#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjf n GLU 5 N 0.00 -4.80 -4.25 -0.52 -0.00 -1.26 -5.01 120.64 104.80 1sjf n GLU 5 Ca 0.00 3.50 -0.23 0.00 -0.00 0.00 0.00 57.16 60.43 1sjf n GLU 5 Cb 0.00 -3.94 -0.07 0.00 -0.00 0.00 0.00 31.44 27.44 1sjf n GLU 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1sjf s THR 6 N -2.51 3.69 0.38 3.84 2.01 -1.26 -5.12 115.64 116.67 1sjf s THR 6 Ca 0.00 -1.76 -0.12 0.00 0.31 0.00 0.00 61.69 60.13 1sjf s THR 6 Cb 0.00 -2.97 -0.07 0.00 0.01 0.00 0.00 72.50 69.47 1sjf s THR 6 CO 0.00 -0.34 0.75 -0.13 -0.69 0.00 0.00 174.62 174.21 1sjf s ARG 7 N -3.64 3.84 0.02 4.92 3.00 -1.26 -4.89 118.95 120.94 1sjf s ARG 7 Ca 0.31 0.51 -0.39 0.00 0.00 0.00 0.00 55.73 56.17 1sjf s ARG 7 Cb -0.07 -2.41 -0.18 0.00 0.00 0.00 0.00 34.95 32.28 1sjf s ARG 7 CO 0.21 0.03 1.23 -2.30 0.00 0.00 0.00 175.30 174.47 1sjf n PRO 8 N -1.00 0.57 -4.27 3.54 -0.02 -1.26 -4.79 135.00 127.77 1sjf n PRO 8 Ca 0.03 0.21 -0.15 0.00 -2.02 0.00 0.00 63.50 61.56 1sjf n PRO 8 Cb 0.54 -1.78 -0.10 0.00 -0.02 0.00 0.00 33.50 32.14 1sjf n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1sjf s ASN 9 N 0.42 1.16 0.42 2.55 3.84 -1.26 -5.02 114.94 117.04 1sjf s ASN 9 Ca 0.89 -1.28 0.23 0.00 0.21 0.00 0.00 52.86 52.91 1sjf s ASN 9 Cb -1.12 0.15 0.60 0.00 -0.55 0.00 0.00 41.25 40.33 1sjf s ASN 9 CO 0.53 -0.65 1.69 0.45 -2.79 0.00 0.00 177.10 176.33 1sjf h HIS 10 N 2.55 0.00 -3.36 0.43 3.86 -1.90 -3.44 115.15 113.30 1sjf h HIS 10 Ca -0.37 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.19 1sjf h HIS 10 Cb 1.23 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 29.47 1sjf h HIS 10 CO 0.49 0.20 -0.70 0.99 0.86 0.00 0.00 177.93 179.77 1sjf s THR 11 N -3.35 3.60 -0.14 2.45 2.01 -1.26 -0.93 115.64 118.02 1sjf s THR 11 Ca 0.03 -0.47 -0.05 0.00 0.31 0.00 0.00 61.69 61.51 1sjf s THR 11 Cb 0.08 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 1sjf s THR 11 CO 0.66 0.52 0.05 0.27 -0.69 0.00 0.00 174.62 175.43 1sjf s ILE 12 N 0.21 4.73 -0.21 1.82 -4.36 -0.49 0.06 121.20 122.97 1sjf s ILE 12 Ca -0.04 -0.07 -0.14 0.00 -0.26 0.00 0.00 60.65 60.14 1sjf s ILE 12 Cb -0.14 -3.07 -0.04 0.00 1.25 0.00 0.00 42.46 40.45 1sjf s ILE 12 CO 0.04 0.54 0.29 -0.47 0.24 0.00 0.00 174.94 175.58 1sjf s TYR 13 N -0.30 3.37 -0.09 1.37 6.14 -0.04 -0.87 117.35 126.93 1sjf s TYR 13 Ca 0.08 0.47 0.04 0.00 0.64 0.00 0.00 57.07 58.31 1sjf s TYR 13 Cb -0.12 -2.39 0.00 0.00 0.42 0.00 0.00 41.96 39.87 1sjf s TYR 13 CO 0.02 0.07 -0.22 0.42 0.64 0.00 0.00 175.55 176.47 1sjf s ILE 14 N 1.04 1.92 0.21 3.14 1.01 0.11 -1.60 121.20 127.04 1sjf s ILE 14 Ca 0.14 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.88 1sjf s ILE 14 Cb -0.14 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 1sjf s ILE 14 CO 0.06 0.53 0.14 -0.46 0.00 0.00 0.00 174.94 175.21 1sjf n ASN 15 N 3.47 0.10 -1.15 3.58 6.94 -0.76 0.24 115.26 127.67 1sjf n ASN 15 Ca -0.19 -2.31 -0.11 0.00 -0.02 0.00 0.00 54.58 51.94 1sjf n ASN 15 Cb 0.53 0.87 -0.02 0.00 -2.36 0.00 0.00 39.78 38.80 1sjf n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1sjf n ASN 16 N -2.05 -3.86 -4.85 0.53 4.05 -0.70 -2.54 115.26 105.84 1sjf n ASN 16 Ca 0.02 0.08 -0.32 0.00 0.45 0.00 0.00 54.58 54.81 1sjf n ASN 16 Cb 0.36 -2.87 -0.05 0.00 1.23 0.00 0.00 39.78 38.46 1sjf n ASN 16 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1sjf s LEU 17 N -3.02 3.91 -0.30 1.20 1.43 -0.79 -4.64 118.68 116.46 1sjf s LEU 17 Ca 0.00 1.35 -0.28 0.00 -1.03 0.00 0.00 54.13 54.16 1sjf s LEU 17 Cb 0.00 -4.20 -0.02 0.00 0.03 0.00 0.00 46.19 42.00 1sjf s LEU 17 CO 0.00 -0.34 1.84 0.21 0.23 0.00 0.00 176.35 178.28 1sjf s ASN 18 N -2.63 5.88 0.52 2.29 3.84 -1.26 -4.55 114.94 119.04 1sjf s ASN 18 Ca 0.55 1.41 0.30 0.00 0.21 0.00 0.00 52.86 55.34 1sjf s ASN 18 Cb -0.10 -2.52 1.36 0.00 -0.55 0.00 0.00 41.25 39.43 1sjf s ASN 18 CO 0.23 -1.70 2.00 -0.33 -2.79 0.00 0.00 177.10 174.51 1sjf h GLU 19 N 12.95 0.00 0.00 0.43 5.08 -1.93 -2.89 114.58 128.21 1sjf h GLU 19 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1sjf h GLU 19 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1sjf h GLU 19 CO 1.02 0.10 0.00 1.63 -1.00 0.00 0.00 179.01 180.76 1sjf n LYS 20 N -3.32 0.62 -3.61 2.33 5.02 -1.26 -4.72 118.16 113.22 1sjf n LYS 20 Ca -0.01 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 1sjf n LYS 20 Cb 0.30 -1.18 -0.08 0.00 -0.02 0.00 0.00 35.03 34.06 1sjf n LYS 20 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1sjf s ILE 21 N -2.00 5.35 0.63 -0.18 -1.09 -1.09 -5.06 121.20 117.76 1sjf s ILE 21 Ca 0.11 0.40 -0.18 0.00 -2.23 0.00 0.00 60.65 58.75 1sjf s ILE 21 Cb 0.05 -3.57 -0.02 0.00 -1.58 0.00 0.00 42.46 37.34 1sjf s ILE 21 CO 0.08 0.40 1.21 0.29 -1.23 0.00 0.00 174.94 175.70 1sjf n LYS 22 N 3.61 1.08 0.09 2.79 5.02 -1.26 -4.77 118.16 124.72 1sjf n LYS 22 Ca -0.13 0.42 -0.12 0.00 -2.02 0.00 0.00 58.31 56.46 1sjf n LYS 22 Cb 0.52 -2.44 -0.05 0.00 -0.02 0.00 0.00 35.03 33.03 1sjf n LYS 22 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1sjf h LYS 23 N 0.55 -0.40 -0.59 1.97 3.64 -1.96 -1.52 116.57 118.26 1sjf h LYS 23 Ca -0.50 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.00 1sjf h LYS 23 Cb 1.35 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 33.18 1sjf h LYS 23 CO 0.53 -0.26 0.19 0.22 -2.27 0.00 0.00 179.45 177.85 1sjf h ASP 24 N -0.41 0.14 0.84 4.20 3.58 -1.97 -1.26 116.42 121.53 1sjf h ASP 24 Ca 0.04 0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 1sjf h ASP 24 Cb 0.45 0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.60 1sjf h ASP 24 CO -0.16 0.09 -0.40 -0.08 -2.88 0.00 0.00 179.24 175.80 1sjf h GLU 25 N 0.35 -1.09 -0.78 0.28 4.81 -1.92 -2.42 114.58 113.81 1sjf h GLU 25 Ca 0.30 0.07 0.15 0.00 -0.13 0.00 0.00 59.36 59.76 1sjf h GLU 25 Cb 0.40 0.25 -0.15 0.00 0.63 0.00 0.00 28.75 29.88 1sjf h GLU 25 CO -0.34 -0.72 -0.22 1.25 -0.73 0.00 0.00 179.01 178.25 1sjf h LEU 26 N -1.30 -0.80 -0.56 1.64 5.85 -1.07 0.66 115.31 119.73 1sjf h LEU 26 Ca -0.12 0.24 0.08 0.00 0.84 0.00 0.00 57.88 58.93 1sjf h LEU 26 Cb 0.87 0.51 -0.07 0.00 0.37 0.00 0.00 40.66 42.34 1sjf h LEU 26 CO 0.19 -0.27 0.20 0.11 -0.34 0.00 0.00 178.44 178.33 1sjf h LYS 27 N -0.02 0.36 -0.33 1.25 1.57 -1.19 -0.03 116.57 118.19 1sjf h LYS 27 Ca 0.36 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.09 1sjf h LYS 27 Cb 0.58 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1sjf h LYS 27 CO -0.81 0.24 0.07 0.87 -0.57 0.00 0.00 179.45 179.25 1sjf h LYS 28 N 0.38 0.54 -0.42 3.15 1.57 0.56 -1.78 116.57 120.57 1sjf h LYS 28 Ca 0.28 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1sjf h LYS 28 Cb 0.33 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1sjf h LYS 28 CO -0.29 0.61 0.17 0.77 -0.57 0.00 0.00 179.45 180.15 1sjf h SER 29 N 0.38 0.54 -0.27 0.86 0.02 0.50 -1.33 113.55 114.24 1sjf h SER 29 Ca 0.10 -0.05 -0.18 0.00 -0.84 0.00 0.00 61.79 60.82 1sjf h SER 29 Cb 0.33 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 1sjf h SER 29 CO 0.00 0.48 -0.54 -0.07 -1.14 0.00 0.00 176.83 175.57 1sjf h LEU 30 N 0.59 0.96 -1.44 5.07 3.38 -0.77 -2.47 115.31 120.63 1sjf h LEU 30 Ca 0.15 -0.51 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 1sjf h LEU 30 Cb 0.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1sjf h LEU 30 CO -0.02 1.30 -0.19 -0.74 0.09 0.00 0.00 178.44 178.88 1sjf h HIS 31 N 0.67 0.13 -0.14 1.13 2.76 -0.84 -1.45 115.15 117.40 1sjf h HIS 31 Ca 0.02 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 1sjf h HIS 31 Cb 1.14 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 30.05 1sjf h HIS 31 CO 0.07 0.31 -0.08 0.00 -1.30 0.00 0.00 177.93 176.93 1sjf h ALA 32 N 1.69 1.60 0.00 5.26 0.00 -0.78 -2.69 119.26 124.34 1sjf h ALA 32 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1sjf h ALA 32 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1sjf h ALA 32 CO 0.03 0.29 -0.68 0.44 0.00 0.00 0.00 179.25 179.33 1sjf n ILE 33 N -4.33 0.00 0.70 0.00 -5.35 -0.85 -4.58 119.36 104.95 1sjf n ILE 33 Ca -0.01 -0.20 0.07 0.00 -0.27 0.00 0.00 62.75 62.35 1sjf n ILE 33 Cb 0.23 0.95 -0.05 0.00 -1.74 0.00 0.00 39.64 39.02 1sjf n ILE 33 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1sjf n PHE 34 N -1.35 0.00 0.17 4.28 3.72 -0.61 -4.58 117.46 119.10 1sjf n PHE 34 Ca 0.02 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.46 1sjf n PHE 34 Cb 0.21 0.00 0.42 0.00 -0.94 0.00 0.00 39.48 39.18 1sjf n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1sjf h SER 35 N 0.65 0.09 0.05 4.37 4.64 -1.71 -2.69 113.55 118.96 1sjf h SER 35 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1sjf h SER 35 Cb 0.42 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1sjf h SER 35 CO 0.00 0.31 0.00 -2.11 -0.87 0.00 0.00 176.83 174.16 1sjf n ARG 36 N -4.25 0.38 0.00 4.77 1.85 -1.26 -2.03 116.66 116.12 1sjf n ARG 36 Ca -0.02 0.03 0.11 0.00 -1.00 0.00 0.00 57.85 56.97 1sjf n ARG 36 Cb 0.29 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.18 1sjf n ARG 36 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1sjf n PHE 37 N -1.06 0.04 0.00 2.89 3.72 -1.01 -5.05 117.46 116.99 1sjf n PHE 37 Ca 0.09 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1sjf n PHE 37 Cb 0.06 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 1sjf n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sjf n GLY 38 N 1.46 2.87 3.64 1.37 0.00 -0.86 -4.29 105.19 109.39 1sjf n GLY 38 Ca 0.03 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 1sjf n GLY 38 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sjf n GLN 39 N -1.61 1.25 -5.06 1.61 7.27 -1.26 -4.68 117.38 114.90 1sjf n GLN 39 Ca 0.00 0.46 -0.32 0.00 0.07 0.00 0.00 57.00 57.21 1sjf n GLN 39 Cb 0.00 -2.22 -0.15 0.00 2.41 0.00 0.00 30.24 30.28 1sjf n GLN 39 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1sjf s ILE 40 N -1.38 2.51 -0.07 1.69 1.01 -1.26 -2.59 121.20 121.10 1sjf s ILE 40 Ca 0.70 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 60.52 1sjf s ILE 40 Cb -0.46 -1.97 -0.24 0.00 0.01 0.00 0.00 42.46 39.79 1sjf s ILE 40 CO 0.51 0.56 0.56 0.18 0.00 0.00 0.00 174.94 176.76 1sjf n LEU 41 N 3.06 1.44 -3.61 2.97 4.77 0.11 -4.91 117.00 120.84 1sjf n LEU 41 Ca -0.18 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1sjf n LEU 41 Cb 0.52 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.36 1sjf n LEU 41 CO 0.27 0.54 1.19 -0.62 -1.33 0.00 0.00 177.39 177.44 1sjf s ASP 42 N -6.39 -0.01 -0.05 -1.43 -1.08 -1.18 -5.02 116.67 101.49 1sjf s ASP 42 Ca -0.10 -0.01 0.00 0.00 -0.52 0.00 0.00 52.55 51.92 1sjf s ASP 42 Cb 0.08 0.02 0.02 0.00 -1.46 0.00 0.00 42.92 41.58 1sjf s ASP 42 CO 0.81 -0.04 -0.02 -0.63 0.52 0.00 0.00 175.17 175.81 1sjf s ILE 43 N -2.06 0.44 -0.22 4.11 1.01 -1.26 -0.35 121.20 122.87 1sjf s ILE 43 Ca 0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.72 1sjf s ILE 43 Cb 0.03 -0.52 -0.01 0.00 0.01 0.00 0.00 42.46 41.97 1sjf s ILE 43 CO -0.04 0.23 -0.04 -0.76 0.00 0.00 0.00 174.94 174.33 1sjf s LEU 44 N 1.29 2.90 -0.04 2.97 1.02 -0.40 -4.95 118.68 121.48 1sjf s LEU 44 Ca -0.05 -0.39 0.06 0.00 0.02 0.00 0.00 54.13 53.76 1sjf s LEU 44 Cb -0.13 -1.74 -0.01 0.00 0.02 0.00 0.00 46.19 44.32 1sjf s LEU 44 CO -0.02 -0.02 -0.21 -0.69 0.02 0.00 0.00 176.35 175.43 1sjf s VAL 45 N 1.48 1.68 -0.01 -1.59 1.01 -1.26 -2.01 120.40 119.70 1sjf s VAL 45 Ca 0.06 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1sjf s VAL 45 Cb -0.14 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.82 1sjf s VAL 45 CO -0.03 0.48 -0.03 -0.55 0.00 0.00 0.00 175.10 174.96 1sjf s SER 46 N -0.21 0.46 -0.09 3.32 0.15 -1.26 -5.04 113.70 111.03 1sjf s SER 46 Ca 0.01 -0.06 0.18 0.00 0.70 0.00 0.00 55.95 56.77 1sjf s SER 46 Cb -0.11 -0.11 0.65 0.00 -1.71 0.00 0.00 66.02 64.74 1sjf s SER 46 CO 0.01 0.01 1.56 0.54 1.20 0.00 0.00 173.24 176.57 1sjf n ARG 47 N 3.29 3.44 -0.67 5.44 1.74 -1.26 -2.94 116.66 125.70 1sjf n ARG 47 Ca -0.16 -2.76 -0.28 0.00 -0.77 0.00 0.00 57.85 53.87 1sjf n ARG 47 Cb 0.56 -1.77 0.24 0.00 -1.02 0.00 0.00 32.46 30.48 1sjf n ARG 47 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1sjf s SER 48 N -1.01 1.08 0.21 0.55 1.04 -1.26 -4.50 113.70 109.81 1sjf s SER 48 Ca 0.47 1.37 -0.09 0.00 0.48 0.00 0.00 55.95 58.18 1sjf s SER 48 Cb 0.30 -2.12 0.27 0.00 0.10 0.00 0.00 66.02 64.56 1sjf s SER 48 CO 0.24 -4.11 1.77 0.25 0.98 0.00 0.00 173.24 172.36 1sjf h LEU 49 N -2.56 0.34 -0.15 2.42 5.85 -1.97 -0.50 115.31 118.74 1sjf h LEU 49 Ca -0.60 0.06 -0.22 0.00 0.84 0.00 0.00 57.88 57.96 1sjf h LEU 49 Cb 1.34 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 1sjf h LEU 49 CO 0.51 0.21 -0.97 0.50 -0.34 0.00 0.00 178.44 178.35 1sjf h LYS 50 N 0.50 0.22 -0.11 1.25 3.64 -1.96 -3.36 116.57 116.75 1sjf h LYS 50 Ca 0.30 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1sjf h LYS 50 Cb 0.32 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1sjf h LYS 50 CO -0.26 1.03 0.00 -1.33 -2.27 0.00 0.00 179.45 176.62 1sjf n MET 51 N -3.61 1.79 -2.22 1.90 2.81 -1.10 -4.99 117.12 111.69 1sjf n MET 51 Ca -0.05 -1.74 -0.35 0.00 -1.81 0.00 0.00 57.70 53.75 1sjf n MET 51 Cb 0.87 -1.37 0.01 0.00 -0.71 0.00 0.00 33.22 32.01 1sjf n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1sjf s ARG 52 N -1.47 3.31 0.00 0.03 1.70 -0.21 -3.08 118.95 119.22 1sjf s ARG 52 Ca 0.25 1.61 0.00 0.00 -0.47 0.00 0.00 55.73 57.12 1sjf s ARG 52 Cb 0.16 -2.00 0.00 0.00 -0.57 0.00 0.00 34.95 32.55 1sjf s ARG 52 CO 0.24 -0.89 0.00 0.41 -1.08 0.00 0.00 175.30 173.98 1sjf n GLY 53 N 0.15 0.62 3.37 3.88 0.00 -1.26 -4.96 105.19 106.98 1sjf n GLY 53 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 1sjf n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sjf s GLN 54 N -0.20 1.42 -0.02 1.61 -0.21 -1.18 -1.72 119.66 119.37 1sjf s GLN 54 Ca 0.00 -1.73 -0.29 0.00 0.02 0.00 0.00 55.36 53.36 1sjf s GLN 54 Cb 0.00 -0.75 0.07 0.00 1.00 0.00 0.00 33.01 33.33 1sjf s GLN 54 CO 0.00 -0.09 0.65 0.00 -2.12 0.00 0.00 175.29 173.73 1sjf s ALA 55 N -3.33 -1.69 -0.25 6.09 0.00 0.14 -4.52 121.76 118.20 1sjf s ALA 55 Ca 0.30 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.41 1sjf s ALA 55 Cb 0.06 0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.34 1sjf s ALA 55 CO 0.10 -0.42 -0.09 -0.06 0.00 0.00 0.00 175.76 175.29 1sjf s PHE 56 N -1.56 3.10 -0.39 0.00 0.40 -0.85 -0.71 117.98 117.96 1sjf s PHE 56 Ca -0.09 -1.84 -0.16 0.00 -0.60 0.00 0.00 56.93 54.23 1sjf s PHE 56 Cb -0.00 -2.00 0.01 0.00 0.51 0.00 0.00 43.02 41.54 1sjf s PHE 56 CO 0.06 -0.80 0.38 0.08 0.70 0.00 0.00 175.22 175.65 1sjf s VAL 57 N 1.24 5.15 -0.57 -0.44 1.01 -0.05 -1.27 120.40 125.47 1sjf s VAL 57 Ca -0.02 -0.27 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 1sjf s VAL 57 Cb -0.17 -3.94 0.09 0.00 0.00 0.00 0.00 36.38 32.36 1sjf s VAL 57 CO -0.06 -0.29 0.68 -0.63 0.00 0.00 0.00 175.10 174.81 1sjf s ILE 58 N 2.01 4.84 0.38 2.22 1.01 0.52 -1.40 121.20 130.78 1sjf s ILE 58 Ca 0.11 -0.90 -0.17 0.00 0.00 0.00 0.00 60.65 59.69 1sjf s ILE 58 Cb -0.17 -4.44 -0.09 0.00 0.01 0.00 0.00 42.46 37.76 1sjf s ILE 58 CO 0.12 -1.05 0.83 -0.36 0.00 0.00 0.00 174.94 174.49 1sjf s PHE 59 N 2.64 3.36 0.03 3.97 0.08 -0.11 0.09 117.98 128.04 1sjf s PHE 59 Ca 0.12 1.36 0.14 0.00 0.12 0.00 0.00 56.93 58.67 1sjf s PHE 59 Cb -0.23 -2.66 0.18 0.00 -0.57 0.00 0.00 43.02 39.74 1sjf s PHE 59 CO 0.07 -0.02 1.49 -0.22 -0.10 0.00 0.00 175.22 176.44 1sjf h LYS 60 N 1.98 0.00 -4.45 0.44 3.64 -1.77 -3.43 116.57 112.98 1sjf h LYS 60 Ca -0.48 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.37 1sjf h LYS 60 Cb 1.18 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 32.65 1sjf h LYS 60 CO 0.63 0.60 -0.81 -1.21 -2.27 0.00 0.00 179.45 176.39 1sjf s GLU 61 N -3.12 1.72 0.39 1.90 2.02 -1.26 -5.03 118.70 115.32 1sjf s GLU 61 Ca 0.02 -0.37 0.21 0.00 0.02 0.00 0.00 54.97 54.84 1sjf s GLU 61 Cb 0.09 -1.56 1.21 0.00 0.10 0.00 0.00 34.13 33.98 1sjf s GLU 61 CO 0.75 -0.11 1.68 0.28 0.02 0.00 0.00 175.26 177.88 1sjf h VAL 62 N 6.05 0.31 -0.56 2.63 2.07 -1.84 0.13 116.25 125.03 1sjf h VAL 62 Ca -0.31 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.17 1sjf h VAL 62 Cb 1.16 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 1sjf h VAL 62 CO 0.45 0.05 0.29 0.77 0.02 0.00 0.00 177.57 179.15 1sjf h SER 63 N 0.26 0.42 -0.16 0.57 4.64 -1.96 0.15 113.55 117.47 1sjf h SER 63 Ca 0.72 0.03 0.04 0.00 -0.47 0.00 0.00 61.79 62.11 1sjf h SER 63 Cb 1.94 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.94 1sjf h SER 63 CO -0.44 0.28 -0.09 0.28 -0.87 0.00 0.00 176.83 175.99 1sjf h SER 64 N 0.56 -0.29 -0.78 4.97 0.02 -0.92 0.46 113.55 117.56 1sjf h SER 64 Ca 0.25 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.30 1sjf h SER 64 Cb 0.16 0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.81 1sjf h SER 64 CO -0.17 -0.12 0.50 0.00 -1.14 0.00 0.00 176.83 175.90 1sjf h ALA 65 N 1.06 1.02 -0.24 3.77 0.00 -1.26 -0.10 119.26 123.51 1sjf h ALA 65 Ca 0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1sjf h ALA 65 Cb 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1sjf h ALA 65 CO -0.21 0.31 0.13 1.15 0.00 0.00 0.00 179.25 180.63 1sjf h THR 66 N 0.97 1.11 0.32 0.00 2.02 0.55 0.81 112.91 118.69 1sjf h THR 66 Ca 0.31 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1sjf h THR 66 Cb 0.00 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1sjf h THR 66 CO -0.11 0.11 -0.21 0.78 0.37 0.00 0.00 175.52 176.46 1sjf h ASN 67 N 0.28 -0.53 -0.59 4.18 4.21 0.39 -1.78 115.58 121.73 1sjf h ASN 67 Ca 0.08 0.04 0.10 0.00 1.21 0.00 0.00 56.30 57.73 1sjf h ASN 67 Cb 0.05 0.16 -0.08 0.00 -1.12 0.00 0.00 38.32 37.34 1sjf h ASN 67 CO -0.01 -0.33 0.17 0.00 -1.29 0.00 0.00 177.43 175.97 1sjf h ALA 68 N 0.13 0.73 -0.42 -0.83 0.00 -0.93 -1.12 119.26 116.83 1sjf h ALA 68 Ca -0.03 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1sjf h ALA 68 Cb 0.43 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1sjf h ALA 68 CO 0.02 -0.26 0.22 1.25 0.00 0.00 0.00 179.25 180.49 1sjf h LEU 69 N 0.32 0.34 -1.06 0.00 5.85 -0.54 -1.39 115.31 118.83 1sjf h LEU 69 Ca 0.31 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.94 1sjf h LEU 69 Cb 0.42 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1sjf h LEU 69 CO -0.35 0.24 -0.46 0.03 -0.34 0.00 0.00 178.44 177.56 1sjf h ARG 70 N 0.45 0.03 0.04 1.25 3.08 -0.53 -3.16 114.38 115.54 1sjf h ARG 70 Ca 0.18 -0.01 -0.28 0.00 0.07 0.00 0.00 59.98 59.94 1sjf h ARG 70 Cb 0.07 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 1sjf h ARG 70 CO -0.11 0.48 -1.51 0.43 -1.07 0.00 0.00 179.97 178.19 1sjf n SER 71 N -3.99 1.95 -0.03 7.04 7.64 -0.50 -4.34 113.62 121.39 1sjf n SER 71 Ca -0.02 0.36 0.15 0.00 1.01 0.00 0.00 58.87 60.37 1sjf n SER 71 Cb 0.48 -0.94 0.76 0.00 -1.01 0.00 0.00 64.21 63.51 1sjf n SER 71 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1sjf n MET 72 N -4.13 0.61 -1.67 1.43 2.81 -0.55 -4.80 117.12 110.83 1sjf n MET 72 Ca -0.32 -0.06 -0.45 0.00 -1.81 0.00 0.00 57.70 55.06 1sjf n MET 72 Cb 0.80 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.79 1sjf n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1sjf n GLN 73 N -1.15 1.99 -0.11 0.03 -0.06 -1.19 -0.86 117.38 116.03 1sjf n GLN 73 Ca 0.16 0.71 0.00 0.00 -2.00 0.00 0.00 57.00 55.87 1sjf n GLN 73 Cb 0.22 -2.35 0.00 0.00 -4.06 0.00 0.00 30.24 24.05 1sjf n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1sjf n GLY 74 N 2.13 2.26 3.70 1.69 0.00 -0.84 -4.98 105.19 109.15 1sjf n GLY 74 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 1sjf n GLY 74 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1sjf n PHE 75 N -2.00 2.50 -2.36 1.61 7.35 -0.04 -4.28 117.46 120.24 1sjf n PHE 75 Ca 0.00 0.28 -0.43 0.00 -0.76 0.00 0.00 57.45 56.54 1sjf n PHE 75 Cb 0.00 -2.56 -0.02 0.00 0.35 0.00 0.00 39.48 37.25 1sjf n PHE 75 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1sjf s PRO 76 N 0.11 4.08 -0.05 -7.13 0.02 -1.26 -0.39 135.00 130.38 1sjf s PRO 76 Ca 0.70 1.56 -0.01 0.00 0.02 0.00 0.00 61.00 63.28 1sjf s PRO 76 Cb -0.58 -3.85 0.03 0.00 0.02 0.00 0.00 34.50 30.12 1sjf s PRO 76 CO 0.44 -0.91 0.01 0.12 -0.33 0.00 0.00 177.00 176.33 1sjf s PHE 77 N 4.00 0.43 -1.47 6.54 5.36 0.93 -4.78 117.98 128.99 1sjf s PHE 77 Ca 0.58 -0.02 -0.10 0.00 -0.96 0.00 0.00 56.93 56.43 1sjf s PHE 77 Cb -0.21 -0.61 0.06 0.00 -0.34 0.00 0.00 43.02 41.92 1sjf s PHE 77 CO 0.20 -0.23 0.92 0.66 -1.46 0.00 0.00 175.22 175.31 1sjf n TYR 78 N 4.84 -2.24 -1.08 10.12 4.01 -1.26 -1.43 117.16 130.12 1sjf n TYR 78 Ca -0.13 0.90 -0.03 0.00 -0.16 0.00 0.00 57.90 58.48 1sjf n TYR 78 Cb 0.50 -4.15 -0.01 0.00 -0.31 0.00 0.00 39.34 35.37 1sjf n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1sjf n ASP 79 N -2.90 -4.81 -4.07 7.72 8.00 -1.26 -4.77 116.55 114.46 1sjf n ASP 79 Ca -0.05 0.07 -0.16 0.00 0.71 0.00 0.00 54.79 55.37 1sjf n ASP 79 Cb 0.57 -2.57 -0.12 0.00 -0.02 0.00 0.00 41.12 38.98 1sjf n ASP 79 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1sjf s LYS 80 N -1.66 0.62 -0.22 -1.24 1.02 -0.51 -5.09 119.74 112.66 1sjf s LYS 80 Ca 0.00 -0.67 -0.29 0.00 0.02 0.00 0.00 55.97 55.03 1sjf s LYS 80 Cb 0.00 -0.51 0.01 0.00 -0.52 0.00 0.00 37.83 36.81 1sjf s LYS 80 CO 0.00 0.12 1.03 -2.14 -0.92 0.00 0.00 175.35 173.43 1sjf s PRO 81 N -1.22 4.27 0.59 -1.68 0.02 -1.26 -0.05 135.00 135.67 1sjf s PRO 81 Ca -0.04 1.34 -0.19 0.00 0.02 0.00 0.00 61.00 62.12 1sjf s PRO 81 Cb -0.08 -3.63 -0.03 0.00 0.02 0.00 0.00 34.50 30.77 1sjf s PRO 81 CO 0.01 -0.61 1.27 -1.64 -0.33 0.00 0.00 177.00 175.70 1sjf s MET 82 N 3.11 2.91 -0.29 5.54 -1.94 0.48 -4.85 119.30 124.27 1sjf s MET 82 Ca 0.44 2.01 0.02 0.00 -1.71 0.00 0.00 55.69 56.45 1sjf s MET 82 Cb -0.15 -2.01 0.08 0.00 2.01 0.00 0.00 34.83 34.76 1sjf s MET 82 CO 0.07 -1.31 0.00 0.50 -0.01 0.00 0.00 175.02 174.27 1sjf s ARG 83 N -3.21 1.52 0.06 2.03 3.52 -1.05 -1.98 118.95 119.84 1sjf s ARG 83 Ca 0.77 -1.38 0.02 0.00 -0.13 0.00 0.00 55.73 55.01 1sjf s ARG 83 Cb -0.35 -2.76 -0.04 0.00 -1.56 0.00 0.00 34.95 30.24 1sjf s ARG 83 CO 0.39 -0.78 0.08 0.42 -0.81 0.00 0.00 175.30 174.59 1sjf s ILE 84 N 1.21 4.56 0.37 4.11 1.01 -1.26 -1.83 121.20 129.37 1sjf s ILE 84 Ca 0.02 -0.69 -0.09 0.00 0.00 0.00 0.00 60.65 59.89 1sjf s ILE 84 Cb -0.19 -3.17 0.03 0.00 0.01 0.00 0.00 42.46 39.15 1sjf s ILE 84 CO -0.10 0.18 0.65 -1.10 0.00 0.00 0.00 174.94 174.57 1sjf s GLN 85 N -2.23 2.12 0.25 2.79 -0.21 -0.62 -5.01 119.66 116.74 1sjf s GLN 85 Ca 0.28 -1.62 -0.14 0.00 0.02 0.00 0.00 55.36 53.90 1sjf s GLN 85 Cb -0.12 0.54 -0.08 0.00 1.00 0.00 0.00 33.01 34.35 1sjf s GLN 85 CO 0.20 -0.94 0.64 0.71 -2.12 0.00 0.00 175.29 173.77 1sjf s TYR 86 N -2.57 3.47 0.53 0.91 2.02 -1.26 -0.86 117.35 119.58 1sjf s TYR 86 Ca 0.23 1.10 -0.20 0.00 -0.37 0.00 0.00 57.07 57.82 1sjf s TYR 86 Cb -0.03 -2.42 -0.06 0.00 -0.40 0.00 0.00 41.96 39.04 1sjf s TYR 86 CO 0.16 0.25 1.13 0.00 -1.57 0.00 0.00 175.55 175.51 1sjf s ALA 87 N -1.77 2.75 0.15 3.71 0.00 0.11 -4.52 121.76 122.18 1sjf s ALA 87 Ca 0.47 0.82 -0.14 0.00 0.00 0.00 0.00 51.96 53.12 1sjf s ALA 87 Cb -0.12 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.67 1sjf s ALA 87 CO 0.19 -0.72 1.68 0.87 0.00 0.00 0.00 175.76 177.79 1sjf h LYS 88 N 1.34 0.75 -5.42 0.00 1.57 -1.92 -3.45 116.57 109.44 1sjf h LYS 88 Ca -0.50 -0.15 -0.41 0.00 -1.87 0.00 0.00 60.65 57.71 1sjf h LYS 88 Cb 1.26 -0.11 -0.16 0.00 0.08 0.00 0.00 32.23 33.30 1sjf h LYS 88 CO 0.57 0.69 -0.74 0.95 -0.57 0.00 0.00 179.45 180.36 1sjf s THR 89 N -5.45 1.49 0.75 -0.16 -4.23 -1.26 -4.95 115.64 101.83 1sjf s THR 89 Ca -0.13 -2.02 -0.14 0.00 -1.18 0.00 0.00 61.69 58.21 1sjf s THR 89 Cb 0.11 -1.85 0.05 0.00 1.34 0.00 0.00 72.50 72.16 1sjf s THR 89 CO 0.78 -0.57 1.20 -1.81 -0.54 0.00 0.00 174.62 173.68 1sjf s ASP 90 N -3.01 4.04 0.12 3.99 1.11 -1.26 -4.95 116.67 116.70 1sjf s ASP 90 Ca 0.17 2.35 -0.11 0.00 0.18 0.00 0.00 52.55 55.14 1sjf s ASP 90 Cb -0.01 -2.59 -0.06 0.00 1.07 0.00 0.00 42.92 41.33 1sjf s ASP 90 CO 0.04 -2.37 0.47 -0.44 1.18 0.00 0.00 175.17 174.05 1sjf s SER 91 N -2.09 6.70 0.27 0.27 0.01 -1.26 -4.88 113.70 112.71 1sjf s SER 91 Ca 0.74 0.90 -0.05 0.00 1.31 0.00 0.00 55.95 58.84 1sjf s SER 91 Cb -0.29 -2.22 0.51 0.00 0.21 0.00 0.00 66.02 64.24 1sjf s SER 91 CO 0.47 0.12 1.61 0.44 0.41 0.00 0.00 173.24 176.29 1sjf h ASP 92 N 3.51 -0.48 -0.93 2.44 3.32 -1.98 1.02 116.42 123.32 1sjf h ASP 92 Ca -0.49 0.23 0.27 0.00 0.02 0.00 0.00 57.03 57.07 1sjf h ASP 92 Cb 1.19 0.43 -0.04 0.00 0.22 0.00 0.00 39.33 41.13 1sjf h ASP 92 CO 0.67 -0.25 0.67 0.16 -1.72 0.00 0.00 179.24 178.76 1sjf h ILE 93 N 0.06 0.54 0.13 0.35 -2.65 -1.99 0.45 117.51 114.41 1sjf h ILE 93 Ca 0.47 -0.00 -0.24 0.00 1.03 0.00 0.00 64.86 66.11 1sjf h ILE 93 Cb 0.84 0.53 0.01 0.00 -2.05 0.00 0.00 36.82 36.15 1sjf h ILE 93 CO -0.79 0.00 -1.14 0.40 0.03 0.00 0.00 178.15 176.65 1sjf h ILE 94 N 0.01 1.26 0.02 0.16 1.08 0.67 -3.36 117.51 117.36 1sjf h ILE 94 Ca 0.44 -2.48 0.03 0.00 -0.39 0.00 0.00 64.86 62.46 1sjf h ILE 94 Cb 1.76 2.95 -0.04 0.00 -3.07 0.00 0.00 36.82 38.42 1sjf h ILE 94 CO -0.01 0.71 -0.20 0.00 -0.69 0.00 0.00 178.15 177.96 1sjf h ALA 95 N 0.02 -0.27 0.00 1.87 0.00 0.40 -0.03 119.26 121.26 1sjf h ALA 95 Ca -0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1sjf h ALA 95 Cb 1.73 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1sjf h ALA 95 CO 0.11 -0.70 0.32 1.63 0.00 0.00 0.00 179.25 180.61 1sjf n LYS 96 N -5.33 0.00 0.00 0.00 5.02 0.13 -3.44 118.16 114.53 1sjf n LYS 96 Ca -0.05 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1sjf n LYS 96 Cb 0.25 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 1sjf n LYS 96 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1sjf n MET 97 N -1.17 0.00 0.00 1.97 2.81 -0.12 -5.09 117.12 115.52 1sjf n MET 97 Ca 0.00 0.00 0.16 0.00 -1.81 0.00 0.00 57.70 56.05 1sjf n MET 97 Cb 0.32 0.00 0.94 0.00 -0.71 0.00 0.00 33.22 33.77 1sjf n MET 97 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11