#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d8b n LEU 12 N 0.00 0.00 -0.76 4.31 4.77 -1.26 -2.26 117.00 121.80 1d8b n LEU 12 Ca 0.00 0.43 0.04 0.00 -0.03 0.00 0.00 56.01 56.45 1d8b n LEU 12 Cb 0.00 -0.43 0.15 0.00 -2.33 0.00 0.00 43.42 40.82 1d8b n LEU 12 CO 0.00 -0.15 0.58 -3.20 -1.33 0.00 0.00 177.39 173.29 1d8b n ASN 13 N -1.43 2.16 0.29 -1.43 2.85 -1.26 -4.11 115.26 112.34 1d8b n ASN 13 Ca 0.06 -2.14 0.20 0.00 -0.11 0.00 0.00 54.58 52.59 1d8b n ASN 13 Cb 0.20 -0.34 1.04 0.00 1.24 0.00 0.00 39.78 41.92 1d8b n ASN 13 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1d8b h ASN 14 N 1.81 0.00 -0.30 1.20 -1.07 -1.92 -1.82 115.58 113.49 1d8b h ASN 14 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 56.30 56.43 1d8b h ASN 14 Cb 0.67 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.91 1d8b h ASN 14 CO 0.07 0.00 0.21 0.25 0.07 0.00 0.00 177.43 178.03 1d8b h LEU 15 N 0.00 0.13 -0.71 6.14 6.46 -1.87 -0.12 115.31 125.34 1d8b h LEU 15 Ca 0.00 -0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.66 1d8b h LEU 15 Cb 0.03 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 1d8b h LEU 15 CO 0.00 0.08 -0.05 -0.09 -0.62 0.00 0.00 178.44 177.76 1d8b h ARG 16 N 0.15 0.95 -0.32 1.25 2.43 -1.68 -2.19 114.38 114.96 1d8b h ARG 16 Ca 0.13 -0.31 -0.10 0.00 -0.81 0.00 0.00 59.98 58.89 1d8b h ARG 16 Cb 0.35 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1d8b h ARG 16 CO -0.02 0.97 -0.23 1.98 -1.51 0.00 0.00 179.97 181.16 1d8b h MET 17 N 0.86 0.62 0.19 0.20 4.05 -1.20 -1.52 114.93 118.13 1d8b h MET 17 Ca 0.15 -0.24 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 1d8b h MET 17 Cb 0.58 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1d8b h MET 17 CO 0.03 0.80 -0.09 1.15 0.23 0.00 0.00 176.91 179.03 1d8b h THR 18 N 0.55 0.82 -0.69 -0.77 2.02 -1.00 0.31 112.91 114.15 1d8b h THR 18 Ca 0.08 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 1d8b h THR 18 Cb 0.69 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1d8b h THR 18 CO 0.05 0.01 0.34 0.22 0.37 0.00 0.00 175.52 176.51 1d8b h TYR 19 N -0.28 0.99 -0.27 3.16 3.20 -1.32 -0.93 116.97 121.52 1d8b h TYR 19 Ca -0.03 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1d8b h TYR 19 Cb 0.22 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1d8b h TYR 19 CO -0.06 0.73 0.13 0.93 -1.64 0.00 0.00 178.16 178.25 1d8b h GLU 20 N 0.96 0.39 -0.48 1.82 5.08 -1.06 -0.86 114.58 120.43 1d8b h GLU 20 Ca 0.24 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1d8b h GLU 20 Cb 0.10 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1d8b h GLU 20 CO -0.03 0.39 0.25 -0.09 -1.00 0.00 0.00 179.01 178.53 1d8b h ARG 21 N 0.31 0.67 -0.13 2.33 2.43 -0.09 0.81 114.38 120.70 1d8b h ARG 21 Ca 0.09 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 59.00 1d8b h ARG 21 Cb 0.12 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1d8b h ARG 21 CO -0.01 0.50 -0.71 -0.07 -1.51 0.00 0.00 179.97 178.17 1d8b h LEU 22 N 0.67 0.67 -0.33 3.80 3.38 -0.77 0.00 115.31 122.74 1d8b h LEU 22 Ca 0.17 -0.42 -0.19 0.00 0.09 0.00 0.00 57.88 57.53 1d8b h LEU 22 Cb 0.04 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1d8b h LEU 22 CO -0.03 1.18 -0.59 -0.09 0.09 0.00 0.00 178.44 179.01 1d8b h ARG 23 N 0.40 0.79 -0.15 1.13 2.43 -0.61 0.21 114.38 118.57 1d8b h ARG 23 Ca -0.03 -0.52 -0.13 0.00 -0.81 0.00 0.00 59.98 58.49 1d8b h ARG 23 Cb 1.30 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 1d8b h ARG 23 CO 0.13 1.15 -0.45 1.49 -1.51 0.00 0.00 179.97 180.78 1d8b h GLU 24 N 0.59 0.38 -0.00 0.20 4.57 -0.84 -2.04 114.58 117.45 1d8b h GLU 24 Ca 0.00 -0.20 -0.19 0.00 -1.18 0.00 0.00 59.36 57.79 1d8b h GLU 24 Cb 1.18 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 1d8b h GLU 24 CO 0.12 0.76 -0.85 1.25 -1.18 0.00 0.00 179.01 179.12 1d8b h LEU 25 N 0.31 0.21 -1.01 1.64 6.46 -0.84 -1.97 115.31 120.11 1d8b h LEU 25 Ca 0.02 -0.17 -0.06 0.00 -0.12 0.00 0.00 57.88 57.56 1d8b h LEU 25 Cb 0.92 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.77 1d8b h LEU 25 CO 0.08 0.96 0.06 0.28 -0.62 0.00 0.00 178.44 179.19 1d8b h SER 26 N 0.09 0.73 0.89 1.25 0.02 -0.28 0.27 113.55 116.53 1d8b h SER 26 Ca -0.03 -0.15 -0.18 0.00 -0.84 0.00 0.00 61.79 60.58 1d8b h SER 26 Cb 1.46 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 1d8b h SER 26 CO 0.13 0.76 -0.88 -0.07 -1.14 0.00 0.00 176.83 175.63 1d8b h LEU 27 N 0.74 0.00 0.16 5.07 4.07 -1.29 -2.28 115.31 121.77 1d8b h LEU 27 Ca 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 1d8b h LEU 27 Cb 0.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1d8b h LEU 27 CO 0.01 0.88 -0.08 -1.13 -1.08 0.00 0.00 178.44 177.04 1d8b h ASN 28 N 0.00 -0.18 -0.53 -0.43 -0.73 -0.78 -3.20 115.58 109.74 1d8b h ASN 28 Ca -0.01 0.01 0.01 0.00 1.87 0.00 0.00 56.30 58.18 1d8b h ASN 28 Cb 1.56 0.05 -0.03 0.00 0.27 0.00 0.00 38.32 40.17 1d8b h ASN 28 CO 0.11 0.28 0.35 -0.07 -0.37 0.00 0.00 177.43 177.73 1d8b h LEU 29 N -1.03 0.59 -1.53 0.34 3.38 -0.62 0.12 115.31 116.56 1d8b h LEU 29 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1d8b h LEU 29 Cb 0.16 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1d8b h LEU 29 CO 0.04 0.42 0.28 1.23 0.09 0.00 0.00 178.44 180.50 1d8b h GLY 30 N 0.69 0.64 0.43 0.83 0.00 -1.53 -0.20 103.07 103.93 1d8b h GLY 30 Ca 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1d8b h GLY 30 CO -0.04 0.24 -1.29 -2.01 0.00 0.00 0.00 176.54 173.43 1d8b n ASN 31 N -4.46 0.52 -0.03 0.19 5.15 -0.77 -0.74 115.26 115.12 1d8b n ASN 31 Ca 0.04 -0.15 0.14 0.00 -0.60 0.00 0.00 54.58 54.01 1d8b n ASN 31 Cb 0.07 1.10 0.55 0.00 -0.53 0.00 0.00 39.78 40.96 1d8b n ASN 31 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1d8b n ARG 32 N -2.11 0.22 -3.25 1.20 3.00 0.36 -4.80 116.66 111.28 1d8b n ARG 32 Ca 0.00 -0.06 -0.36 0.00 -0.00 0.00 0.00 57.85 57.43 1d8b n ARG 32 Cb 0.48 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.38 1d8b n ARG 32 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 1d8b s MET 33 N -2.82 4.11 -0.20 -0.14 1.75 -0.15 -5.02 119.30 116.82 1d8b s MET 33 Ca 0.19 0.66 -0.01 0.00 -1.25 0.00 0.00 55.69 55.27 1d8b s MET 33 Cb 0.19 -2.94 0.06 0.00 2.84 0.00 0.00 34.83 34.98 1d8b s MET 33 CO 0.55 0.46 -0.00 0.08 -0.65 0.00 0.00 175.02 175.46 1d8b s VAL 34 N -1.45 0.89 0.55 10.11 1.01 -1.26 -1.19 120.40 129.05 1d8b s VAL 34 Ca 0.39 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 1d8b s VAL 34 Cb -0.16 -1.28 -0.06 0.00 0.00 0.00 0.00 36.38 34.89 1d8b s VAL 34 CO 0.20 -0.13 1.06 -2.84 0.00 0.00 0.00 175.10 173.39 1d8b s PRO 35 N 1.70 3.51 0.47 2.72 0.02 -1.26 -5.11 135.00 137.04 1d8b s PRO 35 Ca -0.02 1.32 -0.23 0.00 0.02 0.00 0.00 61.00 62.08 1d8b s PRO 35 Cb -0.17 -2.05 -0.09 0.00 0.02 0.00 0.00 34.50 32.21 1d8b s PRO 35 CO -0.07 -0.67 1.15 -2.30 -0.33 0.00 0.00 177.00 174.77 1d8b n PRO 36 N -1.52 1.55 0.02 5.54 -0.02 -0.33 -4.94 135.00 135.30 1d8b n PRO 36 Ca 0.09 0.56 -0.09 0.00 -2.02 0.00 0.00 63.50 62.04 1d8b n PRO 36 Cb 0.52 -2.26 -0.13 0.00 -0.02 0.00 0.00 33.50 31.61 1d8b n PRO 36 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1d8b h VAL 37 N 1.57 1.17 0.00 -1.45 2.07 -1.17 -3.48 116.25 114.96 1d8b h VAL 37 Ca -0.47 -2.95 0.00 0.00 0.82 0.00 0.00 66.70 64.10 1d8b h VAL 37 Cb 1.32 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.70 1d8b h VAL 37 CO 0.57 0.71 0.00 0.61 0.02 0.00 0.00 177.57 179.48 1d8b n GLY 38 N 1.51 2.42 3.29 2.17 0.00 -1.23 -4.53 105.19 108.83 1d8b n GLY 38 Ca -0.12 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.46 1d8b n GLY 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1d8b s ASN 39 N -3.75 6.68 0.00 1.61 2.47 -1.26 -4.89 114.94 115.81 1d8b s ASN 39 Ca 0.00 -3.00 0.00 0.00 0.42 0.00 0.00 52.86 50.28 1d8b s ASN 39 Cb 0.00 -2.15 0.00 0.00 -1.45 0.00 0.00 41.25 37.65 1d8b s ASN 39 CO 0.00 -0.46 0.17 0.33 -3.72 0.00 0.00 177.10 173.43 1d8b n PHE 40 N 3.50 0.00 -4.62 0.43 7.35 -1.26 -4.79 117.46 118.07 1d8b n PHE 40 Ca 0.16 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.52 1d8b n PHE 40 Cb 0.43 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 40.14 1d8b n PHE 40 CO 0.00 0.00 0.00 1.41 -0.76 0.00 0.00 176.76 177.41 1d8b s MET 41 N -0.35 3.08 0.54 -4.13 1.75 -1.26 -5.07 119.30 113.86 1d8b s MET 41 Ca 0.00 -0.58 -0.21 0.00 -1.25 0.00 0.00 55.69 53.65 1d8b s MET 41 Cb 0.00 -2.66 -0.05 0.00 2.84 0.00 0.00 34.83 34.96 1d8b s MET 41 CO 0.00 0.47 1.23 -2.14 -0.65 0.00 0.00 175.02 173.92 1d8b s PRO 42 N -0.28 3.29 0.33 4.11 0.02 -1.26 -4.82 135.00 136.39 1d8b s PRO 42 Ca 0.04 1.90 0.08 0.00 0.02 0.00 0.00 61.00 63.04 1d8b s PRO 42 Cb -0.13 -2.17 0.78 0.00 0.02 0.00 0.00 34.50 33.01 1d8b s PRO 42 CO 0.03 -0.97 1.83 0.22 -0.33 0.00 0.00 177.00 177.77 1d8b h ASP 43 N 1.42 0.71 0.52 2.53 3.58 -1.99 -0.43 116.42 122.77 1d8b h ASP 43 Ca -0.50 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 56.98 1d8b h ASP 43 Cb 1.28 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1d8b h ASP 43 CO 0.57 0.32 -0.26 0.77 -2.88 0.00 0.00 179.24 177.77 1d8b h SER 44 N 0.73 -0.61 -0.65 2.28 4.64 -2.00 -2.14 113.55 115.80 1d8b h SER 44 Ca 0.50 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.80 1d8b h SER 44 Cb 0.81 0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.03 1d8b h SER 44 CO -0.27 -0.43 0.24 0.40 -0.87 0.00 0.00 176.83 175.91 1d8b h ILE 45 N -0.70 1.24 -0.74 0.95 1.08 -1.78 -2.39 117.51 115.17 1d8b h ILE 45 Ca -0.07 -0.79 0.09 0.00 -0.39 0.00 0.00 64.86 63.70 1d8b h ILE 45 Cb 0.54 0.46 -0.05 0.00 -3.07 0.00 0.00 36.82 34.70 1d8b h ILE 45 CO 0.11 0.31 0.48 -0.07 -0.69 0.00 0.00 178.15 178.30 1d8b h LEU 46 N 0.99 0.60 -0.02 1.44 3.38 -0.91 0.18 115.31 120.97 1d8b h LEU 46 Ca 0.23 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.06 1d8b h LEU 46 Cb 0.23 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.88 1d8b h LEU 46 CO -0.01 0.37 -0.57 0.11 0.09 0.00 0.00 178.44 178.42 1d8b h LYS 47 N 0.67 0.43 -0.31 1.13 1.57 -0.89 -1.64 116.57 117.53 1d8b h LYS 47 Ca 0.33 -0.43 -0.16 0.00 -1.87 0.00 0.00 60.65 58.52 1d8b h LYS 47 Cb 0.41 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1d8b h LYS 47 CO -0.12 1.09 -0.43 1.57 -0.57 0.00 0.00 179.45 180.98 1d8b h LYS 48 N -0.07 0.85 0.00 3.15 2.10 -1.13 -2.18 116.57 119.29 1d8b h LYS 48 Ca -0.07 -0.49 -0.06 0.00 -2.00 0.00 0.00 60.65 58.03 1d8b h LYS 48 Cb 1.27 0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.63 1d8b h LYS 48 CO 0.11 1.13 -0.28 0.00 -2.00 0.00 0.00 179.45 178.42 1d8b h MET 49 N 0.63 0.00 0.00 0.07 -0.00 -0.76 0.12 114.93 114.99 1d8b h MET 49 Ca 0.03 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.58 1d8b h MET 49 Cb 1.03 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.61 1d8b h MET 49 CO 0.10 0.28 -0.71 0.00 -0.00 0.00 0.00 176.91 176.58 1d8b h ALA 50 N 1.72 0.76 0.09 -3.00 0.00 -1.08 0.77 119.26 118.53 1d8b h ALA 50 Ca -0.00 -0.65 -0.25 0.00 0.00 0.00 0.00 54.91 54.01 1d8b h ALA 50 Cb 0.51 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1d8b h ALA 50 CO 0.04 0.89 -1.32 0.00 0.00 0.00 0.00 179.25 178.86 1d8b h ALA 51 N 1.29 0.19 0.16 0.00 0.00 -0.74 -3.39 119.26 116.76 1d8b h ALA 51 Ca -0.01 -1.08 -0.30 0.00 0.00 0.00 0.00 54.91 53.53 1d8b h ALA 51 Cb 1.31 0.49 0.01 0.00 0.00 0.00 0.00 17.79 19.60 1d8b h ALA 51 CO 0.09 0.77 -1.36 0.82 0.00 0.00 0.00 179.25 179.58 1d8b h ILE 52 N -0.44 1.38 -5.69 0.00 5.03 -0.89 -3.49 117.51 113.41 1d8b h ILE 52 Ca -0.29 -2.93 -0.13 0.00 -0.12 0.00 0.00 64.86 61.38 1d8b h ILE 52 Cb 1.65 2.94 0.02 0.00 -3.03 0.00 0.00 36.82 38.39 1d8b h ILE 52 CO 0.02 0.86 -0.31 0.18 -0.68 0.00 0.00 178.15 178.21 1d8b n LEU 53 N -3.56 -5.58 -4.62 1.44 4.77 0.27 -4.91 117.00 104.80 1d8b n LEU 53 Ca -0.12 -0.33 -0.43 0.00 -0.03 0.00 0.00 56.01 55.10 1d8b n LEU 53 Cb 1.05 -2.93 -0.02 0.00 -2.33 0.00 0.00 43.42 39.18 1d8b n LEU 53 CO 0.55 -0.68 0.97 -2.84 -1.33 0.00 0.00 177.39 174.06 1d8b s PRO 54 N -3.61 3.88 0.07 3.23 0.02 -1.26 -4.85 135.00 132.48 1d8b s PRO 54 Ca 0.05 0.78 0.20 0.00 0.02 0.00 0.00 61.00 62.05 1d8b s PRO 54 Cb -0.01 -3.82 -0.14 0.00 0.02 0.00 0.00 34.50 30.54 1d8b s PRO 54 CO 0.78 -1.14 0.77 -1.33 -0.33 0.00 0.00 177.00 175.75 1d8b n MET 55 N 7.33 0.63 -4.49 5.54 2.81 -1.26 -4.86 117.12 122.82 1d8b n MET 55 Ca 0.12 0.10 -0.25 0.00 -1.81 0.00 0.00 57.70 55.85 1d8b n MET 55 Cb 0.48 -1.74 -0.10 0.00 -0.71 0.00 0.00 33.22 31.15 1d8b n MET 55 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1d8b s ASN 56 N -5.40 3.81 0.40 7.83 2.47 -1.26 -4.99 114.94 117.79 1d8b s ASN 56 Ca -0.04 -1.12 0.08 0.00 0.42 0.00 0.00 52.86 52.20 1d8b s ASN 56 Cb 0.10 -0.39 0.84 0.00 -1.45 0.00 0.00 41.25 40.35 1d8b s ASN 56 CO 0.82 -0.17 1.99 -0.78 -3.72 0.00 0.00 177.10 175.25 1d8b h ASP 57 N 2.02 0.35 -0.65 -4.21 3.58 -1.99 -2.12 116.42 113.39 1d8b h ASP 57 Ca -0.42 -0.04 -0.04 0.00 0.42 0.00 0.00 57.03 56.96 1d8b h ASP 57 Cb 1.25 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 42.18 1d8b h ASP 57 CO 0.68 0.36 0.27 0.28 -2.88 0.00 0.00 179.24 177.95 1d8b h SER 58 N 0.39 0.91 0.71 2.28 0.02 -2.00 -1.44 113.55 114.42 1d8b h SER 58 Ca 0.10 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 1d8b h SER 58 Cb 0.14 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1d8b h SER 58 CO -0.01 0.81 -0.37 0.00 -1.14 0.00 0.00 176.83 176.13 1d8b h ALA 59 N 1.32 1.07 0.00 3.77 0.00 -1.79 -2.56 119.26 121.07 1d8b h ALA 59 Ca 0.23 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1d8b h ALA 59 Cb 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1d8b h ALA 59 CO -0.02 0.46 -0.14 0.74 0.00 0.00 0.00 179.25 180.29 1d8b h PHE 60 N 0.00 0.00 0.00 0.00 0.04 -0.85 -2.35 116.94 113.78 1d8b h PHE 60 Ca -0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1d8b h PHE 60 Cb 0.83 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.97 1d8b h PHE 60 CO 0.00 0.14 -0.17 0.00 -0.60 0.00 0.00 178.31 177.69 1d8b h ALA 61 N 1.86 1.43 -0.00 2.45 0.00 -1.26 -1.26 119.26 122.47 1d8b h ALA 61 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1d8b h ALA 61 Cb 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1d8b h ALA 61 CO 0.02 0.21 -0.03 0.25 0.00 0.00 0.00 179.25 179.70 1d8b n THR 62 N -3.91 0.00 0.82 0.00 -2.24 -0.88 -2.89 114.28 105.19 1d8b n THR 62 Ca -0.02 -0.02 0.13 0.00 -2.27 0.00 0.00 64.05 61.87 1d8b n THR 62 Cb 0.26 -0.39 0.53 0.00 -2.10 0.00 0.00 70.33 68.63 1d8b n THR 62 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1d8b n LEU 63 N -1.12 0.30 0.00 3.22 4.77 -0.47 -4.98 117.00 118.71 1d8b n LEU 63 Ca 0.17 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.68 1d8b n LEU 63 Cb 0.22 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1d8b n LEU 63 CO 0.22 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1d8b n GLY 64 N 1.29 1.55 2.61 -0.72 0.00 -1.14 -4.78 105.19 104.01 1d8b n GLY 64 Ca 0.06 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 1d8b n GLY 64 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1d8b n THR 65 N 0.00 -0.31 -2.25 2.61 -2.24 -1.26 -4.87 114.28 105.96 1d8b n THR 65 Ca 0.00 -1.99 -0.41 0.00 -2.27 0.00 0.00 64.05 59.38 1d8b n THR 65 Cb 0.00 0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 1d8b n THR 65 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1d8b s VAL 66 N 0.39 3.09 0.76 2.28 -7.23 -1.26 -5.00 120.40 113.43 1d8b s VAL 66 Ca 0.32 1.02 -0.11 0.00 -1.81 0.00 0.00 61.98 61.40 1d8b s VAL 66 Cb 0.10 -3.65 0.05 0.00 0.56 0.00 0.00 36.38 33.44 1d8b s VAL 66 CO -0.15 0.21 1.09 -1.61 -0.31 0.00 0.00 175.10 174.34 1d8b s GLU 67 N -1.16 2.32 0.45 4.82 8.01 -1.26 -4.83 118.70 127.05 1d8b s GLU 67 Ca 0.50 1.15 0.11 0.00 0.01 0.00 0.00 54.97 56.74 1d8b s GLU 67 Cb -0.37 -1.91 1.01 0.00 -4.31 0.00 0.00 34.13 28.56 1d8b s GLU 67 CO 0.45 -1.59 2.08 0.22 0.01 0.00 0.00 175.26 176.43 1d8b h ASP 68 N -1.08 0.28 0.49 -0.19 3.58 -1.99 0.63 116.42 118.14 1d8b h ASP 68 Ca -0.44 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 56.92 1d8b h ASP 68 Cb 1.23 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.20 1d8b h ASP 68 CO 0.52 0.22 -0.38 0.07 -2.88 0.00 0.00 179.24 176.78 1d8b h LYS 69 N 0.32 0.00 -0.02 0.28 2.10 -2.01 -2.07 116.57 115.18 1d8b h LYS 69 Ca 0.09 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.55 1d8b h LYS 69 Cb -0.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.31 1d8b h LYS 69 CO -0.02 0.38 -0.83 1.88 -2.00 0.00 0.00 179.45 178.87 1d8b h TYR 70 N 0.00 0.36 -0.13 0.07 -1.99 -1.27 -3.07 116.97 110.94 1d8b h TYR 70 Ca -0.00 -0.18 -0.05 0.00 2.00 0.00 0.00 58.73 60.50 1d8b h TYR 70 Cb 0.73 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 39.40 1d8b h TYR 70 CO 0.00 0.97 -0.13 0.00 -0.00 0.00 0.00 178.16 179.00 1d8b h ARG 71 N 0.15 0.20 0.35 4.88 3.08 -0.58 -1.48 114.38 120.98 1d8b h ARG 71 Ca -0.04 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1d8b h ARG 71 Cb 1.43 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.45 1d8b h ARG 71 CO 0.13 0.34 -0.17 0.00 -1.07 0.00 0.00 179.97 179.21 1d8b h ARG 72 N 0.20 -0.45 0.00 0.04 3.08 -1.33 -2.88 114.38 113.03 1d8b h ARG 72 Ca 0.04 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1d8b h ARG 72 Cb 0.35 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1d8b h ARG 72 CO 0.02 -0.30 0.00 2.89 -1.07 0.00 0.00 179.97 181.51 1d8b n ARG 73 N -3.44 0.27 -0.12 0.04 0.00 -1.23 -2.52 116.66 109.68 1d8b n ARG 73 Ca -0.06 0.11 -0.10 0.00 -0.00 0.00 0.00 57.85 57.80 1d8b n ARG 73 Cb 0.18 -1.50 0.03 0.00 -0.00 0.00 0.00 32.46 31.18 1d8b n ARG 73 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 1d8b h PHE 74 N 0.00 1.03 0.00 2.89 3.04 -1.04 -2.82 116.94 120.04 1d8b h PHE 74 Ca 0.00 -0.25 -0.02 0.00 3.98 0.00 0.00 57.97 61.68 1d8b h PHE 74 Cb 0.09 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 38.36 1d8b h PHE 74 CO 0.00 1.04 -0.09 1.57 -2.02 0.00 0.00 178.31 178.81 1d8b h LYS 75 N 0.76 0.00 0.00 1.11 2.10 -1.49 0.13 116.57 119.19 1d8b h LYS 75 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 1d8b h LYS 75 Cb 0.80 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 1d8b h LYS 75 CO 0.07 0.09 0.00 0.66 -2.00 0.00 0.00 179.45 178.27 1d8b n TYR 76 N -3.67 0.12 0.23 0.07 4.01 -1.06 -2.64 117.16 114.21 1d8b n TYR 76 Ca -0.02 0.04 0.10 0.00 -0.16 0.00 0.00 57.90 57.86 1d8b n TYR 76 Cb 0.21 -0.56 -0.15 0.00 -0.31 0.00 0.00 39.34 38.53 1d8b n TYR 76 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1d8b n PHE 77 N -1.60 0.00 0.22 -0.72 3.72 -0.03 -4.41 117.46 114.65 1d8b n PHE 77 Ca 0.06 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.57 1d8b n PHE 77 Cb 0.32 -0.35 0.67 0.00 -0.94 0.00 0.00 39.48 39.18 1d8b n PHE 77 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1d8b h LYS 78 N 0.00 0.00 -0.29 -1.08 1.63 -1.14 0.63 116.57 116.32 1d8b h LYS 78 Ca 0.00 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 1d8b h LYS 78 Cb 0.81 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.42 1d8b h LYS 78 CO 0.00 0.00 -0.09 0.00 -3.45 0.00 0.00 179.45 175.91 1d8b h ALA 79 N 1.96 1.31 0.11 5.00 0.00 -1.77 -1.25 119.26 124.61 1d8b h ALA 79 Ca 0.04 -0.24 -0.31 0.00 0.00 0.00 0.00 54.91 54.40 1d8b h ALA 79 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1d8b h ALA 79 CO -0.00 0.46 -1.61 1.15 0.00 0.00 0.00 179.25 179.25 1d8b h THR 80 N 0.45 0.87 -0.92 0.00 2.02 -1.51 -3.27 112.91 110.54 1d8b h THR 80 Ca 0.09 -2.36 0.02 0.00 0.77 0.00 0.00 66.41 64.94 1d8b h THR 80 Cb 0.43 2.57 -0.05 0.00 -1.74 0.00 0.00 68.15 69.37 1d8b h THR 80 CO 0.02 0.72 0.61 0.40 0.37 0.00 0.00 175.52 177.64 1d8b h ILE 81 N -0.25 1.19 -0.38 3.11 2.04 -0.91 -0.01 117.51 122.31 1d8b h ILE 81 Ca -0.35 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.04 1d8b h ILE 81 Cb 1.81 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1d8b h ILE 81 CO 0.04 0.22 0.03 0.00 0.00 0.00 0.00 178.15 178.44 1d8b h ALA 82 N 1.45 0.50 -0.36 1.87 0.00 -1.38 0.12 119.26 121.46 1d8b h ALA 82 Ca 0.35 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1d8b h ALA 82 Cb -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1d8b h ALA 82 CO -0.09 0.24 0.09 0.22 0.00 0.00 0.00 179.25 179.71 1d8b h ASP 83 N 0.47 0.55 0.13 0.00 3.58 -1.49 -0.79 116.42 118.87 1d8b h ASP 83 Ca 0.11 -0.23 -0.11 0.00 0.42 0.00 0.00 57.03 57.23 1d8b h ASP 83 Cb 0.41 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1d8b h ASP 83 CO 0.01 0.63 -0.37 -0.07 -2.88 0.00 0.00 179.24 176.57 1d8b h LEU 84 N 0.44 0.34 -0.82 2.28 3.38 -0.93 -0.91 115.31 119.09 1d8b h LEU 84 Ca 0.12 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1d8b h LEU 84 Cb 0.29 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1d8b h LEU 84 CO 0.00 0.69 -0.37 -1.28 0.09 0.00 0.00 178.44 177.57 1d8b h SER 85 N 0.28 0.00 0.06 -0.43 0.87 -0.53 -2.15 113.55 111.66 1d8b h SER 85 Ca 0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1d8b h SER 85 Cb 0.78 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1d8b h SER 85 CO 0.06 0.37 -0.03 0.11 -0.53 0.00 0.00 176.83 176.81 1d8b h LYS 86 N 0.00 -0.08 0.00 2.24 1.57 -0.68 -3.32 116.57 116.29 1d8b h LYS 86 Ca -0.00 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1d8b h LYS 86 Cb 0.95 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.27 1d8b h LYS 86 CO 0.05 0.40 -0.07 0.87 -0.57 0.00 0.00 179.45 180.13 1d8b h LYS 87 N -0.95 0.00 0.00 3.15 1.79 -1.22 0.60 116.57 119.94 1d8b h LYS 87 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1d8b h LYS 87 Cb 0.52 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1d8b h LYS 87 CO 0.01 0.07 0.00 0.07 -1.08 0.00 0.00 179.45 178.52 1d8b h ARG 88 N 0.00 0.00 0.00 3.15 0.11 -1.50 -3.39 114.38 112.75 1d8b h ARG 88 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1d8b h ARG 88 Cb 0.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1d8b h ARG 88 CO 0.01 0.00 -0.31 -1.13 0.10 0.00 0.00 179.97 178.64 1d8b n SER 89 N -2.64 0.46 -2.26 0.08 3.41 -0.98 -4.87 113.62 106.82 1d8b n SER 89 Ca 0.04 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.46 1d8b n SER 89 Cb 0.40 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.23 1d8b n SER 89 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1d8b n SER 90 N -2.35 5.88 0.00 4.04 7.64 0.21 -5.11 113.62 123.93 1d8b n SER 90 Ca 0.00 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.14 1d8b n SER 90 Cb 0.16 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 61.99 1d8b n SER 90 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24