#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfb s TYR 13 N 0.00 1.90 -0.21 2.13 1.51 -1.26 -5.12 117.35 116.30 2jfb s TYR 13 Ca 0.00 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.63 2jfb s TYR 13 Cb 0.00 -1.23 -0.01 0.00 -0.11 0.00 0.00 41.96 40.61 2jfb s TYR 13 CO 0.00 -0.06 -0.05 0.34 -1.11 0.00 0.00 175.55 174.67 2jfb s ASP 14 N -0.42 4.26 -0.08 2.29 3.68 -1.26 -4.87 116.67 120.26 2jfb s ASP 14 Ca 0.06 -0.39 0.15 0.00 2.13 0.00 0.00 52.55 54.50 2jfb s ASP 14 Cb -0.09 -1.72 0.51 0.00 -1.45 0.00 0.00 42.92 40.17 2jfb s ASP 14 CO -0.00 -0.00 1.43 0.61 0.13 0.00 0.00 175.17 177.33 2jfb n GLY 15 N 4.69 3.08 0.26 2.66 0.00 0.32 -4.67 105.19 111.54 2jfb n GLY 15 Ca -0.18 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.23 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 2.72 0.00 -0.48 1.61 4.64 -1.70 -2.11 113.55 118.23 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 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2jfb h SER 16 CO 0.13 0.11 0.00 0.29 -0.87 0.00 0.00 176.83 176.49 2jfb n LYS 17 N -3.89 3.50 -4.13 4.77 5.02 -1.26 -4.58 118.16 117.59 2jfb n LYS 17 Ca -0.02 -2.76 -0.31 0.00 -2.02 0.00 0.00 58.31 53.20 2jfb n LYS 17 Cb 0.21 -1.81 -0.08 0.00 -0.02 0.00 0.00 35.03 33.33 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 -2.06 3.58 -0.22 -0.35 1.43 -0.79 -5.08 118.68 115.19 2jfb s LEU 18 Ca 0.44 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.44 2jfb s LEU 18 Cb 0.30 -2.25 0.02 0.00 0.03 0.00 0.00 46.19 44.29 2jfb s LEU 18 CO 0.18 0.19 -0.11 -0.60 0.23 0.00 0.00 176.35 176.25 2jfb s ARG 19 N -2.19 3.00 -0.14 1.70 3.52 -1.26 -4.66 118.95 118.93 2jfb s ARG 19 Ca 0.26 -0.85 -0.01 0.00 -0.13 0.00 0.00 55.73 54.99 2jfb s ARG 19 Cb -0.12 -2.85 -0.02 0.00 -1.56 0.00 0.00 34.95 30.41 2jfb s ARG 19 CO 0.18 -0.29 -0.10 0.42 -0.81 0.00 0.00 175.30 174.70 2jfb s ILE 20 N 1.34 3.35 -0.14 4.11 -1.09 -0.36 -0.35 121.20 128.07 2jfb s ILE 20 Ca 0.03 -0.55 -0.07 0.00 -2.23 0.00 0.00 60.65 57.82 2jfb s ILE 20 Cb -0.15 -2.43 -0.04 0.00 -1.58 0.00 0.00 42.46 38.26 2jfb s ILE 20 CO -0.07 0.52 0.13 -0.83 -1.23 0.00 0.00 174.94 173.45 2jfb s GLY 21 N 0.30 2.10 -0.22 6.18 0.00 -0.63 -1.82 107.32 113.24 2jfb s GLY 21 Ca -0.08 -0.67 0.01 0.00 0.00 0.00 0.00 44.72 43.99 2jfb s GLY 21 CO 0.05 -0.25 -0.14 -0.42 0.00 0.00 0.00 173.10 172.33 2jfb s ILE 22 N -0.64 2.27 -0.22 0.90 1.01 0.67 -0.22 121.20 124.96 2jfb s ILE 22 Ca 0.13 -1.19 -0.03 0.00 0.00 0.00 0.00 60.65 59.55 2jfb s ILE 22 Cb -0.12 -2.13 -0.00 0.00 0.01 0.00 0.00 42.46 40.22 2jfb s ILE 22 CO 0.02 0.28 -0.05 -0.22 0.00 0.00 0.00 174.94 174.97 2jfb s LEU 23 N 1.23 2.92 0.09 2.97 2.96 -0.89 -0.70 118.68 127.26 2jfb s LEU 23 Ca -0.01 -0.48 0.09 0.00 -0.22 0.00 0.00 54.13 53.51 2jfb s LEU 23 Cb -0.16 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 2jfb s LEU 23 CO -0.08 -0.04 -0.22 -1.38 -1.32 0.00 0.00 176.35 173.30 2jfb s HIS 24 N 1.45 1.91 0.77 5.38 -3.43 -0.54 0.38 115.29 121.21 2jfb s HIS 24 Ca 0.05 -0.40 -0.11 0.00 -0.80 0.00 0.00 55.06 53.80 2jfb s HIS 24 Cb -0.15 -1.07 0.05 0.00 -1.43 0.00 0.00 32.58 29.99 2jfb s HIS 24 CO -0.04 0.20 1.09 0.00 -2.00 0.00 0.00 174.74 173.99 2jfb s ALA 25 N -1.04 2.38 -1.28 -1.38 0.00 0.09 -1.35 121.76 119.17 2jfb s ALA 25 Ca 0.08 -0.16 0.14 0.00 0.00 0.00 0.00 51.96 52.01 2jfb s ALA 25 Cb -0.10 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 19.92 2jfb s ALA 25 CO 0.04 -1.59 0.78 0.54 0.00 0.00 0.00 175.76 175.53 2jfb n ARG 26 N -3.34 1.77 -2.70 0.00 1.74 -0.96 -4.87 116.66 108.29 2jfb n ARG 26 Ca 0.07 -0.78 -0.39 0.00 -0.77 0.00 0.00 57.85 55.98 2jfb n ARG 26 Cb 0.56 -1.20 -0.06 0.00 -1.02 0.00 0.00 32.46 30.74 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 -1.62 3.75 -1.15 -1.55 0.52 -1.24 -3.71 118.94 113.94 2jfb s TRP 27 Ca 0.12 1.81 -0.03 0.00 0.02 0.00 0.00 56.10 58.02 2jfb s TRP 27 Cb 0.11 -3.02 -0.03 0.00 -1.15 0.00 0.00 33.47 29.38 2jfb s TRP 27 CO 0.32 0.11 0.93 0.09 0.02 0.00 0.00 176.95 178.42 2jfb n ASN 28 N 0.97 -3.76 -0.27 2.95 3.02 -1.26 -4.58 115.26 112.33 2jfb n ASN 28 Ca 0.00 -0.69 -0.00 0.00 -0.03 0.00 0.00 54.58 53.85 2jfb n ASN 28 Cb 0.48 -4.96 0.12 0.00 -0.61 0.00 0.00 39.78 34.81 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 -1.60 0.79 -0.94 3.52 9.65 -1.92 -1.31 114.38 122.56 2jfb h ARG 29 Ca -0.60 -0.05 0.13 0.00 -1.10 0.00 0.00 59.98 58.36 2jfb h ARG 29 Cb 1.33 -0.18 -0.09 0.00 -1.39 0.00 0.00 29.97 29.65 2jfb h ARG 29 CO 0.48 0.52 0.56 -0.22 2.80 0.00 0.00 179.97 184.12 2jfb h LYS 30 N 0.82 0.83 0.12 0.20 3.64 -1.92 -0.32 116.57 119.92 2jfb h LYS 30 Ca 0.34 -0.05 -0.27 0.00 -1.27 0.00 0.00 60.65 59.40 2jfb h LYS 30 Cb 0.18 -0.19 0.03 0.00 -0.41 0.00 0.00 32.23 31.84 2jfb h LYS 30 CO -0.18 0.55 -1.11 0.82 -2.27 0.00 0.00 179.45 177.26 2jfb h ILE 31 N 0.85 1.34 -0.05 2.00 2.04 -1.74 -3.23 117.51 118.73 2jfb h ILE 31 Ca 0.49 -2.44 0.04 0.00 1.00 0.00 0.00 64.86 63.95 2jfb h ILE 31 Cb 0.56 2.79 -0.04 0.00 -0.74 0.00 0.00 36.82 39.39 2jfb h ILE 31 CO -0.30 0.73 -0.21 0.40 0.00 0.00 0.00 178.15 178.77 2jfb h ILE 32 N 0.11 0.50 -0.30 -0.67 1.08 -0.71 -2.21 117.51 115.32 2jfb h ILE 32 Ca -0.17 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 2jfb h ILE 32 Cb 1.81 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 36.05 2jfb h ILE 32 CO 0.21 0.00 0.16 0.44 -0.69 0.00 0.00 178.15 178.27 2jfb h ASP 33 N -0.30 0.35 -0.40 1.72 3.32 -1.19 -0.18 116.42 119.73 2jfb h ASP 33 Ca 0.08 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.98 2jfb h ASP 33 Cb 0.41 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2jfb h ASP 33 CO -0.23 0.29 -0.24 0.00 -1.72 0.00 0.00 179.24 177.35 2jfb h ALA 34 N 1.77 0.74 -0.32 3.45 0.00 -1.50 -1.50 119.26 121.90 2jfb h ALA 34 Ca 0.11 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 2jfb h ALA 34 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2jfb h ALA 34 CO -0.02 0.66 -0.29 -0.07 0.00 0.00 0.00 179.25 179.54 2jfb h LEU 35 N 0.79 0.81 -0.22 0.00 3.38 -0.68 -2.26 115.31 117.14 2jfb h LEU 35 Ca 0.10 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 2jfb h LEU 35 Cb 0.80 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2jfb h LEU 35 CO 0.07 1.10 0.09 0.58 0.09 0.00 0.00 178.44 180.36 2jfb h VAL 36 N 0.53 1.16 -0.63 1.22 2.07 -1.06 -1.58 116.25 117.96 2jfb h VAL 36 Ca 0.06 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.11 2jfb h VAL 36 Cb 0.86 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 2jfb h VAL 36 CO 0.07 0.16 0.42 0.00 0.02 0.00 0.00 177.57 178.24 2jfb h ALA 37 N 0.93 1.63 -0.58 1.67 0.00 -1.28 0.82 119.26 122.45 2jfb h ALA 37 Ca 0.07 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2jfb h ALA 37 Cb 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2jfb h ALA 37 CO -0.01 0.31 -0.02 0.78 0.00 0.00 0.00 179.25 180.32 2jfb h GLY 38 N 0.77 1.11 0.63 0.00 0.00 -1.10 -0.87 103.07 103.62 2jfb h GLY 38 Ca 0.25 -0.83 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 2jfb h GLY 38 CO -0.06 0.76 -0.03 0.00 0.00 0.00 0.00 176.54 177.21 2jfb h ALA 39 N 0.97 -0.07 -0.91 3.60 0.00 -0.48 -2.68 119.26 119.68 2jfb h ALA 39 Ca 0.16 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 55.04 2jfb h ALA 39 Cb 0.57 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 2jfb h ALA 39 CO 0.03 -0.36 0.52 0.28 0.00 0.00 0.00 179.25 179.72 2jfb h VAL 40 N -0.44 0.77 0.37 0.00 2.07 -0.86 -0.66 116.25 117.49 2jfb h VAL 40 Ca -0.01 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2jfb h VAL 40 Cb 0.39 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2jfb h VAL 40 CO 0.01 0.13 -0.18 0.50 0.02 0.00 0.00 177.57 178.05 2jfb h LYS 41 N 0.74 -0.48 -0.58 1.57 3.64 -1.09 -2.02 116.57 118.35 2jfb h LYS 41 Ca 0.49 0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.81 2jfb h LYS 41 Cb 0.66 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 2jfb h LYS 41 CO -0.34 -0.32 -0.02 -0.09 -2.27 0.00 0.00 179.45 176.41 2jfb h ARG 42 N -0.50 1.02 -0.38 1.90 9.65 -1.12 -1.71 114.38 123.24 2jfb h ARG 42 Ca -0.05 -0.32 0.07 0.00 -1.10 0.00 0.00 59.98 58.58 2jfb h ARG 42 Cb 0.39 -0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 28.81 2jfb h ARG 42 CO 0.08 1.01 -0.02 -0.07 2.80 0.00 0.00 179.97 183.76 2jfb h LEU 43 N 0.93 -0.20 -0.79 3.80 4.07 -1.07 -0.72 115.31 121.33 2jfb h LEU 43 Ca 0.16 0.09 -0.10 0.00 0.08 0.00 0.00 57.88 58.12 2jfb h LEU 43 Cb 0.56 0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.46 2jfb h LEU 43 CO 0.03 -0.06 -0.48 1.56 -1.08 0.00 0.00 178.44 178.41 2jfb h GLN 44 N 0.08 0.00 -0.16 1.13 4.20 -1.17 -1.67 115.11 117.52 2jfb h GLN 44 Ca 0.19 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.80 2jfb h GLN 44 Cb 0.27 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2jfb h GLN 44 CO -0.33 0.48 -0.34 0.93 -0.67 0.00 0.00 178.83 178.90 2jfb h GLU 45 N 0.00 0.32 -0.00 1.46 5.08 -0.85 -2.64 114.58 117.95 2jfb h GLU 45 Ca -0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2jfb h GLU 45 Cb 1.02 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2jfb h GLU 45 CO 0.06 0.62 -0.00 1.19 -1.00 0.00 0.00 179.01 179.88 2jfb n PHE 46 N -4.08 0.00 -0.03 4.33 3.01 -0.32 -4.90 117.46 115.47 2jfb n PHE 46 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2jfb n PHE 46 Cb 0.44 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 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 1.07 0.55 3.69 1.37 0.00 -1.00 -0.52 105.19 110.35 2jfb n GLY 47 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.06 3.06 0.59 1.61 1.01 -0.67 -3.56 120.40 120.39 2jfb s VAL 48 Ca 0.00 0.54 -0.18 0.00 0.00 0.00 0.00 61.98 62.34 2jfb s VAL 48 Cb 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 2jfb s VAL 48 CO 0.00 0.00 1.19 -0.54 0.00 0.00 0.00 175.10 175.75 2jfb s LYS 49 N 2.43 2.99 0.19 2.72 1.02 -1.26 -4.27 119.74 123.56 2jfb s LYS 49 Ca 0.72 1.76 -0.11 0.00 0.02 0.00 0.00 55.97 58.36 2jfb s LYS 49 Cb -0.39 -1.94 0.20 0.00 -0.52 0.00 0.00 37.83 35.18 2jfb s LYS 49 CO 0.32 -1.18 1.77 1.49 -0.92 0.00 0.00 175.35 176.83 2jfb h GLU 50 N 0.83 0.47 0.00 1.68 4.81 -1.95 -1.38 114.58 119.04 2jfb h GLU 50 Ca -0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2jfb h GLU 50 Cb 1.29 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2jfb h GLU 50 CO 0.55 0.31 0.00 1.05 -0.73 0.00 0.00 179.01 180.19 2jfb h GLU 51 N 0.49 0.00 -0.43 1.92 4.11 -2.01 -2.87 114.58 115.78 2jfb h GLU 51 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.70 2jfb h GLU 51 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2jfb h GLU 51 CO -0.22 0.00 0.00 0.09 0.07 0.00 0.00 179.01 178.95 2jfb n ASN 52 N -2.57 4.85 -4.08 3.06 3.02 -0.53 -4.74 115.26 114.27 2jfb n ASN 52 Ca 0.00 -2.94 -0.33 0.00 -0.03 0.00 0.00 54.58 51.28 2jfb n ASN 52 Cb 0.19 -0.61 -0.14 0.00 -0.61 0.00 0.00 39.78 38.61 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 -2.74 2.64 -0.31 2.41 1.01 -1.09 -1.23 121.20 121.89 2jfb s ILE 53 Ca 0.49 -2.03 -0.12 0.00 0.00 0.00 0.00 60.65 58.98 2jfb s ILE 53 Cb 0.38 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 2jfb s ILE 53 CO 0.13 -0.47 0.21 -0.63 0.00 0.00 0.00 174.94 174.18 2jfb s ILE 54 N 1.04 5.26 -0.18 2.92 -1.09 -0.76 -4.98 121.20 123.41 2jfb s ILE 54 Ca 0.05 -0.06 -0.06 0.00 -2.23 0.00 0.00 60.65 58.36 2jfb s ILE 54 Cb -0.20 -3.61 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 2jfb s ILE 54 CO -0.06 0.11 0.02 -0.63 -1.23 0.00 0.00 174.94 173.15 2jfb s ILE 55 N 1.73 4.32 0.05 2.92 1.01 -1.26 -0.24 121.20 129.73 2jfb s ILE 55 Ca 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 60.65 60.51 2jfb s ILE 55 Cb -0.17 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 2jfb s ILE 55 CO 0.10 0.46 -0.03 -0.70 0.00 0.00 0.00 174.94 174.77 2jfb s GLU 56 N 0.54 0.58 0.07 2.79 2.56 0.13 -4.98 118.70 120.38 2jfb s GLU 56 Ca 0.00 -1.15 0.07 0.00 0.00 0.00 0.00 54.97 53.89 2jfb s GLU 56 Cb -0.14 0.20 -0.03 0.00 2.00 0.00 0.00 34.13 36.17 2jfb s GLU 56 CO 0.02 -0.10 -0.18 0.95 -0.56 0.00 0.00 175.26 175.38 2jfb s THR 57 N -3.64 1.46 0.24 -1.70 -4.23 -1.26 -1.46 115.64 105.04 2jfb s THR 57 Ca 0.04 -1.30 0.11 0.00 -1.18 0.00 0.00 61.69 59.36 2jfb s THR 57 Cb 0.06 -1.32 -0.05 0.00 1.34 0.00 0.00 72.50 72.53 2jfb s THR 57 CO -0.09 -0.02 -0.19 0.68 -0.54 0.00 0.00 174.62 174.46 2jfb s VAL 58 N -1.03 2.22 0.10 2.29 -7.23 -0.46 -4.92 120.40 111.37 2jfb s VAL 58 Ca 0.04 -2.26 -0.22 0.00 -1.81 0.00 0.00 61.98 57.73 2jfb s VAL 58 Cb -0.09 -2.17 -0.11 0.00 0.56 0.00 0.00 36.38 34.57 2jfb s VAL 58 CO 0.03 -0.40 1.73 1.55 -0.31 0.00 0.00 175.10 177.70 2jfb h PRO 59 N 2.57 0.00 -4.68 4.82 0.13 -1.95 -2.73 132.00 130.15 2jfb h PRO 59 Ca -0.41 -0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.37 2jfb h PRO 59 Cb 1.24 -0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.24 2jfb h PRO 59 CO 0.58 0.00 -0.50 0.20 -0.23 0.00 0.00 178.00 178.05 2jfb s GLY 60 N -2.34 1.88 0.50 1.56 0.00 -1.26 -2.28 107.32 105.38 2jfb s GLY 60 Ca -0.13 -1.85 0.19 0.00 0.00 0.00 0.00 44.72 42.93 2jfb s GLY 60 CO 0.67 -1.38 2.08 1.76 0.00 0.00 0.00 173.10 176.23 2jfb h SER 61 N 2.31 0.00 0.31 1.64 0.02 -1.94 -2.21 113.55 113.69 2jfb h SER 61 Ca -0.29 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.61 2jfb h SER 61 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 2jfb h SER 61 CO 0.43 0.10 -0.22 0.15 -1.14 0.00 0.00 176.83 176.15 2jfb h PHE 62 N 0.00 0.00 -0.01 3.45 3.57 -1.97 -2.56 116.94 119.42 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 0.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2jfb h PHE 62 CO 0.00 0.22 -0.01 0.39 -2.23 0.00 0.00 178.31 176.68 2jfb n GLU 63 N -4.04 1.50 -0.04 1.11 4.71 -0.83 -4.28 120.64 118.78 2jfb n GLU 63 Ca -0.02 -0.76 -0.11 0.00 -0.01 0.00 0.00 57.16 56.25 2jfb n GLU 63 Cb 0.29 -1.48 -0.05 0.00 -1.01 0.00 0.00 31.44 29.19 2jfb n GLU 63 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 2jfb h LEU 64 N 1.87 0.21 0.37 -4.62 3.38 -1.51 0.84 115.31 115.85 2jfb h LEU 64 Ca 0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2jfb h LEU 64 Cb 0.41 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2jfb h LEU 64 CO 0.00 0.34 -0.18 -0.65 0.09 0.00 0.00 178.44 178.04 2jfb h PRO 65 N 0.07 -0.48 -0.05 1.13 0.11 -1.79 0.29 132.00 131.28 2jfb h PRO 65 Ca 0.05 0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.05 2jfb h PRO 65 Cb 0.20 0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 2jfb h PRO 65 CO -0.00 -0.27 -0.62 -0.92 -0.21 0.00 0.00 178.00 175.98 2jfb h TYR 66 N -0.59 0.24 -0.73 0.65 3.20 -1.83 -2.59 116.97 115.31 2jfb h TYR 66 Ca -0.05 -0.10 0.03 0.00 3.14 0.00 0.00 58.73 61.75 2jfb h TYR 66 Cb 0.44 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 2jfb h TYR 66 CO -0.03 0.76 0.47 0.78 -1.64 0.00 0.00 178.16 178.50 2jfb h GLY 67 N 1.57 1.05 1.01 1.82 0.00 -0.81 -1.56 103.07 106.15 2jfb h GLY 67 Ca -0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 2jfb h GLY 67 CO 0.09 0.31 0.50 1.76 0.00 0.00 0.00 176.54 179.20 2jfb h SER 68 N 0.92 0.96 -0.23 0.19 0.02 -0.64 0.17 113.55 114.94 2jfb h SER 68 Ca 0.29 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 2jfb h SER 68 Cb -0.01 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 2jfb h SER 68 CO -0.10 0.74 0.10 0.50 -1.14 0.00 0.00 176.83 176.93 2jfb h LYS 69 N 1.11 0.34 -0.43 3.45 3.64 -1.10 0.04 116.57 123.61 2jfb h LYS 69 Ca 0.29 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.53 2jfb h LYS 69 Cb -0.06 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2jfb h LYS 69 CO -0.06 0.36 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.33 2jfb h LEU 70 N 0.23 0.74 -0.36 5.20 3.38 -1.04 -0.02 115.31 123.44 2jfb h LEU 70 Ca 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2jfb h LEU 70 Cb 0.14 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2jfb h LEU 70 CO -0.01 0.87 0.14 0.15 0.09 0.00 0.00 178.44 179.67 2jfb h PHE 71 N 0.69 0.56 -0.40 1.13 3.57 -0.54 -0.84 116.94 121.11 2jfb h PHE 71 Ca 0.12 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 2jfb h PHE 71 Cb 0.56 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2jfb h PHE 71 CO 0.03 0.52 0.10 0.28 -2.23 0.00 0.00 178.31 177.01 2jfb h VAL 72 N 0.44 1.23 -0.53 1.41 2.07 -0.68 -2.22 116.25 117.97 2jfb h VAL 72 Ca 0.12 -0.77 -0.09 0.00 0.82 0.00 0.00 66.70 66.78 2jfb h VAL 72 Cb 0.20 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2jfb h VAL 72 CO -0.01 0.27 -0.03 -0.33 0.02 0.00 0.00 177.57 177.49 2jfb h GLU 73 N 0.50 0.91 -0.27 1.57 4.39 -0.95 -2.01 114.58 118.72 2jfb h GLU 73 Ca 0.13 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 2jfb h GLU 73 Cb 0.30 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2jfb h GLU 73 CO 0.00 0.93 0.10 -0.22 -1.16 0.00 0.00 179.01 178.66 2jfb h LYS 74 N 0.84 0.41 -0.60 2.33 3.64 -1.08 -2.29 116.57 119.82 2jfb h LYS 74 Ca 0.15 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2jfb h LYS 74 Cb 0.54 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 2jfb h LYS 74 CO 0.03 0.46 0.32 1.96 -2.27 0.00 0.00 179.45 179.94 2jfb h GLN 75 N 0.29 0.84 -0.39 1.90 1.08 -1.28 -0.84 115.11 116.70 2jfb h GLN 75 Ca 0.09 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2jfb h GLN 75 Cb 0.20 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 2jfb h GLN 75 CO -0.01 0.63 0.16 0.87 -0.95 0.00 0.00 178.83 179.54 2jfb h LYS 76 N 0.84 0.58 0.00 1.46 1.57 -1.23 -0.92 116.57 118.88 2jfb h LYS 76 Ca 0.21 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2jfb h LYS 76 Cb 0.05 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2jfb h LYS 76 CO -0.03 0.54 -0.25 0.00 -0.57 0.00 0.00 179.45 179.13 2jfb h ARG 77 N 0.49 0.00 0.00 3.15 3.08 -1.00 -2.17 114.38 117.93 2jfb h ARG 77 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2jfb h ARG 77 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2jfb h ARG 77 CO -0.01 0.25 0.00 -0.07 -1.07 0.00 0.00 179.97 179.07 2jfb h LEU 78 N 0.00 0.00 0.00 3.04 4.07 -0.98 -3.47 115.31 117.98 2jfb h LEU 78 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2jfb h LEU 78 Cb 0.59 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.33 2jfb h LEU 78 CO 0.03 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.00 2jfb n GLY 79 N 0.54 0.48 2.42 0.83 0.00 -0.82 -4.99 105.19 103.66 2jfb n GLY 79 Ca 0.03 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.91 1.89 -2.00 1.61 4.76 -0.37 -5.03 118.16 116.11 2jfb n LYS 80 Ca 0.00 -4.23 -0.33 0.00 -2.87 0.00 0.00 58.31 50.88 2jfb n LYS 80 Cb 0.00 -1.98 0.02 0.00 -1.84 0.00 0.00 35.03 31.23 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 -1.92 3.16 0.05 1.97 0.04 -1.20 -4.40 135.00 132.69 2jfb s PRO 81 Ca 0.37 1.35 -0.18 0.00 0.04 0.00 0.00 61.00 62.58 2jfb s PRO 81 Cb 0.13 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 2jfb s PRO 81 CO -0.06 -0.96 0.52 -0.51 0.04 0.00 0.00 177.00 176.03 2jfb s LEU 82 N -4.46 4.51 0.06 -3.56 1.43 -1.26 -4.71 118.68 110.69 2jfb s LEU 82 Ca 0.67 1.17 0.15 0.00 -1.03 0.00 0.00 54.13 55.08 2jfb s LEU 82 Cb -0.19 -2.80 -0.14 0.00 0.03 0.00 0.00 46.19 43.09 2jfb s LEU 82 CO 0.36 0.29 0.88 0.44 0.23 0.00 0.00 176.35 178.54 2jfb h ASP 83 N 4.63 0.00 -5.02 2.29 3.32 -1.09 -3.48 116.42 117.07 2jfb h ASP 83 Ca -0.50 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 2jfb h ASP 83 Cb 1.22 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.65 2jfb h ASP 83 CO 0.63 0.70 0.16 0.00 -1.72 0.00 0.00 179.24 179.00 2jfb s ALA 84 N -2.84 -1.43 -0.00 3.45 0.00 -1.23 -4.15 121.76 115.57 2jfb s ALA 84 Ca -0.02 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.26 2jfb s ALA 84 Cb 0.08 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 24.05 2jfb s ALA 84 CO 0.81 -0.77 -0.06 -1.50 0.00 0.00 0.00 175.76 174.23 2jfb s ILE 85 N -3.78 0.48 -0.49 0.00 2.07 -0.64 -1.60 121.20 117.24 2jfb s ILE 85 Ca 0.03 -0.29 0.03 0.00 -1.41 0.00 0.00 60.65 59.00 2jfb s ILE 85 Cb -0.01 -0.41 0.13 0.00 0.13 0.00 0.00 42.46 42.29 2jfb s ILE 85 CO -0.11 0.11 0.24 -0.63 -1.91 0.00 0.00 174.94 172.65 2jfb s ILE 86 N -0.19 2.72 -0.08 2.00 1.01 0.70 -1.32 121.20 126.04 2jfb s ILE 86 Ca 0.02 -3.02 -0.30 0.00 0.00 0.00 0.00 60.65 57.35 2jfb s ILE 86 Cb -0.03 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 2jfb s ILE 86 CO -0.00 -0.77 1.38 -2.16 0.00 0.00 0.00 174.94 173.40 2jfb s PRO 87 N 0.04 4.25 -0.16 2.79 0.04 -1.23 -2.10 135.00 138.62 2jfb s PRO 87 Ca 0.15 1.87 -0.00 0.00 0.04 0.00 0.00 61.00 63.06 2jfb s PRO 87 Cb -0.24 -3.73 -0.00 0.00 0.04 0.00 0.00 34.50 30.57 2jfb s PRO 87 CO -0.02 -0.67 -0.14 0.42 0.04 0.00 0.00 177.00 176.63 2jfb s ILE 88 N 3.14 2.72 0.04 0.56 1.01 0.16 -1.89 121.20 126.94 2jfb s ILE 88 Ca 0.62 -0.75 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 2jfb s ILE 88 Cb -0.27 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 2jfb s ILE 88 CO 0.22 0.51 0.02 -0.83 0.00 0.00 0.00 174.94 174.86 2jfb s GLY 89 N 0.86 0.32 -0.18 6.18 0.00 -0.53 -0.73 107.32 113.24 2jfb s GLY 89 Ca -0.04 -0.88 -0.01 0.00 0.00 0.00 0.00 44.72 43.80 2jfb s GLY 89 CO -0.01 -0.99 -0.04 0.14 0.00 0.00 0.00 173.10 172.20 2jfb s VAL 90 N -3.09 1.13 -0.19 1.40 1.01 -1.26 -0.53 120.40 118.86 2jfb s VAL 90 Ca -0.01 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 2jfb s VAL 90 Cb 0.02 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 2jfb s VAL 90 CO -0.07 0.05 -0.07 -0.76 0.00 0.00 0.00 175.10 174.24 2jfb s LEU 91 N 1.61 2.83 -0.12 3.92 1.43 0.41 -4.79 118.68 123.98 2jfb s LEU 91 Ca -0.01 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2jfb s LEU 91 Cb -0.16 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 2jfb s LEU 91 CO -0.07 0.04 -0.10 -0.63 0.23 0.00 0.00 176.35 175.82 2jfb s ILE 92 N 1.13 3.39 -0.12 -0.59 -1.09 -1.26 -0.70 121.20 121.97 2jfb s ILE 92 Ca 0.01 -0.55 -0.32 0.00 -2.23 0.00 0.00 60.65 57.56 2jfb s ILE 92 Cb -0.14 -2.43 -0.10 0.00 -1.58 0.00 0.00 42.46 38.21 2jfb s ILE 92 CO -0.02 0.53 2.02 1.17 -1.23 0.00 0.00 174.94 177.42 2jfb n LYS 93 N 3.20 2.15 0.00 2.79 3.00 0.00 -4.85 118.16 124.44 2jfb n LYS 93 Ca -0.18 0.73 0.00 0.00 -0.00 0.00 0.00 58.31 58.86 2jfb n LYS 93 Cb 0.53 -2.84 0.00 0.00 0.00 0.00 0.00 35.03 32.72 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 5.02 1.27 0.10 3.14 0.00 -1.26 -4.87 105.19 108.60 2jfb n GLY 94 Ca 0.26 -1.78 -0.15 0.00 0.00 0.00 0.00 46.02 44.35 2jfb n GLY 94 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jfb h SER 95 N 0.00 0.32 -2.49 1.61 0.02 -2.02 -3.48 113.55 107.51 2jfb h SER 95 Ca 0.00 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 2jfb h SER 95 Cb 0.00 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2jfb h SER 95 CO 0.00 1.33 0.00 0.35 -1.14 0.00 0.00 176.83 177.37 2jfb n THR 96 N -3.43 0.00 0.53 -2.27 -2.24 -1.26 -5.00 114.28 100.61 2jfb n THR 96 Ca -0.12 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.76 2jfb n THR 96 Cb 1.03 -1.40 0.26 0.00 -2.10 0.00 0.00 70.33 68.12 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 -0.65 2.19 -0.19 -0.78 0.00 -1.26 -4.46 117.12 111.97 2jfb n MET 97 Ca 0.00 -1.82 -0.00 0.00 0.00 0.00 0.00 57.70 55.88 2jfb n MET 97 Cb 0.00 -1.44 0.09 0.00 0.00 0.00 0.00 33.22 31.88 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 3.26 0.10 -0.30 2.03 -0.00 -1.97 -2.38 115.15 115.89 2jfb h HIS 98 Ca 0.00 0.04 0.07 0.00 -0.00 0.00 0.00 60.37 60.47 2jfb h HIS 98 Cb 0.73 0.05 -0.07 0.00 -0.00 0.00 0.00 27.41 28.12 2jfb h HIS 98 CO 0.27 -0.08 -0.14 0.35 -0.00 0.00 0.00 177.93 178.33 2jfb h PHE 99 N 0.19 -0.34 0.07 5.26 3.57 -1.89 -2.08 116.94 121.72 2jfb h PHE 99 Ca 0.30 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.83 2jfb h PHE 99 Cb 0.45 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 2jfb h PHE 99 CO -0.29 -0.21 -0.07 0.93 -2.23 0.00 0.00 178.31 176.44 2jfb h GLU 100 N -0.10 -0.15 0.00 1.11 3.07 -1.75 -1.11 114.58 115.65 2jfb h GLU 100 Ca 0.16 0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.89 2jfb h GLU 100 Cb 0.33 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 2jfb h GLU 100 CO -0.37 -0.10 -0.66 1.88 -1.40 0.00 0.00 179.01 178.36 2jfb h TYR 101 N -0.16 0.00 -0.10 4.33 0.05 -1.48 -1.45 116.97 118.16 2jfb h TYR 101 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 2jfb h TYR 101 Cb 0.15 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.89 2jfb h TYR 101 CO -0.10 0.66 -0.08 0.82 -1.05 0.00 0.00 178.16 178.41 2jfb h ILE 102 N 0.00 1.35 -0.41 -2.88 1.08 -1.34 -2.85 117.51 112.46 2jfb h ILE 102 Ca -0.01 -1.19 0.05 0.00 -0.39 0.00 0.00 64.86 63.32 2jfb h ILE 102 Cb 1.37 1.92 -0.05 0.00 -3.07 0.00 0.00 36.82 37.00 2jfb h ILE 102 CO 0.09 0.34 0.15 0.00 -0.69 0.00 0.00 178.15 178.03 2jfb h ASP 104 N 0.31 -0.56 -0.42 0.00 3.58 -1.32 -1.69 116.42 116.33 2jfb h ASP 104 Ca 0.19 -0.01 -0.14 0.00 0.42 0.00 0.00 57.03 57.49 2jfb h ASP 104 Cb 0.17 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 2jfb h ASP 104 CO -0.19 -0.35 -0.26 0.77 -2.88 0.00 0.00 179.24 176.33 2jfb h SER 105 N -0.72 0.98 0.45 2.28 4.64 -1.51 -2.45 113.55 117.21 2jfb h SER 105 Ca -0.07 -0.39 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 2jfb h SER 105 Cb 0.54 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2jfb h SER 105 CO 0.11 1.18 -0.22 0.74 -0.87 0.00 0.00 176.83 177.77 2jfb h THR 106 N 0.80 0.55 -0.31 2.95 2.02 -1.30 -1.80 112.91 115.82 2jfb h THR 106 Ca 0.10 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.34 2jfb h THR 106 Cb 0.84 0.55 -0.07 0.00 -1.74 0.00 0.00 68.15 67.73 2jfb h THR 106 CO 0.07 0.00 -0.12 0.74 0.37 0.00 0.00 175.52 176.59 2jfb h THR 107 N -0.61 0.60 -0.61 3.16 2.02 -1.29 -0.69 112.91 115.50 2jfb h THR 107 Ca -0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 2jfb h THR 107 Cb 0.47 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 2jfb h THR 107 CO 0.10 0.00 0.32 0.45 0.37 0.00 0.00 175.52 176.76 2jfb h HIS 108 N -0.06 0.84 -0.15 3.16 3.86 -1.41 -2.00 115.15 119.39 2jfb h HIS 108 Ca 0.16 -0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.18 2jfb h HIS 108 Cb 0.29 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 2jfb h HIS 108 CO -0.33 0.61 -0.61 1.96 0.86 0.00 0.00 177.93 180.43 2jfb h GLN 109 N 0.82 0.50 -0.29 2.45 1.08 -0.99 -2.04 115.11 116.64 2jfb h GLN 109 Ca 0.21 -0.34 -0.06 0.00 -1.45 0.00 0.00 58.65 57.01 2jfb h GLN 109 Cb 0.06 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 2jfb h GLN 109 CO -0.03 0.95 -0.10 -0.07 -0.95 0.00 0.00 178.83 178.63 2jfb h LEU 110 N 0.37 0.46 0.07 1.46 3.38 -1.07 -0.58 115.31 119.41 2jfb h LEU 110 Ca -0.01 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2jfb h LEU 110 Cb 1.15 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2jfb h LEU 110 CO 0.11 0.60 -0.03 -0.03 0.09 0.00 0.00 178.44 179.17 2jfb h MET 111 N 0.45 -0.09 -0.00 1.13 4.05 -1.17 -3.08 114.93 116.21 2jfb h MET 111 Ca 0.09 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.48 2jfb h MET 111 Cb 0.45 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 2jfb h MET 111 CO 0.02 0.14 -0.17 0.87 0.23 0.00 0.00 176.91 178.01 2jfb h LYS 112 N -0.32 0.01 -0.23 0.39 1.57 -1.24 -3.00 116.57 113.73 2jfb h LYS 112 Ca -0.01 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2jfb h LYS 112 Cb 0.28 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2jfb h LYS 112 CO 0.02 0.18 0.16 1.25 -0.57 0.00 0.00 179.45 180.49 2jfb h LEU 113 N 0.01 0.10 -0.53 2.94 5.85 -1.01 -0.61 115.31 122.06 2jfb h LEU 113 Ca -0.00 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.82 2jfb h LEU 113 Cb 0.31 -0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.21 2jfb h LEU 113 CO 0.02 0.07 -0.24 0.78 -0.34 0.00 0.00 178.44 178.74 2jfb h ASN 114 N 0.12 -0.82 0.30 1.25 2.35 -1.59 0.10 115.58 117.29 2jfb h ASN 114 Ca 0.10 0.19 -0.28 0.00 -0.55 0.00 0.00 56.30 55.77 2jfb h ASN 114 Cb 0.27 0.44 0.02 0.00 0.05 0.00 0.00 38.32 39.10 2jfb h ASN 114 CO -0.01 -0.26 -1.17 -0.26 -1.65 0.00 0.00 177.43 174.08 2jfb h PHE 115 N -0.11 0.79 -0.06 1.19 -1.00 -1.33 -1.91 116.94 114.50 2jfb h PHE 115 Ca 0.24 -0.50 -0.02 0.00 2.81 0.00 0.00 57.97 60.51 2jfb h PHE 115 Cb 0.49 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 39.98 2jfb h PHE 115 CO -0.53 1.35 -0.02 0.93 -1.61 0.00 0.00 178.31 178.43 2jfb h GLU 116 N 0.22 0.13 0.00 1.51 5.08 -1.33 -3.26 114.58 116.93 2jfb h GLU 116 Ca -0.15 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 2jfb h GLU 116 Cb 1.85 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.08 2jfb h GLU 116 CO 0.21 0.49 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.39 2jfb h LEU 117 N -0.23 0.00 0.10 1.33 3.38 -1.08 -3.47 115.31 115.33 2jfb h LEU 117 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2jfb h LEU 117 Cb 0.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2jfb h LEU 117 CO 0.01 0.25 -0.04 0.61 0.09 0.00 0.00 178.44 179.36 2jfb n GLY 118 N 0.85 0.52 3.19 0.83 0.00 -0.72 -5.02 105.19 104.83 2jfb n GLY 118 Ca 0.02 -0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.87 1.16 0.16 -0.61 -4.36 -1.20 -5.04 121.20 109.44 2jfb s ILE 119 Ca 0.00 -1.44 -0.33 0.00 -0.26 0.00 0.00 60.65 58.62 2jfb s ILE 119 Cb 0.00 -1.21 -0.13 0.00 1.25 0.00 0.00 42.46 42.36 2jfb s ILE 119 CO 0.00 -0.30 1.62 -2.65 0.24 0.00 0.00 174.94 173.85 2jfb n PRO 120 N 1.03 2.28 -3.94 0.37 -0.02 -1.26 -4.39 135.00 129.07 2jfb n PRO 120 Ca -0.19 0.82 -0.34 0.00 -2.02 0.00 0.00 63.50 61.77 2jfb n PRO 120 Cb 0.55 -2.61 -0.14 0.00 -0.02 0.00 0.00 33.50 31.28 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 1.06 2.78 -0.13 -1.45 1.01 -1.26 -1.62 120.40 120.79 2jfb s VAL 121 Ca 0.78 -1.60 -0.25 0.00 0.00 0.00 0.00 61.98 60.92 2jfb s VAL 121 Cb -0.64 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 2jfb s VAL 121 CO 0.37 -0.20 0.79 -0.63 0.00 0.00 0.00 175.10 175.44 2jfb s ILE 122 N 1.18 4.93 -0.67 2.22 -1.09 -0.44 -4.88 121.20 122.45 2jfb s ILE 122 Ca -0.03 1.57 -0.27 0.00 -2.23 0.00 0.00 60.65 59.70 2jfb s ILE 122 Cb -0.20 -4.11 -0.00 0.00 -1.58 0.00 0.00 42.46 36.57 2jfb s ILE 122 CO -0.03 0.10 1.62 0.12 -1.23 0.00 0.00 174.94 175.53 2jfb s PHE 123 N 1.71 1.92 -0.40 3.97 5.36 -1.26 -3.56 117.98 125.72 2jfb s PHE 123 Ca 0.38 0.43 0.05 0.00 -0.96 0.00 0.00 56.93 56.83 2jfb s PHE 123 Cb -0.17 -4.31 0.49 0.00 -0.34 0.00 0.00 43.02 38.69 2jfb s PHE 123 CO 0.15 -2.20 1.56 0.41 -1.46 0.00 0.00 175.22 173.68 2jfb n GLY 124 N 5.61 5.55 3.55 13.12 0.00 -0.79 -4.97 105.19 127.26 2jfb n GLY 124 Ca 0.14 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 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 -4.03 4.64 -0.09 1.61 1.01 -1.26 -1.46 120.40 120.82 2jfb s VAL 125 Ca 0.52 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 62.25 2jfb s VAL 125 Cb 0.44 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 2jfb s VAL 125 CO 0.02 0.39 0.47 -0.76 0.00 0.00 0.00 175.10 175.22 2jfb s LEU 126 N 0.99 4.32 -0.53 3.92 1.43 0.31 -4.93 118.68 124.19 2jfb s LEU 126 Ca 0.04 0.86 0.04 0.00 -1.03 0.00 0.00 54.13 54.04 2jfb s LEU 126 Cb -0.14 -2.69 0.13 0.00 0.03 0.00 0.00 46.19 43.52 2jfb s LEU 126 CO 0.03 0.06 0.27 0.42 0.23 0.00 0.00 176.35 177.36 2jfb s THR 127 N 0.28 2.61 0.19 5.49 -4.23 -1.26 -0.44 115.64 118.27 2jfb s THR 127 Ca 0.26 -3.36 0.09 0.00 -1.18 0.00 0.00 61.69 57.49 2jfb s THR 127 Cb -0.16 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.83 2jfb s THR 127 CO 0.11 -0.81 -0.07 0.00 -0.54 0.00 0.00 174.62 173.31 2jfb h LEU 129 N 2.80 0.08 -8.69 0.00 3.38 -1.93 0.04 115.31 110.99 2jfb h LEU 129 Ca -0.47 -0.12 -0.33 0.00 0.09 0.00 0.00 57.88 57.06 2jfb h LEU 129 Cb 1.21 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.79 2jfb h LEU 129 CO 0.55 1.11 -0.69 0.42 0.09 0.00 0.00 178.44 179.92 2jfb s THR 130 N -2.63 1.05 0.33 0.22 -4.23 -1.26 -4.05 115.64 105.07 2jfb s THR 130 Ca -0.04 -2.04 0.04 0.00 -1.18 0.00 0.00 61.69 58.46 2jfb s THR 130 Cb 0.08 -1.97 0.15 0.00 1.34 0.00 0.00 72.50 72.10 2jfb s THR 130 CO 0.83 -0.63 1.86 0.44 -0.54 0.00 0.00 174.62 176.57 2jfb h ASP 131 N 2.72 0.53 -0.34 3.99 3.32 -1.96 -3.04 116.42 121.63 2jfb h ASP 131 Ca -0.37 -0.10 0.07 0.00 0.02 0.00 0.00 57.03 56.66 2jfb h ASP 131 Cb 1.20 -0.14 -0.08 0.00 0.22 0.00 0.00 39.33 40.53 2jfb h ASP 131 CO 0.64 0.59 -0.17 -0.08 -1.72 0.00 0.00 179.24 178.49 2jfb h GLU 132 N 0.54 -0.12 -0.24 3.56 4.57 -1.99 -1.35 114.58 119.55 2jfb h GLU 132 Ca 0.12 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.24 2jfb h GLU 132 Cb 0.34 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 2jfb h GLU 132 CO 0.01 -0.08 -0.14 1.96 -1.18 0.00 0.00 179.01 179.58 2jfb h GLN 133 N -0.12 0.40 -0.12 1.92 4.20 -1.96 -0.81 115.11 118.62 2jfb h GLN 133 Ca 0.17 -0.11 -0.16 0.00 0.06 0.00 0.00 58.65 58.61 2jfb h GLN 133 Cb 0.39 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.13 2jfb h GLN 133 CO -0.42 0.55 -0.53 0.00 -0.67 0.00 0.00 178.83 177.76 2jfb h ALA 134 N 1.48 0.22 -0.85 3.87 0.00 -1.49 -2.54 119.26 119.96 2jfb h ALA 134 Ca 0.07 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2jfb h ALA 134 Cb 0.48 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2jfb h ALA 134 CO 0.03 0.43 0.45 0.93 0.00 0.00 0.00 179.25 181.09 2jfb h GLU 135 N 0.20 1.18 -0.51 0.00 5.08 -1.05 -2.70 114.58 116.79 2jfb h GLU 135 Ca -0.03 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 2jfb h GLU 135 Cb 1.17 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 2jfb h GLU 135 CO 0.11 0.87 0.17 0.00 -1.00 0.00 0.00 179.01 179.16 2jfb h ALA 136 N 1.31 0.66 -0.02 3.43 0.00 -1.15 -1.28 119.26 122.21 2jfb h ALA 136 Ca 0.30 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2jfb h ALA 136 Cb 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2jfb h ALA 136 CO -0.05 0.31 0.00 0.54 0.00 0.00 0.00 179.25 180.05 2jfb n ARG 137 N -4.51 1.09 -0.02 0.00 1.74 -0.96 -2.70 116.66 111.30 2jfb n ARG 137 Ca 0.02 -0.13 0.04 0.00 -0.77 0.00 0.00 57.85 57.01 2jfb n ARG 137 Cb 0.18 -1.27 0.05 0.00 -1.02 0.00 0.00 32.46 30.40 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 -0.63 2.44 -1.04 7.54 0.00 -1.01 -1.15 120.51 126.66 2jfb n ALA 138 Ca 0.13 -0.63 -0.01 0.00 0.00 0.00 0.00 53.44 52.92 2jfb n ALA 138 Cb 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 19.45 19.24 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 0.46 0.52 0.07 0.00 0.00 -1.10 -4.53 105.19 100.61 2jfb n GLY 139 Ca 0.05 -0.57 0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.17 0.62 -4.37 0.99 4.77 -0.51 -4.64 117.00 113.68 2jfb n LEU 140 Ca -0.01 0.43 -0.36 0.00 -0.03 0.00 0.00 56.01 56.03 2jfb n LEU 140 Cb 0.07 -0.31 -0.13 0.00 -2.33 0.00 0.00 43.42 40.72 2jfb n LEU 140 CO 0.02 -0.09 -0.31 -0.63 -1.33 0.00 0.00 177.39 175.05 2jfb s ILE 141 N -3.09 3.91 0.10 -0.08 1.01 -1.25 -4.98 121.20 116.82 2jfb s ILE 141 Ca 0.10 -0.46 -0.31 0.00 0.00 0.00 0.00 60.65 59.98 2jfb s ILE 141 Cb 0.14 -2.89 -0.07 0.00 0.01 0.00 0.00 42.46 39.65 2jfb s ILE 141 CO 0.62 0.27 1.34 -1.61 0.00 0.00 0.00 174.94 175.56 2jfb s GLU 142 N 1.53 4.35 0.00 2.79 2.02 -1.26 -2.68 118.70 125.45 2jfb s GLU 142 Ca 0.05 2.00 0.00 0.00 0.02 0.00 0.00 54.97 57.04 2jfb s GLU 142 Cb -0.16 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.80 2jfb s GLU 142 CO 0.01 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.31 2jfb n GLY 143 N 3.40 0.45 2.75 -1.39 0.00 -1.26 -5.04 105.19 104.09 2jfb n GLY 143 Ca 0.11 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.89 2jfb n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jfb s LYS 144 N -2.09 0.65 2.38 1.61 -0.14 -1.09 -5.11 119.74 115.94 2jfb s LYS 144 Ca 0.00 -0.25 0.00 0.00 -1.36 0.00 0.00 55.97 54.36 2jfb s LYS 144 Cb 0.00 -1.76 0.00 0.00 -1.68 0.00 0.00 37.83 34.39 2jfb s LYS 144 CO 0.00 -0.53 0.00 -1.33 -0.76 0.00 0.00 175.35 172.73 2jfb n MET 145 N 5.08 0.00 -3.98 1.68 2.81 -1.26 -4.78 117.12 116.67 2jfb n MET 145 Ca -0.08 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.72 2jfb n MET 145 Cb 0.48 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.95 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 0.32 -0.49 2.03 -3.43 -1.26 -4.99 115.29 107.47 2jfb s HIS 146 Ca 0.00 -0.70 -0.28 0.00 -0.80 0.00 0.00 55.06 53.27 2jfb s HIS 146 Cb 0.00 0.26 0.02 0.00 -1.43 0.00 0.00 32.58 31.43 2jfb s HIS 146 CO 0.00 -1.05 1.34 1.21 -2.00 0.00 0.00 174.74 174.24 2jfb s ASN 147 N -3.02 6.33 0.60 7.38 3.84 -1.26 -3.83 114.94 124.98 2jfb s ASN 147 Ca 0.21 0.49 0.33 0.00 0.21 0.00 0.00 52.86 54.11 2jfb s ASN 147 Cb -0.01 -2.55 1.90 0.00 -0.55 0.00 0.00 41.25 40.04 2jfb s ASN 147 CO 0.09 -1.50 2.25 0.45 -2.79 0.00 0.00 177.10 175.61 2jfb h HIS 148 N 10.43 0.00 -0.77 0.43 3.86 -1.45 -2.24 115.15 125.41 2jfb h HIS 148 Ca -0.26 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.05 2jfb h HIS 148 Cb 1.09 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.50 2jfb h HIS 148 CO 1.00 0.02 0.51 0.78 0.86 0.00 0.00 177.93 181.10 2jfb h GLY 149 N 0.18 0.97 0.95 2.45 0.00 -1.78 -2.04 103.07 103.80 2jfb h GLY 149 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 2jfb h GLY 149 CO 0.00 0.15 0.18 0.83 0.00 0.00 0.00 176.54 177.70 2jfb h GLU 150 N 0.66 0.59 -0.96 4.80 5.08 -1.46 -2.37 114.58 120.93 2jfb h GLU 150 Ca 0.36 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.67 2jfb h GLU 150 Cb 0.50 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 2jfb h GLU 150 CO -0.13 0.53 0.63 -0.44 -1.00 0.00 0.00 179.01 178.60 2jfb h ASP 151 N 0.50 1.03 -0.64 1.42 3.32 -1.52 -2.39 116.42 118.14 2jfb h ASP 151 Ca 0.13 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 2jfb h ASP 151 Cb 0.15 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 2jfb h ASP 151 CO -0.01 0.69 0.08 -0.50 -1.72 0.00 0.00 179.24 177.77 2jfb h TRP 152 N 1.18 1.16 -0.36 4.55 6.55 -1.15 -0.83 115.95 127.05 2jfb h TRP 152 Ca 0.39 -0.17 -0.01 0.00 0.95 0.00 0.00 58.89 60.05 2jfb h TRP 152 Cb 0.07 -0.32 -0.02 0.00 -0.86 0.00 0.00 29.16 28.04 2jfb h TRP 152 CO -0.00 0.98 0.17 0.78 -1.05 0.00 0.00 178.44 179.32 2jfb h GLY 153 N 1.04 0.55 1.00 1.49 0.00 -1.09 -1.36 103.07 104.69 2jfb h GLY 153 Ca 0.19 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 2jfb h GLY 153 CO 0.02 0.26 0.28 0.00 0.00 0.00 0.00 176.54 177.09 2jfb h ALA 154 N 1.02 0.82 -0.79 3.60 0.00 -1.25 -2.51 119.26 120.16 2jfb h ALA 154 Ca 0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jfb h ALA 154 Cb 0.12 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2jfb h ALA 154 CO -0.02 0.41 0.48 0.00 0.00 0.00 0.00 179.25 180.12 2jfb h ALA 155 N 1.12 1.00 -0.67 0.00 0.00 -1.03 -1.19 119.26 118.49 2jfb h ALA 155 Ca 0.21 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2jfb h ALA 155 Cb 0.17 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2jfb h ALA 155 CO -0.02 0.46 0.44 0.00 0.00 0.00 0.00 179.25 180.14 2jfb h ALA 156 N 1.26 0.85 -0.07 0.00 0.00 -0.93 0.15 119.26 120.51 2jfb h ALA 156 Ca 0.28 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2jfb h ALA 156 Cb -0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2jfb h ALA 156 CO -0.05 0.27 -0.03 0.28 0.00 0.00 0.00 179.25 179.72 2jfb h VAL 157 N 0.91 1.32 0.05 0.00 2.07 -1.26 -2.94 116.25 116.40 2jfb h VAL 157 Ca 0.25 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.74 2jfb h VAL 157 Cb -0.10 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2jfb h VAL 157 CO -0.06 0.29 -0.10 -0.08 0.02 0.00 0.00 177.57 177.65 2jfb h GLU 158 N -0.22 -0.18 0.00 1.57 4.81 -1.01 -2.80 114.58 116.74 2jfb h GLU 158 Ca 0.02 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 2jfb h GLU 158 Cb 0.47 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 2jfb h GLU 158 CO 0.01 -0.12 -0.16 0.52 -0.73 0.00 0.00 179.01 178.53 2jfb h MET 159 N -0.19 0.00 0.00 1.92 2.86 -0.79 0.56 114.93 119.29 2jfb h MET 159 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2jfb h MET 159 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2jfb h MET 159 CO -0.06 0.16 -0.32 0.00 1.06 0.00 0.00 176.91 177.75 2jfb n ALA 160 N -2.39 2.84 0.00 6.32 0.00 -1.11 -4.49 120.51 121.68 2jfb n ALA 160 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2jfb n ALA 160 Cb 0.25 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.81 0.00 -0.22 0.00 -2.24 -0.95 -4.82 114.28 104.23 2jfb n THR 161 Ca 0.05 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.86 2jfb n THR 161 Cb 0.38 -0.64 0.14 0.00 -2.10 0.00 0.00 70.33 68.12 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 0.29 -0.96 -0.78 3.64 -1.13 -1.86 116.57 115.78 2jfb h LYS 162 Ca 0.00 -0.02 -0.45 0.00 -1.27 0.00 0.00 60.65 58.91 2jfb h LYS 162 Cb 0.71 -0.07 -0.27 0.00 -0.41 0.00 0.00 32.23 32.20 2jfb h LYS 162 CO 0.00 0.19 0.57 1.19 -2.27 0.00 0.00 179.45 179.13 2jfb n PHE 163 N -5.11 2.88 -0.97 1.91 3.01 -1.26 -5.14 117.46 112.78 2jfb n PHE 163 Ca 0.11 -1.69 0.00 0.00 1.01 0.00 0.00 57.45 56.89 2jfb n PHE 163 Cb 0.38 -0.88 0.00 0.00 -0.01 0.00 0.00 39.48 38.96 2jfb n PHE 163 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86