#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfb s ASP 14 N 0.00 6.34 0.00 7.72 3.68 -1.26 -4.83 116.67 128.32 2jfb s ASP 14 Ca 0.00 0.40 0.05 0.00 2.13 0.00 0.00 52.55 55.13 2jfb s ASP 14 Cb 0.00 -2.23 0.12 0.00 -1.45 0.00 0.00 42.92 39.37 2jfb s ASP 14 CO 0.00 -0.15 1.02 0.61 0.13 0.00 0.00 175.17 176.78 2jfb n GLY 15 N 4.35 2.01 0.27 2.66 0.00 0.39 -4.72 105.19 110.14 2jfb n GLY 15 Ca -0.08 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 45.84 2jfb n GLY 15 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jfb h SER 16 N 0.99 0.08 -0.20 1.61 4.64 -1.70 -2.25 113.55 116.72 2jfb h SER 16 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jfb h SER 16 Cb 0.52 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2jfb h SER 16 CO 0.00 0.07 0.00 0.29 -0.87 0.00 0.00 176.83 176.32 2jfb n LYS 17 N -4.51 2.19 -3.71 4.77 5.02 -1.26 -4.64 118.16 116.01 2jfb n LYS 17 Ca -0.02 -1.77 -0.31 0.00 -2.02 0.00 0.00 58.31 54.19 2jfb n LYS 17 Cb 0.10 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.59 2jfb n LYS 17 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jfb s LEU 18 N -1.70 4.28 -0.21 -0.35 1.43 -0.85 -5.08 118.68 116.20 2jfb s LEU 18 Ca 0.34 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 2jfb s LEU 18 Cb 0.21 -3.25 0.02 0.00 0.03 0.00 0.00 46.19 43.20 2jfb s LEU 18 CO 0.30 0.06 -0.14 -0.60 0.23 0.00 0.00 176.35 176.20 2jfb s ARG 19 N -2.68 2.90 -0.13 1.70 3.52 -1.26 -4.72 118.95 118.28 2jfb s ARG 19 Ca 0.40 -0.90 -0.02 0.00 -0.13 0.00 0.00 55.73 55.07 2jfb s ARG 19 Cb -0.12 -2.74 -0.03 0.00 -1.56 0.00 0.00 34.95 30.50 2jfb s ARG 19 CO 0.25 -0.29 -0.06 0.42 -0.81 0.00 0.00 175.30 174.82 2jfb s ILE 20 N 1.29 3.75 -0.09 4.11 -1.09 -0.22 0.03 121.20 128.98 2jfb s ILE 20 Ca 0.02 -0.42 -0.11 0.00 -2.23 0.00 0.00 60.65 57.91 2jfb s ILE 20 Cb -0.15 -2.61 -0.05 0.00 -1.58 0.00 0.00 42.46 38.07 2jfb s ILE 20 CO -0.09 0.52 0.26 -0.83 -1.23 0.00 0.00 174.94 173.57 2jfb s GLY 21 N 0.11 2.27 -0.24 6.18 0.00 -0.44 -1.54 107.32 113.66 2jfb s GLY 21 Ca -0.02 -0.47 0.02 0.00 0.00 0.00 0.00 44.72 44.25 2jfb s GLY 21 CO 0.03 -0.03 -0.12 -0.42 0.00 0.00 0.00 173.10 172.56 2jfb s ILE 22 N -0.72 2.29 -0.28 0.90 1.01 0.62 -0.33 121.20 124.70 2jfb s ILE 22 Ca 0.18 -1.37 -0.04 0.00 0.00 0.00 0.00 60.65 59.42 2jfb s ILE 22 Cb -0.14 -2.23 0.02 0.00 0.01 0.00 0.00 42.46 40.12 2jfb s ILE 22 CO 0.07 0.13 0.01 -0.22 0.00 0.00 0.00 174.94 174.93 2jfb s LEU 23 N 1.19 3.56 0.02 2.97 2.96 -0.91 -0.24 118.68 128.23 2jfb s LEU 23 Ca -0.04 -0.84 0.09 0.00 -0.22 0.00 0.00 54.13 53.12 2jfb s LEU 23 Cb -0.18 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 2jfb s LEU 23 CO -0.07 -0.17 -0.26 -1.38 -1.32 0.00 0.00 176.35 173.15 2jfb s HIS 24 N 1.40 2.28 0.90 5.38 -3.43 -0.38 0.15 115.29 121.59 2jfb s HIS 24 Ca 0.01 -0.42 -0.12 0.00 -0.80 0.00 0.00 55.06 53.73 2jfb s HIS 24 Cb -0.17 -1.41 0.13 0.00 -1.43 0.00 0.00 32.58 29.70 2jfb s HIS 24 CO -0.01 0.06 1.10 0.00 -2.00 0.00 0.00 174.74 173.89 2jfb s ALA 25 N -0.72 1.55 -1.12 -1.38 0.00 -0.05 -1.57 121.76 118.46 2jfb s ALA 25 Ca 0.11 -0.19 0.09 0.00 0.00 0.00 0.00 51.96 51.97 2jfb s ALA 25 Cb -0.10 -3.15 0.07 0.00 0.00 0.00 0.00 23.12 19.94 2jfb s ALA 25 CO 0.01 -2.35 0.77 0.54 0.00 0.00 0.00 175.76 174.73 2jfb n ARG 26 N -3.86 0.44 -2.86 0.00 1.74 -0.83 -4.84 116.66 106.45 2jfb n ARG 26 Ca 0.07 -1.01 -0.35 0.00 -0.77 0.00 0.00 57.85 55.79 2jfb n ARG 26 Cb 0.56 -1.16 -0.07 0.00 -1.02 0.00 0.00 32.46 30.77 2jfb n ARG 26 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2jfb s TRP 27 N -0.81 3.51 -1.17 -1.55 0.52 -1.24 -3.98 118.94 114.23 2jfb s TRP 27 Ca 0.10 1.62 -0.09 0.00 0.02 0.00 0.00 56.10 57.76 2jfb s TRP 27 Cb 0.08 -2.83 -0.02 0.00 -1.15 0.00 0.00 33.47 29.54 2jfb s TRP 27 CO 0.12 0.09 0.81 0.09 0.02 0.00 0.00 176.95 178.08 2jfb n ASN 28 N 0.02 -4.17 -0.31 2.95 3.02 -1.26 -4.60 115.26 110.91 2jfb n ASN 28 Ca 0.04 -0.84 -0.01 0.00 -0.03 0.00 0.00 54.58 53.73 2jfb n ASN 28 Cb 0.52 -4.24 0.16 0.00 -0.61 0.00 0.00 39.78 35.61 2jfb n ASN 28 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2jfb h ARG 29 N -1.65 1.19 -0.51 3.52 9.65 -1.93 -1.24 114.38 123.41 2jfb h ARG 29 Ca -0.63 -0.08 0.07 0.00 -1.10 0.00 0.00 59.98 58.25 2jfb h ARG 29 Cb 1.34 -0.26 -0.06 0.00 -1.39 0.00 0.00 29.97 29.60 2jfb h ARG 29 CO 0.50 0.79 0.18 -0.22 2.80 0.00 0.00 179.97 184.02 2jfb h LYS 30 N 1.22 0.35 -0.17 0.20 3.64 -1.94 -0.61 116.57 119.26 2jfb h LYS 30 Ca 0.33 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.51 2jfb h LYS 30 Cb -0.13 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.62 2jfb h LYS 30 CO -0.07 0.23 -0.58 0.82 -2.27 0.00 0.00 179.45 177.57 2jfb h ILE 31 N 0.36 1.31 -0.37 2.00 2.04 -1.81 -3.12 117.51 117.91 2jfb h ILE 31 Ca 0.25 -1.82 0.07 0.00 1.00 0.00 0.00 64.86 64.35 2jfb h ILE 31 Cb 0.27 1.97 -0.06 0.00 -0.74 0.00 0.00 36.82 38.26 2jfb h ILE 31 CO -0.25 0.57 -0.04 0.40 0.00 0.00 0.00 178.15 178.82 2jfb h ILE 32 N 0.38 0.68 -0.83 -0.67 1.08 -0.90 -1.96 117.51 115.28 2jfb h ILE 32 Ca -0.03 -0.02 -0.02 0.00 -0.39 0.00 0.00 64.86 64.41 2jfb h ILE 32 Cb 1.21 0.62 -0.04 0.00 -3.07 0.00 0.00 36.82 35.54 2jfb h ILE 32 CO 0.12 0.01 0.45 0.44 -0.69 0.00 0.00 178.15 178.49 2jfb h ASP 33 N 0.05 1.04 -0.68 1.72 3.32 -1.17 -0.60 116.42 120.10 2jfb h ASP 33 Ca 0.18 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 2jfb h ASP 33 Cb 0.26 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2jfb h ASP 33 CO -0.34 0.84 0.13 0.00 -1.72 0.00 0.00 179.24 178.15 2jfb h ALA 34 N 1.24 0.91 -0.35 3.45 0.00 -1.41 0.40 119.26 123.50 2jfb h ALA 34 Ca 0.29 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2jfb h ALA 34 Cb 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2jfb h ALA 34 CO -0.05 0.66 -0.01 -0.07 0.00 0.00 0.00 179.25 179.78 2jfb h LEU 35 N 1.05 0.62 -0.37 0.00 3.38 -1.03 -1.82 115.31 117.15 2jfb h LEU 35 Ca 0.21 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2jfb h LEU 35 Cb 0.42 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2jfb h LEU 35 CO 0.01 0.79 0.17 0.58 0.09 0.00 0.00 178.44 180.08 2jfb h VAL 36 N 0.43 1.18 -0.93 1.22 2.07 -0.97 -1.31 116.25 117.95 2jfb h VAL 36 Ca 0.10 -0.51 0.09 0.00 0.82 0.00 0.00 66.70 67.19 2jfb h VAL 36 Cb 0.48 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 31.01 2jfb h VAL 36 CO 0.02 0.19 0.60 0.00 0.02 0.00 0.00 177.57 178.40 2jfb h ALA 37 N 1.02 1.56 -0.31 1.67 0.00 -0.89 0.14 119.26 122.45 2jfb h ALA 37 Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2jfb h ALA 37 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2jfb h ALA 37 CO -0.01 0.27 0.12 0.78 0.00 0.00 0.00 179.25 180.40 2jfb h GLY 38 N 0.98 0.50 0.98 0.00 0.00 -0.80 -0.33 103.07 104.39 2jfb h GLY 38 Ca 0.42 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 2jfb h GLY 38 CO -0.18 0.26 0.20 0.00 0.00 0.00 0.00 176.54 176.81 2jfb h ALA 39 N 0.96 0.41 0.15 3.60 0.00 -0.66 -2.48 119.26 121.25 2jfb h ALA 39 Ca 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jfb h ALA 39 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2jfb h ALA 39 CO -0.01 -0.09 -0.11 0.28 0.00 0.00 0.00 179.25 179.32 2jfb h VAL 40 N 0.42 0.75 -0.53 0.00 2.07 -0.88 -1.05 116.25 117.02 2jfb h VAL 40 Ca 0.12 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.73 2jfb h VAL 40 Cb 0.01 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 2jfb h VAL 40 CO -0.02 0.00 0.11 0.50 0.02 0.00 0.00 177.57 178.17 2jfb h LYS 41 N -0.27 0.24 -0.11 1.57 3.64 -1.00 -1.65 116.57 118.99 2jfb h LYS 41 Ca -0.01 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.16 2jfb h LYS 41 Cb 0.24 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2jfb h LYS 41 CO -0.01 0.16 -0.75 -0.09 -2.27 0.00 0.00 179.45 176.49 2jfb h ARG 42 N 0.24 0.57 -0.34 1.90 9.65 -1.34 -2.62 114.38 122.44 2jfb h ARG 42 Ca 0.27 -0.47 0.05 0.00 -1.10 0.00 0.00 59.98 58.73 2jfb h ARG 42 Cb 0.37 0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 29.01 2jfb h ARG 42 CO -0.35 1.09 0.07 -0.07 2.80 0.00 0.00 179.97 183.52 2jfb h LEU 43 N 0.39 0.03 -1.15 3.80 4.07 -0.81 -1.73 115.31 119.90 2jfb h LEU 43 Ca -0.04 0.05 -0.06 0.00 0.08 0.00 0.00 57.88 57.91 2jfb h LEU 43 Cb 1.35 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 43.14 2jfb h LEU 43 CO 0.14 0.05 -0.08 1.56 -1.08 0.00 0.00 178.44 179.03 2jfb h GLN 44 N 0.20 0.49 0.00 1.13 4.20 -1.28 -1.78 115.11 118.07 2jfb h GLN 44 Ca 0.16 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2jfb h GLN 44 Cb 0.18 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2jfb h GLN 44 CO -0.21 0.59 0.00 0.93 -0.67 0.00 0.00 178.83 179.47 2jfb h GLU 45 N 0.46 0.00 -0.40 1.46 5.08 -1.08 -2.64 114.58 117.46 2jfb h GLU 45 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2jfb h GLU 45 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2jfb h GLU 45 CO 0.02 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.22 2jfb n PHE 46 N -2.91 0.52 0.00 4.33 3.01 -0.69 -4.94 117.46 116.79 2jfb n PHE 46 Ca 0.02 -0.26 0.00 0.00 1.01 0.00 0.00 57.45 58.21 2jfb n PHE 46 Cb 0.33 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 2jfb n PHE 46 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jfb n GLY 47 N 1.34 1.17 3.68 1.37 0.00 -1.00 -0.46 105.19 111.29 2jfb n GLY 47 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2jfb n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jfb s VAL 48 N -2.33 2.93 0.39 1.61 1.01 -0.84 -3.62 120.40 119.56 2jfb s VAL 48 Ca 0.00 0.33 -0.24 0.00 0.00 0.00 0.00 61.98 62.07 2jfb s VAL 48 Cb 0.00 -3.21 -0.09 0.00 0.00 0.00 0.00 36.38 33.08 2jfb s VAL 48 CO 0.00 -0.01 1.06 -0.54 0.00 0.00 0.00 175.10 175.61 2jfb s LYS 49 N 2.95 4.19 0.54 2.72 1.02 -1.26 -3.97 119.74 125.92 2jfb s LYS 49 Ca 0.77 1.55 0.24 0.00 0.02 0.00 0.00 55.97 58.56 2jfb s LYS 49 Cb -0.41 -2.59 1.43 0.00 -0.52 0.00 0.00 37.83 35.74 2jfb s LYS 49 CO 0.34 -0.13 2.05 0.93 -0.92 0.00 0.00 175.35 177.62 2jfb h GLU 50 N 2.59 0.00 -0.00 1.68 5.08 -1.94 0.13 114.58 122.12 2jfb h GLU 50 Ca -0.48 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.80 2jfb h GLU 50 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2jfb h GLU 50 CO 0.63 0.00 -0.38 0.93 -1.00 0.00 0.00 179.01 179.19 2jfb h GLU 51 N 0.00 0.01 -0.66 2.33 3.07 -2.01 -3.09 114.58 114.22 2jfb h GLU 51 Ca 0.16 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 2jfb h GLU 51 Cb 0.69 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 2jfb h GLU 51 CO -0.00 0.38 0.00 0.09 -1.40 0.00 0.00 179.01 178.08 2jfb n ASN 52 N -4.09 4.32 -4.30 1.42 3.02 0.43 -4.74 115.26 111.32 2jfb n ASN 52 Ca -0.02 -2.31 -0.37 0.00 -0.03 0.00 0.00 54.58 51.85 2jfb n ASN 52 Cb 0.41 -0.54 -0.13 0.00 -0.61 0.00 0.00 39.78 38.92 2jfb n ASN 52 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jfb s ILE 53 N -1.63 3.80 -0.32 2.41 1.01 -1.13 -1.05 121.20 124.29 2jfb s ILE 53 Ca 0.48 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 60.10 2jfb s ILE 53 Cb 0.29 -3.07 0.02 0.00 0.01 0.00 0.00 42.46 39.71 2jfb s ILE 53 CO 0.26 -0.06 0.09 -0.63 0.00 0.00 0.00 174.94 174.60 2jfb s ILE 54 N 1.43 3.90 -0.24 2.92 -1.09 -0.59 -4.99 121.20 122.54 2jfb s ILE 54 Ca -0.00 -0.90 -0.11 0.00 -2.23 0.00 0.00 60.65 57.42 2jfb s ILE 54 Cb -0.18 -3.10 -0.05 0.00 -1.58 0.00 0.00 42.46 37.54 2jfb s ILE 54 CO 0.02 -0.04 0.17 -0.63 -1.23 0.00 0.00 174.94 173.23 2jfb s ILE 55 N 1.46 5.35 0.07 2.92 1.01 -1.26 -0.27 121.20 130.48 2jfb s ILE 55 Ca 0.01 0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.87 2jfb s ILE 55 Cb -0.18 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 2jfb s ILE 55 CO 0.03 0.33 -0.08 -0.70 0.00 0.00 0.00 174.94 174.52 2jfb s GLU 56 N 1.14 0.70 0.17 2.79 2.56 0.67 -4.98 118.70 121.75 2jfb s GLU 56 Ca 0.08 -1.02 0.11 0.00 0.00 0.00 0.00 54.97 54.13 2jfb s GLU 56 Cb -0.14 -0.33 -0.04 0.00 2.00 0.00 0.00 34.13 35.62 2jfb s GLU 56 CO 0.05 0.04 -0.22 0.95 -0.56 0.00 0.00 175.26 175.52 2jfb s THR 57 N -2.29 2.47 0.18 -1.70 -4.23 -1.26 -1.25 115.64 107.56 2jfb s THR 57 Ca 0.00 -1.89 0.06 0.00 -1.18 0.00 0.00 61.69 58.68 2jfb s THR 57 Cb -0.04 -2.17 -0.05 0.00 1.34 0.00 0.00 72.50 71.59 2jfb s THR 57 CO -0.01 -0.05 -0.10 0.68 -0.54 0.00 0.00 174.62 174.59 2jfb s VAL 58 N -1.50 1.38 0.07 2.29 -7.23 -0.61 -4.91 120.40 109.89 2jfb s VAL 58 Ca 0.20 -2.12 -0.34 0.00 -1.81 0.00 0.00 61.98 57.91 2jfb s VAL 58 Cb -0.09 -2.00 -0.19 0.00 0.56 0.00 0.00 36.38 34.67 2jfb s VAL 58 CO 0.10 -0.63 1.61 -0.65 -0.31 0.00 0.00 175.10 175.22 2jfb h PRO 59 N 2.65 -0.97 -5.04 4.82 0.11 -1.95 -2.53 132.00 129.09 2jfb h PRO 59 Ca -0.37 0.07 -0.49 0.00 0.11 0.00 0.00 66.00 65.31 2jfb h PRO 59 Cb 1.21 0.22 -0.14 0.00 0.11 0.00 0.00 31.00 32.40 2jfb h PRO 59 CO 0.63 -0.65 -0.55 0.20 -0.21 0.00 0.00 178.00 177.42 2jfb s GLY 60 N -2.06 2.30 0.42 -0.55 0.00 -1.26 -1.96 107.32 104.20 2jfb s GLY 60 Ca -0.18 -1.59 0.17 0.00 0.00 0.00 0.00 44.72 43.11 2jfb s GLY 60 CO 0.62 -1.75 1.89 1.76 0.00 0.00 0.00 173.10 175.61 2jfb h SER 61 N 2.00 0.00 0.18 1.64 0.02 -1.94 -2.08 113.55 113.37 2jfb h SER 61 Ca -0.36 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.56 2jfb h SER 61 Cb 1.26 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 2jfb h SER 61 CO 0.59 0.29 -0.12 0.15 -1.14 0.00 0.00 176.83 176.60 2jfb h PHE 62 N 0.00 0.00 0.00 3.45 3.57 -1.97 -2.24 116.94 119.75 2jfb h PHE 62 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2jfb h PHE 62 Cb 0.57 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.31 2jfb h PHE 62 CO 0.00 0.12 0.00 0.93 -2.23 0.00 0.00 178.31 177.13 2jfb h GLU 63 N 0.00 0.00 -0.41 1.11 3.07 -1.79 -3.38 114.58 113.18 2jfb h GLU 63 Ca -0.00 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 58.94 2jfb h GLU 63 Cb 0.25 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.07 2jfb h GLU 63 CO 0.02 0.00 -0.20 -0.07 -1.40 0.00 0.00 179.01 177.36 2jfb h LEU 64 N 0.00 -0.67 0.40 1.33 3.38 -1.42 0.23 115.31 118.56 2jfb h LEU 64 Ca 0.00 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2jfb h LEU 64 Cb 0.94 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 2jfb h LEU 64 CO 0.00 -0.23 -0.30 -0.65 0.09 0.00 0.00 178.44 177.35 2jfb h PRO 65 N -0.12 -0.67 -0.01 1.13 0.11 -1.77 0.30 132.00 130.98 2jfb h PRO 65 Ca 0.20 0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.24 2jfb h PRO 65 Cb 0.43 0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.67 2jfb h PRO 65 CO -0.49 -0.45 -0.54 -0.92 -0.21 0.00 0.00 178.00 175.40 2jfb h TYR 66 N -0.69 0.02 -0.82 0.65 3.20 -1.81 -2.53 116.97 114.98 2jfb h TYR 66 Ca -0.04 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.79 2jfb h TYR 66 Cb 0.60 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.83 2jfb h TYR 66 CO -0.14 0.55 0.36 0.78 -1.64 0.00 0.00 178.16 178.07 2jfb h GLY 67 N 1.61 1.30 0.99 1.82 0.00 -0.34 -1.19 103.07 107.26 2jfb h GLY 67 Ca -0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 2jfb h GLY 67 CO 0.07 0.64 0.30 1.76 0.00 0.00 0.00 176.54 179.32 2jfb h SER 68 N 1.19 0.76 -0.37 0.19 0.02 -0.06 0.17 113.55 115.45 2jfb h SER 68 Ca 0.28 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2jfb h SER 68 Cb 0.17 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 2jfb h SER 68 CO -0.03 0.66 0.22 0.50 -1.14 0.00 0.00 176.83 177.04 2jfb h LYS 69 N 0.81 0.50 -0.07 3.45 3.11 -1.21 0.52 116.57 123.68 2jfb h LYS 69 Ca 0.21 -0.05 -0.13 0.00 -2.81 0.00 0.00 60.65 57.87 2jfb h LYS 69 Cb 0.09 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.20 2jfb h LYS 69 CO -0.03 0.38 -0.53 -0.07 -2.81 0.00 0.00 179.45 176.38 2jfb h LEU 70 N 0.48 0.22 -0.26 5.20 3.38 -1.03 -1.51 115.31 121.80 2jfb h LEU 70 Ca 0.13 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2jfb h LEU 70 Cb 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2jfb h LEU 70 CO -0.03 0.71 -0.14 0.15 0.09 0.00 0.00 178.44 179.23 2jfb h PHE 71 N 0.16 0.64 -0.61 1.13 3.57 -0.44 -2.18 116.94 119.21 2jfb h PHE 71 Ca 0.00 -0.16 -0.10 0.00 3.53 0.00 0.00 57.97 61.24 2jfb h PHE 71 Cb 0.99 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 2jfb h PHE 71 CO 0.02 0.82 0.01 0.28 -2.23 0.00 0.00 178.31 177.20 2jfb h VAL 72 N 0.27 1.27 -0.23 1.41 2.07 -0.78 -2.52 116.25 117.73 2jfb h VAL 72 Ca 0.06 -1.15 -0.16 0.00 0.82 0.00 0.00 66.70 66.27 2jfb h VAL 72 Cb 0.66 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2jfb h VAL 72 CO 0.04 0.42 -0.49 -0.33 0.02 0.00 0.00 177.57 177.23 2jfb h GLU 73 N 0.97 0.63 -0.50 1.57 4.39 -1.30 -2.59 114.58 117.75 2jfb h GLU 73 Ca 0.17 -0.37 -0.10 0.00 0.34 0.00 0.00 59.36 59.40 2jfb h GLU 73 Cb 0.55 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 2jfb h GLU 73 CO 0.03 0.98 -0.10 -0.22 -1.16 0.00 0.00 179.01 178.54 2jfb h LYS 74 N 0.50 0.92 -0.16 2.33 3.64 -1.36 -1.99 116.57 120.44 2jfb h LYS 74 Ca 0.02 -0.32 -0.12 0.00 -1.27 0.00 0.00 60.65 58.97 2jfb h LYS 74 Cb 1.04 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 2jfb h LYS 74 CO 0.10 0.97 -0.41 1.96 -2.27 0.00 0.00 179.45 179.80 2jfb h GLN 75 N 0.82 0.37 -0.49 1.90 1.08 -1.40 0.01 115.11 117.41 2jfb h GLN 75 Ca 0.13 -0.18 -0.06 0.00 -1.45 0.00 0.00 58.65 57.09 2jfb h GLN 75 Cb 0.63 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.04 2jfb h GLN 75 CO 0.04 0.72 0.08 0.87 -0.95 0.00 0.00 178.83 179.60 2jfb h LYS 76 N 0.31 0.81 -0.26 1.46 1.57 -1.36 0.14 116.57 119.25 2jfb h LYS 76 Ca 0.03 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.54 2jfb h LYS 76 Cb 0.86 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 2jfb h LYS 76 CO 0.07 0.81 -0.08 -0.09 -0.57 0.00 0.00 179.45 179.59 2jfb h ARG 77 N 0.68 0.41 0.00 3.15 2.43 -1.05 -2.23 114.38 117.77 2jfb h ARG 77 Ca 0.15 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2jfb h ARG 77 Cb 0.39 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2jfb h ARG 77 CO 0.01 0.50 0.00 -0.11 -1.51 0.00 0.00 179.97 178.86 2jfb n LEU 78 N -4.26 0.75 0.00 3.80 7.94 -0.04 -4.91 117.00 120.28 2jfb n LEU 78 Ca 0.00 0.58 0.00 0.00 -1.11 0.00 0.00 56.01 55.48 2jfb n LEU 78 Cb 0.27 -0.35 0.00 0.00 0.53 0.00 0.00 43.42 43.87 2jfb n LEU 78 CO 0.39 -0.20 0.00 0.61 -1.11 0.00 0.00 177.39 177.08 2jfb n GLY 79 N 1.20 0.63 2.51 -3.96 0.00 -0.84 -4.99 105.19 99.73 2jfb n GLY 79 Ca 0.05 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 2jfb n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jfb n LYS 80 N -2.70 2.12 -2.26 1.61 4.76 0.45 -5.00 118.16 117.14 2jfb n LYS 80 Ca 0.00 -4.44 -0.36 0.00 -2.87 0.00 0.00 58.31 50.64 2jfb n LYS 80 Cb 0.00 -2.14 -0.00 0.00 -1.84 0.00 0.00 35.03 31.04 2jfb n LYS 80 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2jfb s PRO 81 N -2.05 3.50 0.07 1.97 0.04 -1.22 -4.45 135.00 132.87 2jfb s PRO 81 Ca 0.36 1.68 -0.20 0.00 0.04 0.00 0.00 61.00 62.87 2jfb s PRO 81 Cb 0.10 -2.16 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 2jfb s PRO 81 CO -0.06 -0.74 0.60 -0.51 0.04 0.00 0.00 177.00 176.32 2jfb s LEU 82 N -3.51 4.51 0.13 -3.56 1.43 -1.26 -4.67 118.68 111.75 2jfb s LEU 82 Ca 0.69 1.28 0.20 0.00 -1.03 0.00 0.00 54.13 55.27 2jfb s LEU 82 Cb -0.26 -2.94 -0.08 0.00 0.03 0.00 0.00 46.19 42.94 2jfb s LEU 82 CO 0.30 0.23 0.92 0.47 0.23 0.00 0.00 176.35 178.50 2jfb n ASP 83 N 1.91 0.84 -3.55 2.29 8.00 0.10 -4.97 116.55 121.18 2jfb n ASP 83 Ca -0.09 0.35 -0.11 0.00 0.71 0.00 0.00 54.79 55.65 2jfb n ASP 83 Cb 0.51 0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 41.90 2jfb n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jfb s ALA 84 N -3.14 -1.32 -0.01 2.24 0.00 -1.22 -4.14 121.76 114.17 2jfb s ALA 84 Ca -0.02 0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.15 2jfb s ALA 84 Cb 0.09 0.83 0.00 0.00 0.00 0.00 0.00 23.12 24.05 2jfb s ALA 84 CO 0.80 -0.76 -0.03 -1.50 0.00 0.00 0.00 175.76 174.27 2jfb s ILE 85 N -3.79 0.28 -0.49 0.00 2.07 -0.49 -1.33 121.20 117.44 2jfb s ILE 85 Ca 0.03 -0.13 -0.00 0.00 -1.41 0.00 0.00 60.65 59.14 2jfb s ILE 85 Cb -0.01 -0.25 0.13 0.00 0.13 0.00 0.00 42.46 42.46 2jfb s ILE 85 CO -0.10 0.09 0.27 -0.63 -1.91 0.00 0.00 174.94 172.66 2jfb s ILE 86 N 0.05 3.11 -0.15 2.00 1.01 0.55 -1.54 121.20 126.23 2jfb s ILE 86 Ca -0.00 -2.67 -0.29 0.00 0.00 0.00 0.00 60.65 57.69 2jfb s ILE 86 Cb -0.03 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 2jfb s ILE 86 CO -0.00 -0.76 1.43 -2.84 0.00 0.00 0.00 174.94 172.76 2jfb s PRO 87 N 0.41 4.14 -0.19 2.79 0.02 -1.24 -2.13 135.00 138.80 2jfb s PRO 87 Ca 0.13 1.79 -0.03 0.00 0.02 0.00 0.00 61.00 62.91 2jfb s PRO 87 Cb -0.22 -3.87 -0.01 0.00 0.02 0.00 0.00 34.50 30.41 2jfb s PRO 87 CO -0.04 -0.85 -0.06 0.42 -0.33 0.00 0.00 177.00 176.15 2jfb s ILE 88 N 3.93 3.44 0.03 2.83 1.01 0.12 -1.78 121.20 130.78 2jfb s ILE 88 Ca 0.62 -0.49 -0.05 0.00 0.00 0.00 0.00 60.65 60.73 2jfb s ILE 88 Cb -0.25 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.68 2jfb s ILE 88 CO 0.21 0.46 0.09 -0.83 0.00 0.00 0.00 174.94 174.87 2jfb s GLY 89 N 1.02 0.16 -0.20 6.18 0.00 -0.73 -0.87 107.32 112.89 2jfb s GLY 89 Ca 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 44.72 44.23 2jfb s GLY 89 CO 0.00 -0.63 -0.11 0.14 0.00 0.00 0.00 173.10 172.50 2jfb s VAL 90 N -2.35 1.66 -0.15 1.40 1.01 -1.26 -0.76 120.40 119.95 2jfb s VAL 90 Ca -0.07 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.92 2jfb s VAL 90 Cb -0.03 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.64 2jfb s VAL 90 CO -0.03 0.19 -0.18 -0.76 0.00 0.00 0.00 175.10 174.32 2jfb s LEU 91 N 1.39 2.34 -0.08 3.92 1.43 0.14 -4.80 118.68 123.02 2jfb s LEU 91 Ca -0.01 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 2jfb s LEU 91 Cb -0.16 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.55 2jfb s LEU 91 CO -0.08 0.08 -0.17 -0.63 0.23 0.00 0.00 176.35 175.77 2jfb s ILE 92 N 0.86 1.52 0.15 -0.59 1.01 -1.26 -0.74 121.20 122.15 2jfb s ILE 92 Ca -0.05 -0.70 -0.34 0.00 0.00 0.00 0.00 60.65 59.56 2jfb s ILE 92 Cb -0.15 -1.34 -0.13 0.00 0.01 0.00 0.00 42.46 40.84 2jfb s ILE 92 CO -0.02 0.44 1.61 1.17 0.00 0.00 0.00 174.94 178.15 2jfb n LYS 93 N 3.68 2.23 0.00 2.79 3.00 -0.59 -4.88 118.16 124.39 2jfb n LYS 93 Ca -0.21 0.81 0.00 0.00 -0.00 0.00 0.00 58.31 58.90 2jfb n LYS 93 Cb 0.52 -2.59 0.00 0.00 0.00 0.00 0.00 35.03 32.96 2jfb n LYS 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jfb n GLY 94 N 3.54 2.73 0.01 3.14 0.00 -1.26 -4.87 105.19 108.47 2jfb n GLY 94 Ca 0.17 -1.76 0.10 0.00 0.00 0.00 0.00 46.02 44.53 2jfb n GLY 94 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jfb n SER 95 N 0.00 0.50 -2.82 1.61 7.64 -1.26 -4.98 113.62 114.32 2jfb n SER 95 Ca 0.00 -0.45 -0.07 0.00 1.01 0.00 0.00 58.87 59.37 2jfb n SER 95 Cb 0.00 1.54 0.01 0.00 -1.01 0.00 0.00 64.21 64.75 2jfb n SER 95 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2jfb n THR 96 N -1.90 0.00 0.72 0.44 -2.24 -1.26 -5.02 114.28 105.02 2jfb n THR 96 Ca -0.00 -0.59 0.09 0.00 -2.27 0.00 0.00 64.05 61.28 2jfb n THR 96 Cb 0.45 -0.58 0.26 0.00 -2.10 0.00 0.00 70.33 68.36 2jfb n THR 96 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2jfb n MET 97 N -1.08 2.02 -0.18 -0.78 0.00 -1.26 -4.43 117.12 111.42 2jfb n MET 97 Ca 0.02 -1.57 -0.02 0.00 0.00 0.00 0.00 57.70 56.13 2jfb n MET 97 Cb 0.17 -1.39 0.05 0.00 0.00 0.00 0.00 33.22 32.06 2jfb n MET 97 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2jfb h HIS 98 N 2.80 -0.22 -0.35 2.03 -0.00 -1.98 -2.16 115.15 115.26 2jfb h HIS 98 Ca 0.00 0.05 0.08 0.00 -0.00 0.00 0.00 60.37 60.49 2jfb h HIS 98 Cb 0.63 0.18 -0.09 0.00 -0.00 0.00 0.00 27.41 28.14 2jfb h HIS 98 CO 0.24 -0.21 -0.30 0.35 -0.00 0.00 0.00 177.93 178.01 2jfb h PHE 99 N 0.03 -0.81 -0.86 5.26 3.57 -1.90 -2.02 116.94 120.21 2jfb h PHE 99 Ca 0.27 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.86 2jfb h PHE 99 Cb 0.41 0.41 -0.06 0.00 2.79 0.00 0.00 35.95 39.51 2jfb h PHE 99 CO -0.42 -0.36 0.54 0.93 -2.23 0.00 0.00 178.31 176.77 2jfb h GLU 100 N -0.25 1.00 0.00 1.11 3.07 -1.71 -0.96 114.58 116.84 2jfb h GLU 100 Ca 0.17 -0.06 -0.19 0.00 -0.50 0.00 0.00 59.36 58.77 2jfb h GLU 100 Cb 0.52 -0.23 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 2jfb h GLU 100 CO -0.50 0.66 -1.11 1.88 -1.40 0.00 0.00 179.01 178.55 2jfb h TYR 101 N 1.03 0.00 -0.10 4.33 0.05 -1.39 -2.14 116.97 118.75 2jfb h TYR 101 Ca 0.36 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 59.08 2jfb h TYR 101 Cb 0.08 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.82 2jfb h TYR 101 CO -0.03 0.79 -0.14 0.82 -1.05 0.00 0.00 178.16 178.56 2jfb h ILE 102 N 0.00 1.38 0.03 -2.88 1.08 -1.22 -2.68 117.51 113.21 2jfb h ILE 102 Ca -0.10 -1.35 0.03 0.00 -0.39 0.00 0.00 64.86 63.05 2jfb h ILE 102 Cb 1.69 2.03 -0.04 0.00 -3.07 0.00 0.00 36.82 37.43 2jfb h ILE 102 CO 0.09 0.39 -0.25 0.00 -0.69 0.00 0.00 178.15 177.68 2jfb h ASP 104 N -0.41 0.10 -0.12 0.00 3.58 -1.46 -0.93 116.42 117.18 2jfb h ASP 104 Ca 0.05 -0.08 -0.15 0.00 0.42 0.00 0.00 57.03 57.27 2jfb h ASP 104 Cb 0.47 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 2jfb h ASP 104 CO -0.20 0.15 -0.45 0.77 -2.88 0.00 0.00 179.24 176.64 2jfb h SER 105 N 0.04 0.72 -0.10 2.28 4.64 -1.49 -2.72 113.55 116.92 2jfb h SER 105 Ca 0.03 -0.34 -0.03 0.00 -0.47 0.00 0.00 61.79 60.97 2jfb h SER 105 Cb 0.08 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 2jfb h SER 105 CO -0.00 1.06 -0.06 0.74 -0.87 0.00 0.00 176.83 177.70 2jfb h THR 106 N 0.54 1.33 -0.10 2.95 2.02 -1.23 -2.63 112.91 115.78 2jfb h THR 106 Ca 0.03 -1.10 0.03 0.00 0.77 0.00 0.00 66.41 66.14 2jfb h THR 106 Cb 0.99 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 69.22 2jfb h THR 106 CO 0.09 0.31 -0.07 0.74 0.37 0.00 0.00 175.52 176.97 2jfb h THR 107 N -0.15 0.79 -0.86 3.16 2.02 -1.18 -0.49 112.91 116.19 2jfb h THR 107 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 2jfb h THR 107 Cb 0.52 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 2jfb h THR 107 CO 0.02 0.00 0.55 0.45 0.37 0.00 0.00 175.52 176.91 2jfb h HIS 108 N -0.07 1.10 -0.23 3.16 3.86 -1.56 -1.90 115.15 119.51 2jfb h HIS 108 Ca 0.06 0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 59.10 2jfb h HIS 108 Cb 0.17 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.27 2jfb h HIS 108 CO -0.18 0.71 -0.61 0.37 0.86 0.00 0.00 177.93 179.08 2jfb h GLN 109 N 1.18 0.78 -0.26 2.45 5.75 -1.15 -1.49 115.11 122.37 2jfb h GLN 109 Ca 0.31 -0.53 -0.08 0.00 -0.15 0.00 0.00 58.65 58.20 2jfb h GLN 109 Cb -0.10 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 2jfb h GLN 109 CO -0.06 1.16 -0.20 -0.07 -2.65 0.00 0.00 178.83 177.01 2jfb h LEU 110 N 0.58 0.46 -0.10 -2.39 3.38 -0.98 0.81 115.31 117.07 2jfb h LEU 110 Ca -0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2jfb h LEU 110 Cb 1.21 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2jfb h LEU 110 CO 0.13 0.67 0.04 -0.03 0.09 0.00 0.00 178.44 179.33 2jfb h MET 111 N 0.42 0.14 -0.15 1.13 4.05 -1.22 -2.93 114.93 116.37 2jfb h MET 111 Ca 0.07 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.44 2jfb h MET 111 Cb 0.59 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 2jfb h MET 111 CO 0.04 0.27 -0.01 0.87 0.23 0.00 0.00 176.91 178.31 2jfb h LYS 112 N -0.01 0.21 -0.32 0.39 1.57 -0.96 -2.97 116.57 114.48 2jfb h LYS 112 Ca 0.03 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jfb h LYS 112 Cb 0.18 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2jfb h LYS 112 CO -0.00 0.24 0.19 -0.07 -0.57 0.00 0.00 179.45 179.23 2jfb h LEU 113 N 0.20 0.37 -0.73 2.94 4.07 -0.65 -2.40 115.31 119.10 2jfb h LEU 113 Ca 0.05 -0.02 0.16 0.00 0.08 0.00 0.00 57.88 58.16 2jfb h LEU 113 Cb 0.16 -0.09 -0.12 0.00 1.08 0.00 0.00 40.66 41.69 2jfb h LEU 113 CO 0.00 0.29 0.10 0.78 -1.08 0.00 0.00 178.44 178.53 2jfb h ASN 114 N 0.43 -0.15 0.57 -0.43 2.35 -1.51 -0.53 115.58 116.31 2jfb h ASN 114 Ca 0.11 0.17 -0.28 0.00 -0.55 0.00 0.00 56.30 55.75 2jfb h ASN 114 Cb -0.01 0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 2jfb h ASN 114 CO -0.02 -0.11 -1.35 -0.26 -1.65 0.00 0.00 177.43 174.04 2jfb h PHE 115 N 0.18 0.45 0.02 1.19 -1.00 -1.63 -2.52 116.94 113.63 2jfb h PHE 115 Ca 0.41 -0.33 -0.21 0.00 2.81 0.00 0.00 57.97 60.65 2jfb h PHE 115 Cb 0.72 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.24 2jfb h PHE 115 CO -0.33 1.30 -0.99 0.93 -1.61 0.00 0.00 178.31 177.61 2jfb h GLU 116 N 0.07 0.05 0.00 1.51 5.08 -1.19 -3.29 114.58 116.81 2jfb h GLU 116 Ca -0.17 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 57.97 2jfb h GLU 116 Cb 1.98 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 31.23 2jfb h GLU 116 CO 0.18 1.00 -1.40 1.28 -1.00 0.00 0.00 179.01 179.07 2jfb n LEU 117 N -3.43 0.81 -0.06 1.33 4.77 -0.23 -4.99 117.00 115.21 2jfb n LEU 117 Ca -0.01 0.35 -0.01 0.00 -0.03 0.00 0.00 56.01 56.31 2jfb n LEU 117 Cb 0.92 0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 42.07 2jfb n LEU 117 CO 0.48 0.10 -0.01 0.61 -1.33 0.00 0.00 177.39 177.24 2jfb n GLY 118 N 1.37 0.48 3.16 -0.72 0.00 -0.95 -5.04 105.19 103.50 2jfb n GLY 118 Ca -0.09 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 2jfb n GLY 118 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jfb s ILE 119 N -1.99 0.99 0.02 -0.61 -4.36 -1.22 -5.05 121.20 108.98 2jfb s ILE 119 Ca 0.00 -1.43 -0.34 0.00 -0.26 0.00 0.00 60.65 58.61 2jfb s ILE 119 Cb 0.00 -1.15 -0.13 0.00 1.25 0.00 0.00 42.46 42.43 2jfb s ILE 119 CO 0.00 -0.39 1.74 -2.65 0.24 0.00 0.00 174.94 173.88 2jfb n PRO 120 N 0.97 2.13 -3.76 0.37 -0.02 -1.26 -4.46 135.00 128.98 2jfb n PRO 120 Ca -0.19 0.78 -0.38 0.00 -2.02 0.00 0.00 63.50 61.69 2jfb n PRO 120 Cb 0.56 -2.58 -0.12 0.00 -0.02 0.00 0.00 33.50 31.33 2jfb n PRO 120 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jfb s VAL 121 N 2.60 3.72 -0.23 -1.45 1.01 -1.26 -1.40 120.40 123.39 2jfb s VAL 121 Ca 0.86 -1.22 -0.20 0.00 0.00 0.00 0.00 61.98 61.42 2jfb s VAL 121 Cb -0.70 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 2jfb s VAL 121 CO 0.46 -0.22 0.62 -0.63 0.00 0.00 0.00 175.10 175.32 2jfb s ILE 122 N 1.38 5.00 -0.72 2.22 -1.09 -0.59 -4.87 121.20 122.52 2jfb s ILE 122 Ca -0.01 1.14 -0.26 0.00 -2.23 0.00 0.00 60.65 59.29 2jfb s ILE 122 Cb -0.20 -3.93 -0.05 0.00 -1.58 0.00 0.00 42.46 36.70 2jfb s ILE 122 CO 0.02 0.06 2.02 0.12 -1.23 0.00 0.00 174.94 175.93 2jfb s PHE 123 N 2.27 1.58 -0.44 3.97 5.36 -1.26 -3.59 117.98 125.87 2jfb s PHE 123 Ca 0.27 0.96 0.04 0.00 -0.96 0.00 0.00 56.93 57.24 2jfb s PHE 123 Cb -0.16 -3.94 0.56 0.00 -0.34 0.00 0.00 43.02 39.14 2jfb s PHE 123 CO 0.09 -2.05 1.76 0.41 -1.46 0.00 0.00 175.22 173.97 2jfb n GLY 124 N 6.28 5.09 3.49 13.12 0.00 -0.73 -4.94 105.19 127.50 2jfb n GLY 124 Ca 0.32 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.44 2jfb n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jfb s VAL 125 N -3.74 4.63 -0.04 1.61 1.01 -1.25 -1.77 120.40 120.84 2jfb s VAL 125 Ca 0.55 -0.06 -0.27 0.00 0.00 0.00 0.00 61.98 62.19 2jfb s VAL 125 Cb 0.46 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 2jfb s VAL 125 CO 0.04 0.31 0.88 -0.76 0.00 0.00 0.00 175.10 175.57 2jfb s LEU 126 N 1.63 4.33 -0.66 3.92 1.43 0.06 -4.94 118.68 124.45 2jfb s LEU 126 Ca 0.06 1.45 0.02 0.00 -1.03 0.00 0.00 54.13 54.64 2jfb s LEU 126 Cb -0.15 -3.38 0.16 0.00 0.03 0.00 0.00 46.19 42.85 2jfb s LEU 126 CO 0.06 -0.24 0.46 0.42 0.23 0.00 0.00 176.35 177.28 2jfb s THR 127 N 1.11 3.21 0.13 5.49 -4.23 -1.26 -0.69 115.64 119.40 2jfb s THR 127 Ca 0.46 -3.64 0.06 0.00 -1.18 0.00 0.00 61.69 57.39 2jfb s THR 127 Cb -0.19 -3.11 -0.04 0.00 1.34 0.00 0.00 72.50 70.49 2jfb s THR 127 CO 0.23 -0.93 -0.00 0.00 -0.54 0.00 0.00 174.62 173.38 2jfb h LEU 129 N 3.13 0.01 -8.57 0.00 3.38 -1.94 -1.56 115.31 109.76 2jfb h LEU 129 Ca -0.48 -0.01 -0.39 0.00 0.09 0.00 0.00 57.88 57.10 2jfb h LEU 129 Cb 1.18 -0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.75 2jfb h LEU 129 CO 0.58 1.01 -0.75 0.42 0.09 0.00 0.00 178.44 179.79 2jfb s THR 130 N -2.65 1.24 0.33 0.22 -4.23 -1.26 -4.00 115.64 105.28 2jfb s THR 130 Ca -0.02 -1.72 0.04 0.00 -1.18 0.00 0.00 61.69 58.82 2jfb s THR 130 Cb 0.09 -1.51 0.16 0.00 1.34 0.00 0.00 72.50 72.58 2jfb s THR 130 CO 0.82 -0.46 1.87 -0.78 -0.54 0.00 0.00 174.62 175.53 2jfb h ASP 131 N 3.49 0.50 -0.71 3.99 1.82 -1.95 -2.68 116.42 120.89 2jfb h ASP 131 Ca -0.39 -0.09 0.03 0.00 -0.39 0.00 0.00 57.03 56.19 2jfb h ASP 131 Cb 1.19 -0.13 -0.05 0.00 0.68 0.00 0.00 39.33 41.03 2jfb h ASP 131 CO 0.52 0.57 0.44 -0.08 -1.61 0.00 0.00 179.24 179.08 2jfb h GLU 132 N 0.52 0.84 -0.87 0.28 4.57 -1.99 -2.12 114.58 115.80 2jfb h GLU 132 Ca 0.11 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 2jfb h GLU 132 Cb 0.33 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.69 2jfb h GLU 132 CO 0.01 0.55 0.49 1.96 -1.18 0.00 0.00 179.01 180.84 2jfb h GLN 133 N 0.86 1.21 -0.25 1.92 4.20 -1.90 -1.73 115.11 119.42 2jfb h GLN 133 Ca 0.29 -0.13 -0.16 0.00 0.06 0.00 0.00 58.65 58.70 2jfb h GLN 133 Cb 0.04 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 2jfb h GLN 133 CO -0.12 0.87 -0.50 0.00 -0.67 0.00 0.00 178.83 178.42 2jfb h ALA 134 N 1.27 0.65 -0.09 3.87 0.00 -1.36 -2.60 119.26 121.00 2jfb h ALA 134 Ca 0.31 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 2jfb h ALA 134 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jfb h ALA 134 CO -0.05 0.68 -0.64 0.93 0.00 0.00 0.00 179.25 180.16 2jfb h GLU 135 N 0.55 0.33 -0.51 0.00 5.08 -1.25 -2.74 114.58 116.03 2jfb h GLU 135 Ca 0.02 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 2jfb h GLU 135 Cb 1.06 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 2jfb h GLU 135 CO 0.10 0.86 0.05 0.00 -1.00 0.00 0.00 179.01 179.02 2jfb h ALA 136 N 1.07 1.12 -0.24 3.43 0.00 -1.26 -1.54 119.26 121.84 2jfb h ALA 136 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2jfb h ALA 136 Cb 1.18 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2jfb h ALA 136 CO 0.11 0.57 0.00 0.54 0.00 0.00 0.00 179.25 180.47 2jfb n ARG 137 N -4.23 1.71 -0.06 0.00 1.74 -0.99 -3.11 116.66 111.73 2jfb n ARG 137 Ca 0.03 -1.09 0.05 0.00 -0.77 0.00 0.00 57.85 56.07 2jfb n ARG 137 Cb 0.28 -1.33 0.08 0.00 -1.02 0.00 0.00 32.46 30.47 2jfb n ARG 137 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jfb n ALA 138 N 0.34 2.38 -1.31 7.54 0.00 -1.01 -1.64 120.51 126.81 2jfb n ALA 138 Ca 0.14 -0.77 -0.08 0.00 0.00 0.00 0.00 53.44 52.72 2jfb n ALA 138 Cb 0.29 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.33 2jfb n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jfb n GLY 139 N 0.56 0.90 0.04 0.00 0.00 -1.16 -4.46 105.19 101.07 2jfb n GLY 139 Ca 0.08 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.55 2jfb n GLY 139 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jfb n LEU 140 N -0.92 0.54 -4.57 0.99 4.77 -0.61 -4.77 117.00 112.44 2jfb n LEU 140 Ca -0.08 0.23 -0.39 0.00 -0.03 0.00 0.00 56.01 55.74 2jfb n LEU 140 Cb 0.29 -0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 2jfb n LEU 140 CO 0.12 -0.00 -0.07 -0.63 -1.33 0.00 0.00 177.39 175.47 2jfb s ILE 141 N -3.08 5.25 0.01 -0.08 1.01 -1.25 -5.00 121.20 118.05 2jfb s ILE 141 Ca 0.09 0.11 -0.01 0.00 0.00 0.00 0.00 60.65 60.84 2jfb s ILE 141 Cb 0.15 -3.67 -0.00 0.00 0.01 0.00 0.00 42.46 38.95 2jfb s ILE 141 CO 0.67 0.09 0.30 1.21 0.00 0.00 0.00 174.94 177.22 2jfb n GLU 142 N 5.19 -0.02 -2.88 2.79 2.13 -1.26 -2.48 120.64 124.11 2jfb n GLU 142 Ca -0.12 0.30 -0.25 0.00 0.66 0.00 0.00 57.16 57.75 2jfb n GLU 142 Cb 0.51 -0.45 -0.03 0.00 0.27 0.00 0.00 31.44 31.74 2jfb n GLU 142 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jfb n GLY 143 N -1.01 5.35 3.12 8.31 0.00 -1.26 -5.02 105.19 114.68 2jfb n GLY 143 Ca 0.00 -2.62 -0.12 0.00 0.00 0.00 0.00 46.02 43.28 2jfb n GLY 143 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jfb s LYS 144 N -3.36 0.25 2.81 1.61 2.20 -1.03 -5.13 119.74 117.09 2jfb s LYS 144 Ca 0.47 0.70 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 2jfb s LYS 144 Cb 0.31 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 2jfb s LYS 144 CO -0.14 -0.20 0.00 -1.33 -0.36 0.00 0.00 175.35 173.33 2jfb n MET 145 N 4.60 0.00 -3.76 4.03 2.81 -1.26 -4.71 117.12 118.82 2jfb n MET 145 Ca -0.19 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.61 2jfb n MET 145 Cb 0.52 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 33.00 2jfb n MET 145 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 2jfb s HIS 146 N 0.00 -0.10 -0.31 2.03 -3.43 -1.26 -4.97 115.29 107.26 2jfb s HIS 146 Ca 0.00 -0.25 -0.29 0.00 -0.80 0.00 0.00 55.06 53.72 2jfb s HIS 146 Cb 0.00 0.42 -0.01 0.00 -1.43 0.00 0.00 32.58 31.56 2jfb s HIS 146 CO 0.00 -0.96 1.47 1.21 -2.00 0.00 0.00 174.74 174.46 2jfb s ASN 147 N -2.89 6.42 0.56 7.38 3.84 -1.26 -3.70 114.94 125.29 2jfb s ASN 147 Ca 0.10 1.25 0.34 0.00 0.21 0.00 0.00 52.86 54.76 2jfb s ASN 147 Cb -0.02 -2.54 1.53 0.00 -0.55 0.00 0.00 41.25 39.68 2jfb s ASN 147 CO -0.01 -1.29 2.05 0.45 -2.79 0.00 0.00 177.10 175.52 2jfb h HIS 148 N 10.44 0.00 -0.95 0.43 3.86 -1.60 -2.80 115.15 124.52 2jfb h HIS 148 Ca -0.30 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.02 2jfb h HIS 148 Cb 1.12 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.52 2jfb h HIS 148 CO 0.92 0.04 0.61 0.78 0.86 0.00 0.00 177.93 181.13 2jfb h GLY 149 N 1.53 1.45 1.02 2.45 0.00 -1.80 -1.92 103.07 105.80 2jfb h GLY 149 Ca -0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 2jfb h GLY 149 CO 0.00 0.18 0.43 0.83 0.00 0.00 0.00 176.54 177.98 2jfb h GLU 150 N 0.93 1.11 -0.79 4.80 5.08 -1.54 -1.22 114.58 122.96 2jfb h GLU 150 Ca 0.45 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2jfb h GLU 150 Cb 0.46 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 2jfb h GLU 150 CO -0.22 0.83 0.47 -0.44 -1.00 0.00 0.00 179.01 178.65 2jfb h ASP 151 N 1.10 0.94 0.70 1.42 3.32 -1.50 -1.27 116.42 121.13 2jfb h ASP 151 Ca 0.28 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.15 2jfb h ASP 151 Cb 0.05 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 2jfb h ASP 151 CO -0.04 0.72 -0.60 -0.50 -1.72 0.00 0.00 179.24 177.10 2jfb h TRP 152 N 1.08 0.00 -0.02 4.55 6.55 -1.01 -1.09 115.95 126.03 2jfb h TRP 152 Ca 0.28 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 60.12 2jfb h TRP 152 Cb -0.04 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.25 2jfb h TRP 152 CO 0.00 0.60 0.00 0.78 -1.05 0.00 0.00 178.44 178.77 2jfb h GLY 153 N 1.99 0.03 1.05 1.49 0.00 -0.65 -2.20 103.07 104.78 2jfb h GLY 153 Ca -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 2jfb h GLY 153 CO 0.08 0.02 0.26 0.00 0.00 0.00 0.00 176.54 176.90 2jfb h ALA 154 N 0.72 0.98 -0.64 3.60 0.00 -1.18 -2.99 119.26 119.75 2jfb h ALA 154 Ca 0.01 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2jfb h ALA 154 Cb 0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2jfb h ALA 154 CO 0.00 0.64 0.08 0.00 0.00 0.00 0.00 179.25 179.97 2jfb h ALA 155 N 1.13 0.85 -0.81 0.00 0.00 -1.21 -2.14 119.26 117.09 2jfb h ALA 155 Ca 0.24 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2jfb h ALA 155 Cb 0.27 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2jfb h ALA 155 CO -0.01 0.63 0.54 0.00 0.00 0.00 0.00 179.25 180.41 2jfb h ALA 156 N 1.03 1.03 -0.34 0.00 0.00 -1.29 -1.18 119.26 118.51 2jfb h ALA 156 Ca 0.19 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2jfb h ALA 156 Cb 0.47 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2jfb h ALA 156 CO 0.02 0.43 -0.23 0.28 0.00 0.00 0.00 179.25 179.75 2jfb h VAL 157 N 1.09 1.29 0.17 0.00 2.07 -1.39 -2.99 116.25 116.49 2jfb h VAL 157 Ca 0.30 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 2jfb h VAL 157 Cb -0.12 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2jfb h VAL 157 CO -0.07 0.45 -0.08 -0.08 0.02 0.00 0.00 177.57 177.82 2jfb h GLU 158 N 0.54 -0.21 0.00 1.57 4.81 -1.14 -2.77 114.58 117.38 2jfb h GLU 158 Ca 0.07 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2jfb h GLU 158 Cb 0.79 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.22 2jfb h GLU 158 CO 0.06 0.02 0.00 0.52 -0.73 0.00 0.00 179.01 178.88 2jfb h MET 159 N -0.42 0.00 0.00 1.92 2.86 -1.30 0.55 114.93 118.54 2jfb h MET 159 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2jfb h MET 159 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2jfb h MET 159 CO 0.04 0.00 -1.04 0.00 1.06 0.00 0.00 176.91 176.97 2jfb n ALA 160 N -1.89 2.76 -0.01 6.32 0.00 -1.13 -4.58 120.51 121.98 2jfb n ALA 160 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 53.44 53.14 2jfb n ALA 160 Cb 0.19 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 2jfb n ALA 160 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jfb n THR 161 N -2.42 0.15 -0.30 0.00 -2.24 -0.87 -4.60 114.28 103.99 2jfb n THR 161 Ca 0.00 -0.08 0.08 0.00 -2.27 0.00 0.00 64.05 61.78 2jfb n THR 161 Cb 0.51 -0.88 0.30 0.00 -2.10 0.00 0.00 70.33 68.17 2jfb n THR 161 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2jfb h LYS 162 N 0.00 0.85 0.00 -0.78 3.64 -1.16 -3.17 116.57 115.96 2jfb h LYS 162 Ca -0.06 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 2jfb h LYS 162 Cb 1.12 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 2jfb h LYS 162 CO 0.00 0.56 -1.53 1.19 -2.27 0.00 0.00 179.45 177.41 2jfb n PHE 163 N -4.55 0.00 1.65 1.91 3.01 -1.26 -5.13 117.46 113.08 2jfb n PHE 163 Ca 0.16 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.75 2jfb n PHE 163 Cb 0.34 -0.29 0.78 0.00 -0.01 0.00 0.00 39.48 40.31 2jfb n PHE 163 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04