djh s ASP 23 Ca -0.02 0.60 0.01 0.00 1.18 0.00 0.00 52.55 54.31 2djh s ASP 23 Cb -0.20 -0.86 0.55 0.00 -0.34 0.00 0.00 42.92 42.07 2djh s ASP 23 CO 0.01 -3.24 1.94 -0.61 0.68 0.00 0.00 175.17 173.95 2djh h GLN 24 N -1.98 0.97 0.29 2.11 4.15 -1.99 -0.42 115.11 118.25 2djh h GLN 24 Ca -0.46 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 58.88 2djh h GLN 24 Cb 1.28 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.76 2djh h GLN 24 CO 0.43 0.64 -0.14 -0.22 -1.93 0.00 0.00 178.83 177.61 2djh h LYS 25 N 1.00 -0.37 -0.72 1.69 3.11 -1.98 -2.24 116.57 117.07 2djh h LYS 25 Ca 0.34 0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 58.17 2djh h LYS 25 Cb 0.10 0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.38 2djh h LYS 25 CO -0.11 -0.18 0.31 0.82 -2.81 0.00 0.00 179.45 177.49 2djh h ILE 26 N -0.49 1.24 -0.57 2.00 1.08 -1.86 -2.79 117.51 116.13 2djh h ILE 26 Ca -0.04 -0.73 0.08 0.00 -0.39 0.00 0.00 64.86 63.79 2djh h ILE 26 Cb 0.37 0.38 -0.07 0.00 -3.07 0.00 0.00 36.82 34.43 2djh h ILE 26 CO 0.06 0.30 0.21 -0.09 -0.69 0.00 0.00 178.15 177.94 2djh h ARG 27 N 1.02 0.38 0.00 2.37 9.65 -0.96 -1.43 114.38 125.40 2djh h ARG 27 Ca 0.24 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 59.06 2djh h ARG 27 Cb 0.17 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.66 2djh h ARG 27 CO -0.02 0.25 -0.20 0.78 2.80 0.00 0.00 179.97 183.57 2djh h GLY 28 N 0.39 0.00 1.74 2.80 0.00 -1.18 -3.11 103.07 103.71 2djh h GLY 28 Ca 0.28 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.43 2djh h GLY 28 CO -0.28 0.00 -0.97 1.46 0.00 0.00 0.00 176.54 176.74 2djh h GLN 29 N 0.00 0.00 -0.65 4.80 4.20 -1.04 -3.39 115.11 119.03 2djh h GLN 29 Ca -0.00 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.81 2djh h GLN 29 Cb 0.63 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.29 2djh h GLN 29 CO 0.03 0.67 -0.38 0.52 -0.67 0.00 0.00 178.83 178.99 2djh h MET 30 N 0.00 -0.16 -0.16 1.46 2.86 -1.27 0.17 114.93 117.83 2djh h MET 30 Ca -0.06 0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 2djh h MET 30 Cb 1.64 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.33 2djh h MET 30 CO 0.09 -0.10 -0.27 -1.00 1.06 0.00 0.00 176.91 176.69 2djh h PRO 31 N -0.16 0.29 -0.03 -0.22 0.13 -1.76 0.60 132.00 130.86 2djh h PRO 31 Ca 0.23 -0.10 -0.13 0.00 -0.87 0.00 0.00 66.00 65.12 2djh h PRO 31 Cb 0.56 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 2djh h PRO 31 CO -0.73 0.54 -0.60 0.93 -0.23 0.00 0.00 178.00 177.91 2djh h GLU 32 N 0.26 0.09 -0.46 0.86 5.08 -1.47 -3.13 114.58 115.81 2djh h GLU 32 Ca 0.04 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2djh h GLU 32 Cb 0.62 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2djh h GLU 32 CO 0.04 0.67 0.00 0.54 -1.00 0.00 0.00 179.01 179.26 2djh n ARG 33 N -3.84 2.57 -1.61 2.33 1.74 0.47 -4.78 116.66 113.54 2djh n ARG 33 Ca -0.02 -2.38 -0.01 0.00 -0.77 0.00 0.00 57.85 54.67 2djh n ARG 33 Cb 0.61 -1.53 -0.00 0.00 -1.02 0.00 0.00 32.46 30.52 2djh n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2djh n GLY 34 N 1.55 0.38 3.33 -0.13 0.00 -0.30 -1.61 105.19 108.41 2djh n GLY 34 Ca 0.21 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 2djh n GLY 34 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2djh s TRP 35 N -2.03 2.66 0.35 1.61 0.52 0.20 -4.95 118.94 117.29 2djh s TRP 35 Ca 0.00 -0.68 0.07 0.00 0.02 0.00 0.00 56.10 55.51 2djh s TRP 35 Cb 0.00 -1.73 -0.03 0.00 -1.15 0.00 0.00 33.47 30.57 2djh s TRP 35 CO 0.00 -0.20 0.31 0.95 0.02 0.00 0.00 176.95 178.03 2djh s THR 36 N 0.07 3.39 0.29 2.01 -4.23 -1.26 -3.83 115.64 112.08 2djh s THR 36 Ca -0.08 -1.35 -0.01 0.00 -1.18 0.00 0.00 61.69 59.07 2djh s THR 36 Cb -0.15 -3.16 0.17 0.00 1.34 0.00 0.00 72.50 70.70 2djh s THR 36 CO 0.05 -0.14 1.85 -0.08 -0.54 0.00 0.00 174.62 175.76 2djh h GLU 37 N 1.20 0.82 -0.70 3.99 4.81 -2.00 -1.97 114.58 120.73 2djh h GLU 37 Ca -0.44 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 58.59 2djh h GLU 37 Cb 1.26 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 2djh h GLU 37 CO 0.58 0.72 0.26 -0.44 -0.73 0.00 0.00 179.01 179.40 2djh h ASP 38 N 0.80 0.96 -0.13 1.04 3.32 -1.99 -1.79 116.42 118.63 2djh h ASP 38 Ca 0.18 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.10 2djh h ASP 38 Cb 0.25 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2djh h ASP 38 CO -0.01 0.86 0.05 0.44 -1.72 0.00 0.00 179.24 178.86 2djh h ASP 39 N 1.01 0.06 -0.42 6.45 3.45 -1.76 0.99 116.42 126.20 2djh h ASP 39 Ca 0.23 0.01 0.04 0.00 0.43 0.00 0.00 57.03 57.75 2djh h ASP 39 Cb 0.22 -0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.95 2djh h ASP 39 CO -0.02 0.06 0.18 0.40 -1.57 0.00 0.00 179.24 178.29 2djh h ILE 40 N 0.11 0.92 -0.52 0.35 2.04 -1.05 0.29 117.51 119.66 2djh h ILE 40 Ca 0.05 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 2djh h ILE 40 Cb 0.02 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2djh h ILE 40 CO -0.05 0.07 0.07 0.11 0.00 0.00 0.00 178.15 178.35 2djh h LYS 41 N 0.36 0.86 -0.79 2.37 1.57 -1.06 -1.44 116.57 118.44 2djh h LYS 41 Ca 0.19 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 2djh h LYS 41 Cb 0.14 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2djh h LYS 41 CO -0.16 0.85 0.31 -0.91 -0.57 0.00 0.00 179.45 178.97 2djh h ASN 42 N 0.74 1.09 -0.47 0.86 2.35 -0.39 0.10 115.58 119.87 2djh h ASN 42 Ca 0.16 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.66 2djh h ASN 42 Cb 0.42 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 2djh h ASN 42 CO 0.01 0.97 0.03 0.74 -1.65 0.00 0.00 177.43 177.54 2djh h THR 43 N 1.15 1.26 -0.58 2.81 2.02 -0.76 -2.67 112.91 116.14 2djh h THR 43 Ca 0.26 -1.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.39 2djh h THR 43 Cb 0.23 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 2djh h THR 43 CO -0.02 0.35 0.14 0.58 0.37 0.00 0.00 175.52 176.94 2djh h VAL 44 N 0.66 1.24 0.00 3.16 2.07 -0.96 -2.15 116.25 120.27 2djh h VAL 44 Ca 0.14 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2djh h VAL 44 Cb 0.46 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2djh h VAL 44 CO 0.02 0.32 0.00 0.28 0.02 0.00 0.00 177.57 178.21 2djh h SER 45 N 0.86 0.00 0.00 0.57 0.02 -0.67 -1.86 113.55 112.48 2djh h SER 45 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2djh h SER 45 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2djh h SER 45 CO -0.00 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.28 2djh n ASN 46 N -2.88 0.00 0.00 3.07 5.03 -0.81 -4.99 115.26 114.69 2djh n ASN 46 Ca -0.01 -0.87 0.00 0.00 0.87 0.00 0.00 54.58 54.57 2djh n ASN 46 Cb 0.17 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.93 2djh n ASN 46 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2djh n GLY 47 N 0.65 0.05 3.76 7.41 0.00 -0.70 -4.96 105.19 111.40 2djh n GLY 47 Ca 0.19 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 2djh n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2djh s ALA 48 N -2.93 3.64 0.00 4.61 0.00 -1.26 -4.49 121.76 121.32 2djh s ALA 48 Ca 0.00 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.45 2djh s ALA 48 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2djh s ALA 48 CO 0.00 -0.92 0.63 0.25 0.00 0.00 0.00 175.76 175.72 2djh n THR 49 N 1.50 0.38 0.00 0.00 -2.24 0.73 -4.99 114.28 109.65 2djh n THR 49 Ca 0.05 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2djh n THR 49 Cb 0.39 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 2djh n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2djh n GLY 50 N -0.19 -0.75 3.43 3.38 0.00 -1.03 -1.23 105.19 108.80 2djh n GLY 50 Ca 0.00 -1.04 -0.21 0.00 0.00 0.00 0.00 46.02 44.77 2djh n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2djh s THR 51 N -2.00 1.32 0.00 2.61 -4.23 -0.46 -0.76 115.64 112.11 2djh s THR 51 Ca 0.00 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 2djh s THR 51 Cb 0.00 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.21 2djh s THR 51 CO 0.00 -0.14 0.00 -0.24 -0.54 0.00 0.00 174.62 173.70 2djh n SER 52 N -0.62 0.00 -3.85 3.99 2.88 0.02 -0.30 113.62 115.74 2djh n SER 52 Ca -0.04 -0.60 -0.15 0.00 -1.33 0.00 0.00 58.87 56.76 2djh n SER 52 Cb 0.65 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.96 2djh n SER 52 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2djh s PHE 53 N -5.27 0.19 -0.54 0.66 0.40 -1.26 -0.42 117.98 111.74 2djh s PHE 53 Ca 0.00 0.01 -0.19 0.00 -0.60 0.00 0.00 56.93 56.15 2djh s PHE 53 Cb 0.00 -0.23 0.07 0.00 0.51 0.00 0.00 43.02 43.37 2djh s PHE 53 CO 0.00 -0.06 0.68 0.34 0.70 0.00 0.00 175.22 176.88 2djh s ASP 54 N 0.54 6.21 -0.28 1.36 3.68 0.18 -4.86 116.67 123.50 2djh s ASP 54 Ca -0.05 -1.05 0.08 0.00 2.13 0.00 0.00 52.55 53.66 2djh s ASP 54 Cb -0.08 -2.31 0.45 0.00 -1.45 0.00 0.00 42.92 39.54 2djh s ASP 54 CO -0.01 -1.01 1.31 0.29 0.13 0.00 0.00 175.17 175.88 2djh n LYS 55 N 6.37 2.40 -1.67 4.34 4.76 -1.26 -1.79 118.16 131.32 2djh n LYS 55 Ca -0.07 -3.59 -0.40 0.00 -2.87 0.00 0.00 58.31 51.38 2djh n LYS 55 Cb 0.45 -1.93 0.02 0.00 -1.84 0.00 0.00 35.03 31.73 2djh n LYS 55 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2djh n ARG 56 N -0.97 1.59 -1.80 1.97 1.74 -1.25 -4.74 116.66 113.20 2djh n ARG 56 Ca 0.33 0.58 -0.31 0.00 -0.77 0.00 0.00 57.85 57.68 2djh n ARG 56 Cb 0.86 -2.28 0.02 0.00 -1.02 0.00 0.00 32.46 30.04 2djh n ARG 56 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2djh s SER 57 N -0.74 5.95 0.23 0.55 1.04 -1.26 -1.64 113.70 117.83 2djh s SER 57 Ca 0.65 1.43 -0.10 0.00 0.48 0.00 0.00 55.95 58.41 2djh s SER 57 Cb -0.50 -2.42 0.33 0.00 0.10 0.00 0.00 66.02 63.54 2djh s SER 57 CO 0.55 -1.06 1.63 -0.65 0.98 0.00 0.00 173.24 174.70 2djh h PRO 58 N -0.45 0.05 -0.14 4.02 0.11 -1.84 -1.15 132.00 132.60 2djh h PRO 58 Ca -0.44 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.71 2djh h PRO 58 Cb 1.20 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2djh h PRO 58 CO 0.61 0.03 0.18 1.57 -0.21 0.00 0.00 178.00 180.19 2djh h LYS 59 N 0.05 0.00 -0.47 1.05 2.10 -1.94 -2.25 116.57 115.11 2djh h LYS 59 Ca 0.36 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.95 2djh h LYS 59 Cb 0.59 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.88 2djh h LYS 59 CO -0.66 0.00 0.05 1.63 -2.00 0.00 0.00 179.45 178.47 2djh n LYS 60 N -3.67 3.71 -3.25 0.07 5.02 -0.44 -4.71 118.16 114.90 2djh n LYS 60 Ca 0.01 -3.03 -0.25 0.00 -2.02 0.00 0.00 58.31 53.01 2djh n LYS 60 Cb 0.29 -2.07 -0.06 0.00 -0.02 0.00 0.00 35.03 33.17 2djh n LYS 60 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2djh n THR 61 N -0.09 1.40 -1.95 -0.18 -2.24 -0.85 -4.89 114.28 105.48 2djh n THR 61 Ca 0.28 -4.90 -0.32 0.00 -2.27 0.00 0.00 64.05 56.85 2djh n THR 61 Cb 1.11 -1.73 0.02 0.00 -2.10 0.00 0.00 70.33 67.62 2djh n THR 61 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2djh s PRO 62 N -2.31 3.31 0.00 -0.78 0.04 -1.26 0.83 135.00 134.83 2djh s PRO 62 Ca 0.40 1.08 0.23 0.00 0.04 0.00 0.00 61.00 62.75 2djh s PRO 62 Cb 0.20 -2.04 0.83 0.00 0.04 0.00 0.00 34.50 33.54 2djh s PRO 62 CO -0.07 -0.80 1.61 -0.35 0.04 0.00 0.00 177.00 177.42 2djh n PRO 63 N -2.31 1.74 0.05 0.56 -0.04 -1.26 -4.79 135.00 128.95 2djh n PRO 63 Ca 0.08 -1.10 -0.17 0.00 -0.04 0.00 0.00 63.50 62.26 2djh n PRO 63 Cb 0.53 -1.43 -0.14 0.00 -0.04 0.00 0.00 33.50 32.42 2djh n PRO 63 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2djh h ASP 64 N 2.38 0.39 -5.22 3.54 2.03 -1.94 -3.48 116.42 114.12 2djh h ASP 64 Ca 0.00 -0.59 -0.41 0.00 -0.73 0.00 0.00 57.03 55.30 2djh h ASP 64 Cb 0.52 -0.13 0.09 0.00 -0.83 0.00 0.00 39.33 38.98 2djh h ASP 64 CO 0.00 1.50 -0.65 -1.22 -1.03 0.00 0.00 179.24 177.85 2djh n TYR 65 N -3.44 -2.41 0.57 4.15 4.02 0.24 -4.90 117.16 115.40 2djh n TYR 65 Ca -0.19 0.77 0.07 0.00 -0.01 0.00 0.00 57.90 58.54 2djh n TYR 65 Cb 1.05 -4.70 0.07 0.00 -0.02 0.00 0.00 39.34 35.74 2djh n TYR 65 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2djh n LEU 66 N -4.52 2.27 0.00 7.72 4.77 -1.26 -4.60 117.00 121.39 2djh n LEU 66 Ca -0.05 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 2djh n LEU 66 Cb 0.59 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2djh n LEU 66 CO 0.57 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 2djh n GLY 67 N 0.83 -0.72 3.23 -0.72 0.00 -1.26 -4.71 105.19 101.84 2djh n GLY 67 Ca 0.09 -1.68 -0.17 0.00 0.00 0.00 0.00 46.02 44.26 2djh n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2djh s ARG 68 N -2.16 0.99 -0.41 1.61 1.81 -0.65 -4.94 118.95 115.20 2djh s ARG 68 Ca 0.00 -1.22 0.10 0.00 -1.72 0.00 0.00 55.73 52.88 2djh s ARG 68 Cb 0.00 -0.84 0.36 0.00 -0.45 0.00 0.00 34.95 34.02 2djh s ARG 68 CO 0.00 0.16 1.01 -1.71 -0.68 0.00 0.00 175.30 174.08 2djh n ASN 69 N 0.54 -0.86 -4.22 0.23 4.05 -1.06 -3.94 115.26 110.00 2djh n ASN 69 Ca -0.16 -3.19 -0.19 0.00 0.45 0.00 0.00 54.58 51.49 2djh n ASN 69 Cb 0.57 0.72 -0.12 0.00 1.23 0.00 0.00 39.78 42.18 2djh n ASN 69 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 2djh s ASP 70 N -1.83 1.94 0.62 1.20 1.01 -0.74 -4.97 116.67 113.90 2djh s ASP 70 Ca 0.28 -0.72 -0.17 0.00 0.71 0.00 0.00 52.55 52.65 2djh s ASP 70 Cb 0.34 -0.07 -0.02 0.00 1.01 0.00 0.00 42.92 44.18 2djh s ASP 70 CO -0.06 -0.10 1.14 -2.16 0.21 0.00 0.00 175.17 174.21 2djh s PRO 71 N -2.24 2.95 0.11 8.23 0.04 -1.26 0.49 135.00 143.32 2djh s PRO 71 Ca 0.05 1.57 -0.01 0.00 0.04 0.00 0.00 61.00 62.65 2djh s PRO 71 Cb -0.07 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2djh s PRO 71 CO 0.03 -1.16 0.03 0.00 0.04 0.00 0.00 177.00 175.94 2djh s ALA 72 N -1.99 0.77 -0.01 8.56 0.00 0.44 -1.50 121.76 128.03 2djh s ALA 72 Ca 0.71 -1.40 0.05 0.00 0.00 0.00 0.00 51.96 51.33 2djh s ALA 72 Cb -0.24 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 2djh s ALA 72 CO 0.35 -0.46 -0.17 0.99 0.00 0.00 0.00 175.76 176.48 2djh s THR 73 N -4.02 2.86 -0.10 0.00 2.01 0.39 -0.80 115.64 115.99 2djh s THR 73 Ca 0.20 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.24 2djh s THR 73 Cb 0.08 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.41 2djh s THR 73 CO -0.01 0.48 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.65 2djh s VAL 74 N -0.80 3.74 0.08 3.82 1.01 0.06 -0.73 120.40 127.58 2djh s VAL 74 Ca 0.13 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.73 2djh s VAL 74 Cb -0.10 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 2djh s VAL 74 CO 0.02 0.57 -0.19 -0.31 0.00 0.00 0.00 175.10 175.19 2djh s TYR 75 N -0.42 1.67 0.00 5.22 1.51 -0.30 -0.19 117.35 124.85 2djh s TYR 75 Ca 0.06 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 2djh s TYR 75 Cb -0.12 -0.94 0.00 0.00 -0.11 0.00 0.00 41.96 40.79 2djh s TYR 75 CO 0.02 0.15 0.00 0.41 -1.11 0.00 0.00 175.55 175.02 2djh n GLY 76 N 1.34 -0.03 3.24 0.71 0.00 -1.26 -1.20 105.19 107.99 2djh n GLY 76 Ca -0.19 -1.83 -0.12 0.00 0.00 0.00 0.00 46.02 43.88 2djh n GLY 76 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2djh s SER 77 N -4.00 0.22 0.16 1.61 1.04 -0.35 -4.79 113.70 107.59 2djh s SER 77 Ca 0.00 -1.38 -0.34 0.00 0.48 0.00 0.00 55.95 54.71 2djh s SER 77 Cb 0.00 0.41 -0.15 0.00 0.10 0.00 0.00 66.02 66.37 2djh s SER 77 CO 0.00 -0.88 1.34 -2.65 0.98 0.00 0.00 173.24 172.03 2djh n PRO 78 N -0.30 1.49 0.00 4.02 -0.02 -1.26 -0.48 135.00 138.45 2djh n PRO 78 Ca 0.02 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2djh n PRO 78 Cb 0.65 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2djh n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2djh n GLY 79 N 2.45 3.01 2.30 -1.23 0.00 -1.26 -4.83 105.19 105.63 2djh n GLY 79 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 2djh n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2djh n LYS 80 N -2.00 0.83 -4.24 1.61 5.02 0.37 -4.09 118.16 115.65 2djh n LYS 80 Ca 0.00 -3.43 -0.14 0.00 -2.02 0.00 0.00 58.31 52.72 2djh n LYS 80 Cb 0.00 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.41 2djh n LYS 80 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2djh s TYR 81 N -1.01 1.28 -0.05 2.13 1.13 -1.18 -1.21 117.35 118.44 2djh s TYR 81 Ca 0.35 -1.26 0.01 0.00 -1.41 0.00 0.00 57.07 54.76 2djh s TYR 81 Cb 0.12 -0.69 0.02 0.00 -1.10 0.00 0.00 41.96 40.31 2djh s TYR 81 CO -0.13 -0.47 -0.07 0.08 -2.51 0.00 0.00 175.55 172.45 2djh s VAL 82 N -3.95 0.74 -0.14 -3.49 1.01 -0.34 -1.80 120.40 112.43 2djh s VAL 82 Ca 0.36 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 2djh s VAL 82 Cb 0.07 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 2djh s VAL 82 CO 0.11 0.27 -0.04 -0.69 0.00 0.00 0.00 175.10 174.76 2djh s VAL 83 N 0.91 3.92 -0.09 2.92 1.01 -0.28 -1.15 120.40 127.64 2djh s VAL 83 Ca -0.11 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.54 2djh s VAL 83 Cb -0.15 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.54 2djh s VAL 83 CO 0.01 0.51 -0.16 -0.69 0.00 0.00 0.00 175.10 174.77 2djh s VAL 84 N 0.13 1.48 0.00 2.92 1.01 0.10 0.35 120.40 126.40 2djh s VAL 84 Ca -0.01 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 2djh s VAL 84 Cb -0.14 -1.33 -0.07 0.00 0.00 0.00 0.00 36.38 34.84 2djh s VAL 84 CO 0.03 0.43 1.64 0.21 0.00 0.00 0.00 175.10 177.42 2djh s ASN 85 N 0.73 6.65 0.40 3.32 3.04 -0.15 -0.46 114.94 128.47 2djh s ASN 85 Ca -0.12 2.34 0.11 0.00 0.04 0.00 0.00 52.86 55.22 2djh s ASN 85 Cb -0.16 -2.55 0.82 0.00 -1.54 0.00 0.00 41.25 37.83 2djh s ASN 85 CO 0.03 -0.90 1.93 0.44 -3.04 0.00 0.00 177.10 175.56 2djh h ASP 86 N 8.95 0.17 0.06 -4.21 3.32 -1.59 0.16 116.42 123.29 2djh h ASP 86 Ca -0.41 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.52 2djh h ASP 86 Cb 1.19 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.70 2djh h ASP 86 CO 0.94 0.34 -0.40 -0.09 -1.72 0.00 0.00 179.24 178.31 2djh h ARG 87 N 0.17 0.13 0.00 3.56 2.43 -1.92 -3.39 114.38 115.36 2djh h ARG 87 Ca 0.03 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2djh h ARG 87 Cb 0.38 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2djh h ARG 87 CO 0.02 1.11 -1.31 0.25 -1.51 0.00 0.00 179.97 178.53 2djh n THR 88 N -4.38 0.34 -0.96 0.20 -2.24 -1.23 -4.97 114.28 101.05 2djh n THR 88 Ca -0.12 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 2djh n THR 88 Cb 0.64 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 2djh n THR 88 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2djh n GLY 89 N 1.24 0.70 3.78 3.38 0.00 0.57 -4.80 105.19 110.07 2djh n GLY 89 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2djh n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2djh s GLU 90 N -0.18 4.07 -0.40 1.61 2.02 -1.25 -1.60 118.70 122.97 2djh s GLU 90 Ca 0.00 1.53 -0.29 0.00 0.02 0.00 0.00 54.97 56.23 2djh s GLU 90 Cb 0.00 -2.48 0.02 0.00 0.10 0.00 0.00 34.13 31.77 2djh s GLU 90 CO 0.00 -0.22 1.15 0.08 0.02 0.00 0.00 175.26 176.29 2djh s VAL 91 N -1.68 4.29 0.07 2.63 1.01 0.26 -0.98 120.40 126.00 2djh s VAL 91 Ca 0.59 1.40 -0.16 0.00 0.00 0.00 0.00 61.98 63.81 2djh s VAL 91 Cb -0.22 -4.47 -0.17 0.00 0.00 0.00 0.00 36.38 31.52 2djh s VAL 91 CO 0.28 -0.76 1.26 0.74 0.00 0.00 0.00 175.10 176.62 2djh h THR 92 N 6.04 1.33 -2.07 3.92 2.02 -0.44 -3.45 112.91 120.25 2djh h THR 92 Ca -0.23 -1.89 -0.00 0.00 0.77 0.00 0.00 66.41 65.06 2djh h THR 92 Cb 1.07 2.10 -0.19 0.00 -1.74 0.00 0.00 68.15 69.39 2djh h THR 92 CO 1.08 0.58 0.32 -1.58 0.37 0.00 0.00 175.52 176.29 2djh s GLN 93 N -3.71 0.95 -0.08 6.66 0.74 -1.19 -4.99 119.66 118.05 2djh s GLN 93 Ca -0.12 0.06 0.02 0.00 0.05 0.00 0.00 55.36 55.37 2djh s GLN 93 Cb 0.07 0.45 0.01 0.00 1.10 0.00 0.00 33.01 34.64 2djh s GLN 93 CO 0.86 -0.33 -0.12 0.96 -0.55 0.00 0.00 175.29 176.11 2djh s ILE 94 N -1.77 1.17 0.75 -2.34 -4.36 -1.26 -1.13 121.20 112.26 2djh s ILE 94 Ca -0.05 -0.47 -0.11 0.00 -0.26 0.00 0.00 60.65 59.75 2djh s ILE 94 Cb -0.00 -1.08 0.05 0.00 1.25 0.00 0.00 42.46 42.67 2djh s ILE 94 CO 0.02 0.37 1.10 -0.94 0.24 0.00 0.00 174.94 175.73 2djh s SER 95 N 0.84 4.56 -0.72 4.36 1.04 -0.74 -4.95 113.70 118.09 2djh s SER 95 Ca -0.11 1.88 -0.22 0.00 0.48 0.00 0.00 55.95 57.98 2djh s SER 95 Cb -0.15 -2.53 0.07 0.00 0.10 0.00 0.00 66.02 63.51 2djh s SER 95 CO 0.02 -2.00 1.03 -0.62 0.98 0.00 0.00 173.24 172.65 2djh s ASP 96 N -3.18 6.25 0.33 7.02 -1.08 -1.26 -4.79 116.67 119.95 2djh s ASP 96 Ca 0.63 -1.11 0.25 0.00 -0.52 0.00 0.00 52.55 51.80 2djh s ASP 96 Cb -0.18 -2.43 1.17 0.00 -1.46 0.00 0.00 42.92 40.01 2djh s ASP 96 CO 0.53 -1.43 1.76 0.11 0.52 0.00 0.00 175.17 176.67 2djh h LYS 97 N 9.52 0.00 -0.01 4.34 1.57 -1.45 -2.02 116.57 128.52 2djh h LYS 97 Ca -0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2djh h LYS 97 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2djh h LYS 97 CO 1.19 0.00 -0.04 0.25 -0.57 0.00 0.00 179.45 180.28 2djh n THR 98 N -2.38 0.00 -3.71 -0.16 -2.24 -1.26 -4.68 114.28 99.85 2djh n THR 98 Ca 0.01 -0.15 -0.38 0.00 -2.27 0.00 0.00 64.05 61.25 2djh n THR 98 Cb 0.17 0.17 -0.11 0.00 -2.10 0.00 0.00 70.33 68.46 2djh n THR 98 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2djh s ASP 99 N -2.11 5.39 0.39 3.42 -1.08 -0.76 -4.95 116.67 116.97 2djh s ASP 99 Ca 0.38 -1.66 0.28 0.00 -0.52 0.00 0.00 52.55 51.04 2djh s ASP 99 Cb 0.21 -1.89 1.29 0.00 -1.46 0.00 0.00 42.92 41.07 2djh s ASP 99 CO 0.38 -0.50 1.85 1.55 0.52 0.00 0.00 175.17 178.97 2djh h PRO 100 N 8.22 0.00 -0.65 4.34 0.13 -1.85 -2.18 132.00 140.02 2djh h PRO 100 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2djh h PRO 100 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2djh h PRO 100 CO 0.70 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.88 2djh n GLY 101 N -0.39 2.27 3.69 1.56 0.00 -1.26 -4.98 105.19 106.09 2djh n GLY 101 Ca 0.00 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 2djh n GLY 101 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2djh n TRP 102 N 1.17 2.57 -3.62 1.61 -0.00 -0.82 -4.97 117.44 113.38 2djh n TRP 102 Ca 0.23 -0.02 -0.38 0.00 -0.00 0.00 0.00 57.50 57.32 2djh n TRP 102 Cb 0.70 -2.68 -0.11 0.00 -0.00 0.00 0.00 31.31 29.22 2djh n TRP 102 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 2djh s VAL 103 N 2.18 5.22 0.47 5.87 1.01 -1.26 -4.70 120.40 129.18 2djh s VAL 103 Ca 0.81 0.14 -0.23 0.00 0.00 0.00 0.00 61.98 62.69 2djh s VAL 103 Cb -0.54 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 2djh s VAL 103 CO 0.37 0.27 1.06 0.47 0.00 0.00 0.00 175.10 177.28 2djh n ASP 104 N 4.93 1.45 -4.68 3.32 8.00 -1.26 -4.89 116.55 123.41 2djh n ASP 104 Ca -0.14 0.99 -0.39 0.00 0.71 0.00 0.00 54.79 55.96 2djh n ASP 104 Cb 0.52 -1.40 0.03 0.00 -0.02 0.00 0.00 41.12 40.26 2djh n ASP 104 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2djh n ASP 105 N 0.12 1.99 0.29 -2.24 -0.08 -1.26 -4.87 116.55 110.51 2djh n ASP 105 Ca 0.10 0.97 0.20 0.00 -1.51 0.00 0.00 54.79 54.55 2djh n ASP 105 Cb 0.41 -1.48 1.00 0.00 2.34 0.00 0.00 41.12 43.39 2djh n ASP 105 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2djh h SER 106 N 1.36 0.00 0.90 1.67 4.64 -2.01 -2.73 113.55 117.38 2djh h SER 106 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2djh h SER 106 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2djh h SER 106 CO 0.56 0.00 -0.42 0.54 -0.87 0.00 0.00 176.83 176.64 2djh n ARG 107 N -2.92 0.19 -2.27 4.77 1.74 -1.26 -4.89 116.66 112.02 2djh n ARG 107 Ca -0.02 0.08 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 2djh n ARG 107 Cb 0.12 -1.64 -0.03 0.00 -1.02 0.00 0.00 32.46 29.88 2djh n ARG 107 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2djh s ILE 108 N -3.10 3.57 -0.32 0.55 1.01 -1.03 -4.17 121.20 117.71 2djh s ILE 108 Ca 0.09 1.14 0.04 0.00 0.00 0.00 0.00 60.65 61.91 2djh s ILE 108 Cb 0.15 -3.73 0.09 0.00 0.01 0.00 0.00 42.46 38.98 2djh s ILE 108 CO 0.67 0.09 0.02 -1.10 0.00 0.00 0.00 174.94 174.62 2djh s GLN 109 N 1.00 1.62 0.34 2.79 -0.21 0.59 -5.00 119.66 120.79 2djh s GLN 109 Ca 0.62 -1.73 -0.28 0.00 0.02 0.00 0.00 55.36 53.99 2djh s GLN 109 Cb -0.34 -3.10 -0.09 0.00 1.00 0.00 0.00 33.01 30.48 2djh s GLN 109 CO 0.30 -0.86 1.20 -1.58 -2.12 0.00 0.00 175.29 172.24 2djh s TRP 110 N 0.97 3.21 -2.18 0.91 0.52 -1.26 -1.36 118.94 119.75 2djh s TRP 110 Ca 0.06 1.54 0.31 0.00 0.02 0.00 0.00 56.10 58.03 2djh s TRP 110 Cb -0.19 -3.47 1.59 0.00 -1.15 0.00 0.00 33.47 30.25 2djh s TRP 110 CO -0.08 -1.30 2.05 0.41 0.02 0.00 0.00 176.95 178.06