#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 6.65 -0.16 7.72 3.68 -1.26 -4.84 116.67 128.46 2jfb s ASP 14 Ca 0.00 0.72 0.17 0.00 2.13 0.00 0.00 52.55 55.58 2jfb s ASP 14 Cb 0.00 -2.55 0.45 0.00 -1.45 0.00 0.00 42.92 39.37 2jfb s ASP 14 CO 0.00 -1.19 1.33 0.61 0.13 0.00 0.00 175.17 176.05 2jfb n GLY 15 N 4.63 4.29 0.25 2.66 0.00 -0.73 -4.72 105.19 111.57 2jfb n GLY 15 Ca 0.13 -1.06 0.12 0.00 0.00 0.00 0.00 46.02 45.21 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 1.22 0.00 -0.63 1.61 4.64 -1.71 -2.42 113.55 116.26 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 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2jfb h SER 16 CO 0.15 0.15 0.00 0.29 -0.87 0.00 0.00 176.83 176.55 2jfb n LYS 17 N -3.43 3.20 -4.20 4.77 5.02 -1.26 -4.54 118.16 117.72 2jfb n LYS 17 Ca -0.01 -2.58 -0.33 0.00 -2.02 0.00 0.00 58.31 53.38 2jfb n LYS 17 Cb 0.33 -1.74 -0.08 0.00 -0.02 0.00 0.00 35.03 33.52 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 -1.48 3.67 -0.21 -0.35 1.43 -0.91 -5.09 118.68 115.73 2jfb s LEU 18 Ca 0.47 0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 53.58 2jfb s LEU 18 Cb 0.28 -2.13 -0.00 0.00 0.03 0.00 0.00 46.19 44.37 2jfb s LEU 18 CO 0.26 0.27 -0.07 -0.60 0.23 0.00 0.00 176.35 176.44 2jfb s ARG 19 N -1.67 3.32 -0.10 1.70 3.52 -1.26 -4.57 118.95 119.88 2jfb s ARG 19 Ca 0.21 -0.65 0.04 0.00 -0.13 0.00 0.00 55.73 55.19 2jfb s ARG 19 Cb -0.12 -2.94 0.00 0.00 -1.56 0.00 0.00 34.95 30.34 2jfb s ARG 19 CO 0.12 -0.19 -0.23 0.42 -0.81 0.00 0.00 175.30 174.61 2jfb s ILE 20 N 1.43 2.02 -0.01 4.11 1.01 -0.30 -0.00 121.20 129.46 2jfb s ILE 20 Ca 0.05 -0.99 -0.09 0.00 0.00 0.00 0.00 60.65 59.62 2jfb s ILE 20 Cb -0.14 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 2jfb s ILE 20 CO -0.05 0.55 0.30 -0.83 0.00 0.00 0.00 174.94 174.92 2jfb s GLY 21 N 0.42 2.31 -0.17 6.18 0.00 -0.54 -2.15 107.32 113.37 2jfb s GLY 21 Ca -0.17 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.10 2jfb s GLY 21 CO 0.07 -0.21 -0.20 -0.42 0.00 0.00 0.00 173.10 172.35 2jfb s ILE 22 N -1.21 2.12 -0.23 0.90 1.01 0.28 -0.94 121.20 123.13 2jfb s ILE 22 Ca 0.25 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.99 2jfb s ILE 22 Cb -0.14 -1.88 0.04 0.00 0.01 0.00 0.00 42.46 40.49 2jfb s ILE 22 CO 0.13 0.54 -0.14 -0.22 0.00 0.00 0.00 174.94 175.25 2jfb s LEU 23 N 1.19 2.97 0.11 2.97 2.96 -0.82 -0.96 118.68 127.10 2jfb s LEU 23 Ca 0.02 -1.10 0.10 0.00 -0.22 0.00 0.00 54.13 52.93 2jfb s LEU 23 Cb -0.14 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 2jfb s LEU 23 CO -0.10 -0.12 -0.25 -1.38 -1.32 0.00 0.00 176.35 173.18 2jfb s HIS 24 N 1.18 2.18 0.80 5.38 -3.43 -0.82 0.21 115.29 120.80 2jfb s HIS 24 Ca -0.03 -0.39 -0.11 0.00 -0.80 0.00 0.00 55.06 53.72 2jfb s HIS 24 Cb -0.17 -1.20 0.07 0.00 -1.43 0.00 0.00 32.58 29.85 2jfb s HIS 24 CO -0.08 0.28 1.10 0.00 -2.00 0.00 0.00 174.74 174.04 2jfb s ALA 25 N -1.05 2.20 -0.62 -1.38 0.00 -0.18 -1.89 121.76 118.85 2jfb s ALA 25 Ca 0.12 -0.19 0.18 0.00 0.00 0.00 0.00 51.96 52.07 2jfb s ALA 25 Cb -0.10 -3.11 -0.22 0.00 0.00 0.00 0.00 23.12 19.69 2jfb s ALA 25 CO 0.05 -1.77 0.66 0.54 0.00 0.00 0.00 175.76 175.24 2jfb n ARG 26 N -3.46 0.99 -2.22 0.00 1.74 -0.91 -4.85 116.66 107.96 2jfb n ARG 26 Ca 0.07 -0.04 -0.41 0.00 -0.77 0.00 0.00 57.85 56.69 2jfb n ARG 26 Cb 0.56 -1.36 -0.03 0.00 -1.02 0.00 0.00 32.46 30.61 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 -2.83 3.25 -1.03 -1.55 0.51 -1.23 -3.38 118.94 112.69 2jfb s TRP 27 Ca 0.03 1.22 -0.03 0.00 -2.12 0.00 0.00 56.10 55.21 2jfb s TRP 27 Cb 0.13 -3.60 -0.03 0.00 -0.81 0.00 0.00 33.47 29.16 2jfb s TRP 27 CO 0.74 -1.88 0.88 0.09 -0.51 0.00 0.00 176.95 176.26 2jfb n ASN 28 N 2.61 -4.06 -0.03 2.95 3.02 -1.26 -4.58 115.26 113.91 2jfb n ASN 28 Ca 0.06 -0.60 0.07 0.00 -0.03 0.00 0.00 54.58 54.07 2jfb n ASN 28 Cb 0.43 -4.76 0.45 0.00 -0.61 0.00 0.00 39.78 35.29 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 -1.37 0.48 -0.44 3.52 9.65 -1.90 -1.21 114.38 123.11 2jfb h ARG 29 Ca -0.55 -0.03 0.05 0.00 -1.10 0.00 0.00 59.98 58.35 2jfb h ARG 29 Cb 1.30 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.72 2jfb h ARG 29 CO 0.43 0.32 0.18 -0.22 2.80 0.00 0.00 179.97 183.48 2jfb h LYS 30 N 0.50 0.36 0.20 0.20 3.64 -1.91 -1.34 116.57 118.21 2jfb h LYS 30 Ca 0.19 -0.02 -0.32 0.00 -1.27 0.00 0.00 60.65 59.24 2jfb h LYS 30 Cb 0.16 -0.08 0.03 0.00 -0.41 0.00 0.00 32.23 31.93 2jfb h LYS 30 CO -0.05 0.24 -1.38 0.82 -2.27 0.00 0.00 179.45 176.81 2jfb h ILE 31 N 0.37 1.31 -0.26 2.00 2.04 -1.75 -3.26 117.51 117.96 2jfb h ILE 31 Ca 0.20 -2.68 0.04 0.00 1.00 0.00 0.00 64.86 63.42 2jfb h ILE 31 Cb 0.16 2.92 -0.04 0.00 -0.74 0.00 0.00 36.82 39.13 2jfb h ILE 31 CO -0.18 0.80 0.03 0.40 0.00 0.00 0.00 178.15 179.21 2jfb h ILE 32 N 0.18 0.86 -0.80 -0.67 1.08 -1.16 -2.64 117.51 114.35 2jfb h ILE 32 Ca -0.22 -0.04 0.01 0.00 -0.39 0.00 0.00 64.86 64.22 2jfb h ILE 32 Cb 2.07 0.72 -0.04 0.00 -3.07 0.00 0.00 36.82 36.49 2jfb h ILE 32 CO 0.26 0.02 0.53 0.44 -0.69 0.00 0.00 178.15 178.71 2jfb h ASP 33 N 0.13 0.91 -0.35 1.72 3.32 -1.35 -1.13 116.42 119.67 2jfb h ASP 33 Ca 0.12 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 2jfb h ASP 33 Cb 0.14 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2jfb h ASP 33 CO -0.18 0.66 -0.10 0.00 -1.72 0.00 0.00 179.24 177.91 2jfb h ALA 34 N 1.51 1.01 -0.09 3.45 0.00 -1.54 -0.73 119.26 122.87 2jfb h ALA 34 Ca 0.29 -0.31 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 2jfb h ALA 34 Cb -0.12 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.51 2jfb h ALA 34 CO -0.06 0.60 -0.73 -0.07 0.00 0.00 0.00 179.25 178.98 2jfb h LEU 35 N 0.70 0.81 -0.52 0.00 3.38 -1.11 -2.56 115.31 116.01 2jfb h LEU 35 Ca 0.12 -0.67 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 2jfb h LEU 35 Cb 0.57 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2jfb h LEU 35 CO 0.04 1.35 0.29 0.58 0.09 0.00 0.00 178.44 180.79 2jfb h VAL 36 N 0.33 1.17 -0.40 1.22 2.07 -1.14 -1.50 116.25 117.99 2jfb h VAL 36 Ca -0.06 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 2jfb h VAL 36 Cb 1.38 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 2jfb h VAL 36 CO 0.15 0.18 0.16 0.00 0.02 0.00 0.00 177.57 178.08 2jfb h ALA 37 N 1.13 1.52 -0.26 1.67 0.00 -1.16 -0.95 119.26 121.21 2jfb h ALA 37 Ca 0.18 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 2jfb h ALA 37 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2jfb h ALA 37 CO -0.03 0.37 -0.41 0.78 0.00 0.00 0.00 179.25 179.95 2jfb h GLY 38 N 0.73 0.69 0.86 0.00 0.00 -1.01 -1.71 103.07 102.62 2jfb h GLY 38 Ca 0.14 -0.70 -0.11 0.00 0.00 0.00 0.00 47.33 46.66 2jfb h GLY 38 CO -0.01 0.63 -0.32 0.00 0.00 0.00 0.00 176.54 176.83 2jfb h ALA 39 N 1.03 0.27 -0.88 3.60 0.00 -0.83 -2.60 119.26 119.86 2jfb h ALA 39 Ca 0.04 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2jfb h ALA 39 Cb 0.94 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 2jfb h ALA 39 CO 0.08 0.31 0.49 0.28 0.00 0.00 0.00 179.25 180.42 2jfb h VAL 40 N 0.17 1.25 -0.21 0.00 2.07 -1.19 -0.27 116.25 118.08 2jfb h VAL 40 Ca 0.01 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 2jfb h VAL 40 Cb 0.91 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2jfb h VAL 40 CO 0.07 0.28 0.11 0.50 0.02 0.00 0.00 177.57 178.56 2jfb h LYS 41 N 1.23 0.29 -0.42 1.57 3.64 -1.30 -1.13 116.57 120.44 2jfb h LYS 41 Ca 0.31 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.52 2jfb h LYS 41 Cb 0.02 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2jfb h LYS 41 CO -0.05 0.28 -0.24 -0.09 -2.27 0.00 0.00 179.45 177.08 2jfb h ARG 42 N 0.22 0.91 -0.26 1.90 9.65 -1.28 -2.22 114.38 123.30 2jfb h ARG 42 Ca 0.07 -0.42 0.06 0.00 -1.10 0.00 0.00 59.98 58.59 2jfb h ARG 42 Cb 0.08 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.59 2jfb h ARG 42 CO -0.01 1.07 -0.08 -0.07 2.80 0.00 0.00 179.97 183.68 2jfb h LEU 43 N 0.74 -0.30 -1.71 3.80 4.07 -0.97 -1.96 115.31 118.98 2jfb h LEU 43 Ca 0.09 0.09 -0.03 0.00 0.08 0.00 0.00 57.88 58.11 2jfb h LEU 43 Cb 0.82 0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.74 2jfb h LEU 43 CO 0.07 -0.11 -0.12 1.56 -1.08 0.00 0.00 178.44 178.76 2jfb h GLN 44 N -0.03 0.04 0.00 1.13 4.20 -1.10 -2.24 115.11 117.11 2jfb h GLN 44 Ca 0.13 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 2jfb h GLN 44 Cb 0.23 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2jfb h GLN 44 CO -0.29 0.15 -0.26 0.93 -0.67 0.00 0.00 178.83 178.70 2jfb h GLU 45 N 0.03 0.00 -0.10 1.46 5.08 -0.76 -3.05 114.58 117.25 2jfb h GLU 45 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2jfb h GLU 45 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2jfb h GLU 45 CO 0.02 0.26 0.00 1.19 -1.00 0.00 0.00 179.01 179.48 2jfb n PHE 46 N -3.26 0.11 0.00 4.33 3.01 -0.80 -4.94 117.46 115.91 2jfb n PHE 46 Ca 0.01 -0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.42 2jfb n PHE 46 Cb 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 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 1.21 1.11 3.68 1.37 0.00 -1.14 -1.77 105.19 109.65 2jfb n GLY 47 Ca 0.17 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.73 2jfb n GLY 47 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jfb n VAL 48 N -1.50 0.50 -1.99 1.61 0.31 -0.90 -4.06 118.33 112.30 2jfb n VAL 48 Ca 0.00 -0.09 -0.33 0.00 -0.01 0.00 0.00 64.34 63.90 2jfb n VAL 48 Cb 0.00 -1.89 0.02 0.00 -0.91 0.00 0.00 33.84 31.06 2jfb n VAL 48 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2jfb s LYS 49 N 3.56 3.11 0.23 5.55 1.02 -1.26 -4.23 119.74 127.72 2jfb s LYS 49 Ca 0.90 1.40 0.01 0.00 0.02 0.00 0.00 55.97 58.29 2jfb s LYS 49 Cb -0.65 -1.99 0.25 0.00 -0.52 0.00 0.00 37.83 34.92 2jfb s LYS 49 CO 0.48 -1.01 1.60 0.93 -0.92 0.00 0.00 175.35 176.43 2jfb h GLU 50 N 0.50 0.45 0.00 1.68 3.07 -1.96 -1.42 114.58 116.90 2jfb h GLU 50 Ca -0.48 -0.25 0.00 0.00 -0.50 0.00 0.00 59.36 58.14 2jfb h GLU 50 Cb 1.24 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 2jfb h GLU 50 CO 0.56 0.82 0.00 -0.85 -1.40 0.00 0.00 179.01 178.14 2jfb n GLU 51 N -4.00 0.01 -0.42 2.33 0.00 -1.26 -2.73 120.64 114.58 2jfb n GLU 51 Ca -0.02 0.22 0.08 0.00 0.00 0.00 0.00 57.16 57.44 2jfb n GLU 51 Cb 0.54 -1.50 0.26 0.00 0.00 0.00 0.00 31.44 30.73 2jfb n GLU 51 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2jfb n ASN 52 N -1.49 3.87 -4.10 -1.84 3.02 -0.54 -4.79 115.26 109.39 2jfb n ASN 52 Ca 0.04 -2.54 -0.36 0.00 -0.03 0.00 0.00 54.58 51.70 2jfb n ASN 52 Cb 0.18 -0.46 -0.12 0.00 -0.61 0.00 0.00 39.78 38.78 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 -1.98 3.25 -0.16 2.41 1.01 -1.10 -1.15 121.20 123.48 2jfb s ILE 53 Ca 0.39 -2.28 -0.17 0.00 0.00 0.00 0.00 60.65 58.58 2jfb s ILE 53 Cb 0.27 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 2jfb s ILE 53 CO 0.15 -0.72 0.43 -0.63 0.00 0.00 0.00 174.94 174.18 2jfb s ILE 54 N 0.86 5.20 -0.17 2.92 -1.09 -0.91 -4.96 121.20 123.05 2jfb s ILE 54 Ca 0.10 0.82 0.01 0.00 -2.23 0.00 0.00 60.65 59.35 2jfb s ILE 54 Cb -0.22 -3.77 0.01 0.00 -1.58 0.00 0.00 42.46 36.90 2jfb s ILE 54 CO -0.04 0.29 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.16 2jfb s ILE 55 N 0.95 2.39 0.17 2.92 1.01 -1.26 0.98 121.20 128.36 2jfb s ILE 55 Ca 0.22 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 60.05 2jfb s ILE 55 Cb -0.15 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.27 2jfb s ILE 55 CO 0.08 0.52 -0.04 -0.70 0.00 0.00 0.00 174.94 174.81 2jfb s GLU 56 N 1.03 1.11 0.22 2.79 2.56 -0.14 -4.99 118.70 121.28 2jfb s GLU 56 Ca -0.01 -1.51 0.10 0.00 0.00 0.00 0.00 54.97 53.54 2jfb s GLU 56 Cb -0.15 -0.43 -0.05 0.00 2.00 0.00 0.00 34.13 35.51 2jfb s GLU 56 CO -0.05 -0.05 -0.19 0.95 -0.56 0.00 0.00 175.26 175.36 2jfb s THR 57 N -3.51 2.12 0.10 -1.70 -4.23 -1.26 -1.95 115.64 105.21 2jfb s THR 57 Ca 0.21 -2.18 0.03 0.00 -1.18 0.00 0.00 61.69 58.57 2jfb s THR 57 Cb 0.05 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.75 2jfb s THR 57 CO 0.03 -0.38 -0.09 0.68 -0.54 0.00 0.00 174.62 174.32 2jfb s VAL 58 N -2.36 0.85 0.07 2.29 -7.23 -0.79 -4.92 120.40 108.31 2jfb s VAL 58 Ca 0.23 -1.75 -0.30 0.00 -1.81 0.00 0.00 61.98 58.36 2jfb s VAL 58 Cb -0.05 -1.47 -0.14 0.00 0.56 0.00 0.00 36.38 35.28 2jfb s VAL 58 CO 0.10 -0.67 1.46 -0.65 -0.31 0.00 0.00 175.10 175.03 2jfb h PRO 59 N 3.34 -0.82 0.00 4.82 0.11 -1.95 -2.42 132.00 135.07 2jfb h PRO 59 Ca -0.36 0.06 -0.37 0.00 0.11 0.00 0.00 66.00 65.43 2jfb h PRO 59 Cb 1.18 0.19 -0.08 0.00 0.11 0.00 0.00 31.00 32.40 2jfb h PRO 59 CO 0.57 -0.55 -0.29 0.41 -0.21 0.00 0.00 178.00 177.93 2jfb n GLY 60 N -1.47 3.69 0.15 -0.55 0.00 -1.26 -2.54 105.19 103.20 2jfb n GLY 60 Ca -0.10 -2.17 0.01 0.00 0.00 0.00 0.00 46.02 43.75 2jfb n GLY 60 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jfb h SER 61 N 0.88 0.00 0.36 1.61 0.02 -1.94 -3.05 113.55 111.44 2jfb h SER 61 Ca -0.23 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.69 2jfb h SER 61 Cb 0.77 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 2jfb h SER 61 CO 0.37 0.54 -0.15 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 -2.32 116.94 119.66 2jfb h PHE 62 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2jfb h PHE 62 Cb 1.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.74 2jfb h PHE 62 CO 0.00 0.15 -0.13 0.39 -2.23 0.00 0.00 178.31 176.48 2jfb n GLU 63 N -3.75 0.59 -0.04 1.11 4.71 -1.15 -4.30 120.64 117.82 2jfb n GLU 63 Ca -0.02 -0.21 -0.11 0.00 -0.01 0.00 0.00 57.16 56.81 2jfb n GLU 63 Cb 0.26 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 29.14 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 0.51 0.23 0.27 -4.62 3.38 -1.53 0.14 115.31 113.69 2jfb h LEU 64 Ca 0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2jfb h LEU 64 Cb 0.38 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2jfb h LEU 64 CO 0.00 0.28 -0.13 -0.65 0.09 0.00 0.00 178.44 178.03 2jfb h PRO 65 N 0.16 -0.35 -0.14 1.13 0.11 -1.79 0.17 132.00 131.29 2jfb h PRO 65 Ca 0.06 0.02 -0.17 0.00 0.11 0.00 0.00 66.00 66.03 2jfb h PRO 65 Cb 0.11 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 2jfb h PRO 65 CO -0.01 -0.21 -0.62 -0.92 -0.21 0.00 0.00 178.00 176.03 2jfb h TYR 66 N -0.39 0.63 -1.00 0.65 3.20 -1.83 -2.57 116.97 115.65 2jfb h TYR 66 Ca -0.04 -0.24 0.07 0.00 3.14 0.00 0.00 58.73 61.66 2jfb h TYR 66 Cb 0.30 -0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.39 2jfb h TYR 66 CO -0.05 0.98 0.65 0.78 -1.64 0.00 0.00 178.16 178.88 2jfb h GLY 67 N 1.14 1.53 0.97 1.82 0.00 -0.66 0.15 103.07 108.03 2jfb h GLY 67 Ca -0.01 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 2jfb h GLY 67 CO 0.11 0.34 0.21 1.76 0.00 0.00 0.00 176.54 178.96 2jfb h SER 68 N 1.17 0.70 -0.30 0.19 0.02 -0.45 0.94 113.55 115.82 2jfb h SER 68 Ca 0.43 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 2jfb h SER 68 Cb 0.17 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2jfb h SER 68 CO -0.17 0.67 0.14 0.50 -1.14 0.00 0.00 176.83 176.83 2jfb h LYS 69 N 0.69 0.43 -0.36 3.45 3.11 -0.99 0.32 116.57 123.22 2jfb h LYS 69 Ca 0.17 -0.06 -0.10 0.00 -2.81 0.00 0.00 60.65 57.85 2jfb h LYS 69 Cb 0.18 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.32 2jfb h LYS 69 CO -0.02 0.41 -0.17 -0.07 -2.81 0.00 0.00 179.45 176.79 2jfb h LEU 70 N 0.35 0.66 -0.46 5.20 3.38 -0.89 -2.05 115.31 121.49 2jfb h LEU 70 Ca 0.10 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 2jfb h LEU 70 Cb 0.12 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2jfb h LEU 70 CO -0.01 0.84 -0.02 0.15 0.09 0.00 0.00 178.44 179.49 2jfb h PHE 71 N 0.59 0.91 -0.34 1.13 3.57 -0.57 -1.77 116.94 120.46 2jfb h PHE 71 Ca 0.09 -0.16 -0.05 0.00 3.53 0.00 0.00 57.97 61.38 2jfb h PHE 71 Cb 0.63 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2jfb h PHE 71 CO 0.03 0.88 0.02 0.28 -2.23 0.00 0.00 178.31 177.29 2jfb h VAL 72 N 0.68 1.25 -0.28 1.41 2.07 -0.82 -2.52 116.25 118.04 2jfb h VAL 72 Ca 0.13 -0.92 -0.08 0.00 0.82 0.00 0.00 66.70 66.65 2jfb h VAL 72 Cb 0.53 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2jfb h VAL 72 CO 0.03 0.30 -0.17 -0.33 0.02 0.00 0.00 177.57 177.42 2jfb h GLU 73 N 0.40 0.50 -0.43 1.57 4.39 -1.35 -1.97 114.58 117.69 2jfb h GLU 73 Ca 0.10 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 2jfb h GLU 73 Cb 0.42 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 2jfb h GLU 73 CO 0.01 0.65 -0.02 -0.22 -1.16 0.00 0.00 179.01 178.28 2jfb h LYS 74 N 0.45 0.78 -0.19 2.33 3.64 -1.27 -2.02 116.57 120.29 2jfb h LYS 74 Ca 0.08 -0.26 -0.07 0.00 -1.27 0.00 0.00 60.65 59.13 2jfb h LYS 74 Cb 0.56 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2jfb h LYS 74 CO 0.04 0.86 -0.20 1.96 -2.27 0.00 0.00 179.45 179.84 2jfb h GLN 75 N 0.61 0.33 -0.28 1.90 1.08 -1.22 -0.74 115.11 116.79 2jfb h GLN 75 Ca 0.12 -0.10 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 2jfb h GLN 75 Cb 0.52 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 2jfb h GLN 75 CO 0.03 0.52 -0.02 0.87 -0.95 0.00 0.00 178.83 179.27 2jfb h LYS 76 N 0.30 0.51 0.00 1.46 1.57 -1.24 -0.62 116.57 118.55 2jfb h LYS 76 Ca 0.05 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2jfb h LYS 76 Cb 0.52 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 2jfb h LYS 76 CO 0.03 0.69 -0.05 0.00 -0.57 0.00 0.00 179.45 179.55 2jfb h ARG 77 N 0.29 0.00 0.00 3.15 3.08 -1.07 -2.63 114.38 117.20 2jfb h ARG 77 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2jfb h ARG 77 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2jfb h ARG 77 CO 0.02 0.05 -0.45 -0.11 -1.07 0.00 0.00 179.97 178.41 2jfb n LEU 78 N -3.22 0.71 0.00 3.04 7.94 -0.31 -4.94 117.00 120.23 2jfb n LEU 78 Ca -0.01 0.31 0.00 0.00 -1.11 0.00 0.00 56.01 55.21 2jfb n LEU 78 Cb 0.26 -0.22 0.00 0.00 0.53 0.00 0.00 43.42 43.99 2jfb n LEU 78 CO 0.27 -0.08 0.00 0.61 -1.11 0.00 0.00 177.39 177.08 2jfb n GLY 79 N 1.34 0.74 2.50 -3.96 0.00 -0.99 -5.00 105.19 99.82 2jfb n GLY 79 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.35 1.89 -2.13 1.61 4.76 -0.27 -5.02 118.16 116.64 2jfb n LYS 80 Ca 0.00 -4.28 -0.35 0.00 -2.87 0.00 0.00 58.31 50.81 2jfb n LYS 80 Cb 0.00 -2.05 0.01 0.00 -1.84 0.00 0.00 35.03 31.15 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 -1.84 3.21 0.07 1.97 0.04 -1.19 -4.47 135.00 132.80 2jfb s PRO 81 Ca 0.35 1.56 -0.22 0.00 0.04 0.00 0.00 61.00 62.73 2jfb s PRO 81 Cb 0.10 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 2jfb s PRO 81 CO -0.08 -0.95 0.64 -0.51 0.04 0.00 0.00 177.00 176.14 2jfb s LEU 82 N -4.06 4.50 0.23 -3.56 1.43 -1.26 -4.69 118.68 111.27 2jfb s LEU 82 Ca 0.71 1.34 0.22 0.00 -1.03 0.00 0.00 54.13 55.38 2jfb s LEU 82 Cb -0.23 -3.03 0.04 0.00 0.03 0.00 0.00 46.19 43.00 2jfb s LEU 82 CO 0.31 0.19 1.11 0.44 0.23 0.00 0.00 176.35 178.63 2jfb h ASP 83 N 4.91 0.00 -4.67 2.29 3.32 -0.82 -3.48 116.42 117.96 2jfb h ASP 83 Ca -0.47 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.63 2jfb h ASP 83 Cb 1.21 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.59 2jfb h ASP 83 CO 0.66 0.02 0.39 0.00 -1.72 0.00 0.00 179.24 178.60 2jfb s ALA 84 N -3.33 -1.79 -0.00 3.45 0.00 -1.24 -4.20 121.76 114.65 2jfb s ALA 84 Ca 0.00 1.07 0.04 0.00 0.00 0.00 0.00 51.96 53.07 2jfb s ALA 84 Cb 0.09 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 2jfb s ALA 84 CO 0.77 -0.58 -0.13 -1.50 0.00 0.00 0.00 175.76 174.32 2jfb s ILE 85 N -2.54 1.05 -0.50 0.00 2.07 -0.48 -1.46 121.20 119.33 2jfb s ILE 85 Ca 0.00 -0.62 0.02 0.00 -1.41 0.00 0.00 60.65 58.64 2jfb s ILE 85 Cb -0.01 -0.88 0.13 0.00 0.13 0.00 0.00 42.46 41.83 2jfb s ILE 85 CO -0.05 0.25 0.25 -0.63 -1.91 0.00 0.00 174.94 172.86 2jfb s ILE 86 N -0.39 2.81 -0.12 2.00 1.01 -0.11 -1.39 121.20 125.01 2jfb s ILE 86 Ca 0.05 -2.97 -0.29 0.00 0.00 0.00 0.00 60.65 57.43 2jfb s ILE 86 Cb -0.05 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 2jfb s ILE 86 CO -0.00 -0.77 1.36 -2.84 0.00 0.00 0.00 174.94 172.69 2jfb s PRO 87 N 0.09 4.23 -0.14 2.79 0.02 -1.24 -1.94 135.00 138.81 2jfb s PRO 87 Ca 0.15 1.81 0.01 0.00 0.02 0.00 0.00 61.00 62.99 2jfb s PRO 87 Cb -0.23 -3.79 -0.01 0.00 0.02 0.00 0.00 34.50 30.49 2jfb s PRO 87 CO -0.03 -0.72 -0.15 0.42 -0.33 0.00 0.00 177.00 176.19 2jfb s ILE 88 N 3.47 2.75 -0.02 2.83 1.01 0.13 -2.07 121.20 129.31 2jfb s ILE 88 Ca 0.60 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 60.38 2jfb s ILE 88 Cb -0.25 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.09 2jfb s ILE 88 CO 0.19 0.52 0.23 -0.83 0.00 0.00 0.00 174.94 175.06 2jfb s GLY 89 N 0.55 -0.08 -0.24 6.18 0.00 -0.78 -1.01 107.32 111.94 2jfb s GLY 89 Ca -0.10 0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.85 2jfb s GLY 89 CO 0.04 0.05 -0.12 0.14 0.00 0.00 0.00 173.10 173.21 2jfb s VAL 90 N -1.10 2.26 -0.20 1.40 1.01 -1.26 -0.68 120.40 121.84 2jfb s VAL 90 Ca -0.12 -1.38 -0.03 0.00 0.00 0.00 0.00 61.98 60.45 2jfb s VAL 90 Cb -0.06 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 2jfb s VAL 90 CO 0.03 0.13 -0.07 -0.76 0.00 0.00 0.00 175.10 174.43 2jfb s LEU 91 N 1.18 2.81 -0.11 3.92 1.43 0.01 -4.82 118.68 123.10 2jfb s LEU 91 Ca -0.04 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 2jfb s LEU 91 Cb -0.18 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 2jfb s LEU 91 CO -0.07 0.02 -0.11 -0.63 0.23 0.00 0.00 176.35 175.79 2jfb s ILE 92 N 1.23 3.26 0.12 -0.59 -1.09 -1.26 -1.07 121.20 121.80 2jfb s ILE 92 Ca 0.03 -0.61 -0.32 0.00 -2.23 0.00 0.00 60.65 57.52 2jfb s ILE 92 Cb -0.14 -2.36 -0.12 0.00 -1.58 0.00 0.00 42.46 38.26 2jfb s ILE 92 CO -0.03 0.54 1.78 1.17 -1.23 0.00 0.00 174.94 177.18 2jfb n LYS 93 N 3.11 2.61 0.00 2.79 3.00 -0.53 -4.85 118.16 124.30 2jfb n LYS 93 Ca -0.18 0.95 0.00 0.00 -0.00 0.00 0.00 58.31 59.08 2jfb n LYS 93 Cb 0.53 -2.81 0.00 0.00 0.00 0.00 0.00 35.03 32.75 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 4.06 2.79 0.09 3.14 0.00 -1.26 -4.84 105.19 109.17 2jfb n GLY 94 Ca 0.18 -1.86 -0.04 0.00 0.00 0.00 0.00 46.02 44.30 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 0.00 -5.40 1.61 0.02 -2.01 -3.48 113.55 104.29 2jfb h SER 95 Ca 0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 2jfb h SER 95 Cb 0.00 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.57 2jfb h SER 95 CO 0.00 0.82 -0.01 0.35 -1.14 0.00 0.00 176.83 176.85 2jfb n THR 96 N -3.10 0.00 1.38 -2.27 -2.24 -1.26 -5.01 114.28 101.78 2jfb n THR 96 Ca -0.08 -1.17 0.12 0.00 -2.27 0.00 0.00 64.05 60.64 2jfb n THR 96 Cb 0.93 -0.80 0.46 0.00 -2.10 0.00 0.00 70.33 68.82 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 -1.91 1.66 -0.18 -0.78 0.00 -1.26 -4.37 117.12 110.28 2jfb n MET 97 Ca 0.10 -0.98 -0.02 0.00 0.00 0.00 0.00 57.70 56.80 2jfb n MET 97 Cb 0.38 -1.43 0.04 0.00 0.00 0.00 0.00 33.22 32.22 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 2.14 -0.35 -0.52 2.03 -0.00 -1.97 -1.38 115.15 115.09 2jfb h HIS 98 Ca 0.00 0.05 0.10 0.00 -0.00 0.00 0.00 60.37 60.53 2jfb h HIS 98 Cb 0.46 0.24 -0.10 0.00 -0.00 0.00 0.00 27.41 28.01 2jfb h HIS 98 CO 0.06 -0.26 -0.15 0.35 -0.00 0.00 0.00 177.93 177.93 2jfb h PHE 99 N -0.02 -0.33 -0.93 5.26 3.57 -1.89 -1.69 116.94 120.91 2jfb h PHE 99 Ca 0.26 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 2jfb h PHE 99 Cb 0.42 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 2jfb h PHE 99 CO -0.48 -0.24 0.55 0.93 -2.23 0.00 0.00 178.31 176.84 2jfb h GLU 100 N -0.02 1.27 0.00 1.11 3.07 -1.56 -2.00 114.58 116.44 2jfb h GLU 100 Ca 0.25 -0.12 -0.22 0.00 -0.50 0.00 0.00 59.36 58.77 2jfb h GLU 100 Cb 0.41 -0.26 -0.03 0.00 -0.84 0.00 0.00 28.75 28.02 2jfb h GLU 100 CO -0.55 0.89 -1.27 1.88 -1.40 0.00 0.00 179.01 178.56 2jfb h TYR 101 N 1.29 0.00 -0.30 4.33 0.05 -1.27 -2.71 116.97 118.35 2jfb h TYR 101 Ca 0.33 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 59.02 2jfb h TYR 101 Cb -0.04 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 2jfb h TYR 101 CO 0.01 0.84 -0.16 0.82 -1.05 0.00 0.00 178.16 178.61 2jfb h ILE 102 N 0.00 1.29 -0.38 -2.88 1.08 -1.26 -2.86 117.51 112.50 2jfb h ILE 102 Ca -0.14 -1.28 -0.01 0.00 -0.39 0.00 0.00 64.86 63.04 2jfb h ILE 102 Cb 1.76 1.47 -0.02 0.00 -3.07 0.00 0.00 36.82 36.96 2jfb h ILE 102 CO 0.08 0.41 0.18 0.00 -0.69 0.00 0.00 178.15 178.14 2jfb h ASP 104 N 0.47 -0.09 -0.11 0.00 3.58 -1.52 -1.80 116.42 116.95 2jfb h ASP 104 Ca 0.13 -0.12 -0.20 0.00 0.42 0.00 0.00 57.03 57.27 2jfb h ASP 104 Cb 0.12 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2jfb h ASP 104 CO -0.02 0.06 -0.66 0.77 -2.88 0.00 0.00 179.24 176.52 2jfb h SER 105 N -0.24 0.84 -0.19 2.28 4.64 -1.55 -2.73 113.55 116.60 2jfb h SER 105 Ca -0.01 -0.50 -0.02 0.00 -0.47 0.00 0.00 61.79 60.79 2jfb h SER 105 Cb 0.20 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2jfb h SER 105 CO 0.02 1.28 0.05 0.74 -0.87 0.00 0.00 176.83 178.05 2jfb h THR 106 N 0.53 1.20 -0.17 2.95 2.02 -1.39 -2.16 112.91 115.89 2jfb h THR 106 Ca -0.02 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.55 2jfb h THR 106 Cb 1.26 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 2jfb h THR 106 CO 0.13 0.19 0.11 0.74 0.37 0.00 0.00 175.52 177.07 2jfb h THR 107 N 0.12 1.04 -0.83 3.16 2.02 -1.35 -0.77 112.91 116.31 2jfb h THR 107 Ca 0.06 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 2jfb h THR 107 Cb 0.25 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 2jfb h THR 107 CO -0.00 0.04 0.50 0.45 0.37 0.00 0.00 175.52 176.88 2jfb h HIS 108 N 0.23 1.09 -0.29 3.16 3.86 -1.50 -1.61 115.15 120.09 2jfb h HIS 108 Ca 0.06 -0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.09 2jfb h HIS 108 Cb -0.02 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.09 2jfb h HIS 108 CO -0.07 0.72 -0.55 1.96 0.86 0.00 0.00 177.93 180.86 2jfb h GLN 109 N 1.14 0.87 -0.60 2.45 1.08 -1.14 -1.42 115.11 117.49 2jfb h GLN 109 Ca 0.30 -0.55 -0.09 0.00 -1.45 0.00 0.00 58.65 56.85 2jfb h GLN 109 Cb -0.05 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 2jfb h GLN 109 CO -0.06 1.19 0.00 -0.07 -0.95 0.00 0.00 178.83 178.94 2jfb h LEU 110 N 0.66 1.03 -0.30 1.46 3.38 -1.05 0.15 115.31 120.65 2jfb h LEU 110 Ca 0.01 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.70 2jfb h LEU 110 Cb 1.16 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2jfb h LEU 110 CO 0.12 1.08 0.15 -0.03 0.09 0.00 0.00 178.44 179.86 2jfb h MET 111 N 0.95 0.31 0.00 1.13 4.05 -1.29 -2.73 114.93 117.35 2jfb h MET 111 Ca 0.17 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.50 2jfb h MET 111 Cb 0.55 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 2jfb h MET 111 CO 0.03 0.20 -0.35 -0.22 0.23 0.00 0.00 176.91 176.81 2jfb h LYS 112 N 0.32 0.00 0.00 0.39 3.64 -0.98 -3.03 116.57 116.90 2jfb h LYS 112 Ca 0.12 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 2jfb h LYS 112 Cb 0.03 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2jfb h LYS 112 CO -0.08 0.35 -0.08 1.25 -2.27 0.00 0.00 179.45 178.62 2jfb h LEU 113 N 0.00 0.00 -0.66 5.20 5.85 -0.38 -1.55 115.31 123.77 2jfb h LEU 113 Ca -0.00 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.83 2jfb h LEU 113 Cb 0.65 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.60 2jfb h LEU 113 CO 0.05 0.08 0.25 0.78 -0.34 0.00 0.00 178.44 179.25 2jfb h ASN 114 N 0.00 0.23 0.94 1.25 2.35 -1.55 0.52 115.58 119.32 2jfb h ASN 114 Ca -0.00 0.09 -0.20 0.00 -0.55 0.00 0.00 56.30 55.64 2jfb h ASN 114 Cb 0.31 0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.72 2jfb h ASN 114 CO 0.01 0.12 -1.12 -0.26 -1.65 0.00 0.00 177.43 174.53 2jfb h PHE 115 N 0.42 0.00 0.36 1.19 -1.00 -1.51 -2.53 116.94 113.87 2jfb h PHE 115 Ca 0.35 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.11 2jfb h PHE 115 Cb 0.47 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.03 2jfb h PHE 115 CO -0.17 0.82 -0.17 0.93 -1.61 0.00 0.00 178.31 178.11 2jfb h GLU 116 N 0.00 -0.46 0.00 1.51 4.39 -1.19 -3.34 114.58 115.48 2jfb h GLU 116 Ca -0.10 0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 2jfb h GLU 116 Cb 1.71 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 30.46 2jfb h GLU 116 CO 0.09 -0.15 -0.50 -0.07 -1.16 0.00 0.00 179.01 177.22 2jfb h LEU 117 N -0.80 0.00 0.00 1.33 3.38 -1.03 -3.48 115.31 114.71 2jfb h LEU 117 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2jfb h LEU 117 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2jfb h LEU 117 CO 0.08 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.41 2jfb n GLY 118 N 1.18 0.78 3.30 0.83 0.00 -0.95 -5.03 105.19 105.30 2jfb n GLY 118 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.13 1.77 0.19 -0.61 -4.36 -1.23 -5.03 121.20 108.79 2jfb s ILE 119 Ca 0.00 -1.61 -0.33 0.00 -0.26 0.00 0.00 60.65 58.45 2jfb s ILE 119 Cb 0.00 -1.63 -0.14 0.00 1.25 0.00 0.00 42.46 41.94 2jfb s ILE 119 CO 0.00 -0.09 1.52 -2.65 0.24 0.00 0.00 174.94 173.96 2jfb n PRO 120 N 0.96 2.09 -3.94 0.37 -0.02 -1.26 -4.43 135.00 128.76 2jfb n PRO 120 Ca -0.18 0.75 -0.34 0.00 -2.02 0.00 0.00 63.50 61.71 2jfb n PRO 120 Cb 0.54 -2.48 -0.14 0.00 -0.02 0.00 0.00 33.50 31.40 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 0.57 2.69 -0.12 -1.45 1.01 -1.26 -1.38 120.40 120.46 2jfb s VAL 121 Ca 0.75 -1.83 -0.26 0.00 0.00 0.00 0.00 61.98 60.64 2jfb s VAL 121 Cb -0.67 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 2jfb s VAL 121 CO 0.42 -0.34 0.84 -0.63 0.00 0.00 0.00 175.10 175.39 2jfb s ILE 122 N 1.10 4.90 -0.76 2.22 -1.09 -0.49 -4.88 121.20 122.21 2jfb s ILE 122 Ca 0.01 1.69 -0.26 0.00 -2.23 0.00 0.00 60.65 59.87 2jfb s ILE 122 Cb -0.20 -4.16 -0.01 0.00 -1.58 0.00 0.00 42.46 36.51 2jfb s ILE 122 CO -0.04 0.09 1.72 0.12 -1.23 0.00 0.00 174.94 175.59 2jfb s PHE 123 N 1.71 1.93 -0.49 3.97 5.36 -1.26 -3.66 117.98 125.54 2jfb s PHE 123 Ca 0.41 0.38 0.03 0.00 -0.96 0.00 0.00 56.93 56.79 2jfb s PHE 123 Cb -0.18 -4.26 0.50 0.00 -0.34 0.00 0.00 43.02 38.74 2jfb s PHE 123 CO 0.16 -2.08 1.74 0.41 -1.46 0.00 0.00 175.22 173.99 2jfb n GLY 124 N 6.07 5.61 3.41 13.12 0.00 -0.88 -4.95 105.19 127.57 2jfb n GLY 124 Ca 0.23 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.89 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 -4.27 4.01 -0.15 1.61 1.01 -1.25 -1.86 120.40 119.49 2jfb s VAL 125 Ca 0.57 -0.28 -0.24 0.00 0.00 0.00 0.00 61.98 62.04 2jfb s VAL 125 Cb 0.47 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 2jfb s VAL 125 CO 0.02 0.37 0.75 -0.76 0.00 0.00 0.00 175.10 175.48 2jfb s LEU 126 N 1.51 4.20 -0.85 3.92 1.43 0.15 -4.94 118.68 124.10 2jfb s LEU 126 Ca 0.06 1.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.25 2jfb s LEU 126 Cb -0.15 -3.11 0.23 0.00 0.03 0.00 0.00 46.19 43.19 2jfb s LEU 126 CO 0.01 -0.30 0.84 0.35 0.23 0.00 0.00 176.35 177.48 2jfb n THR 127 N 4.50 3.04 -4.01 5.49 -2.24 -1.26 -0.81 114.28 119.00 2jfb n THR 127 Ca 0.02 -5.22 -0.23 0.00 -2.27 0.00 0.00 64.05 56.34 2jfb n THR 127 Cb 0.50 -2.26 -0.03 0.00 -2.10 0.00 0.00 70.33 66.44 2jfb n THR 127 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jfb n LEU 129 N -1.03 2.62 -4.62 0.00 4.77 -1.26 -1.45 117.00 116.03 2jfb n LEU 129 Ca -0.08 0.20 -0.26 0.00 -0.03 0.00 0.00 56.01 55.84 2jfb n LEU 129 Cb 0.56 -1.09 -0.10 0.00 -2.33 0.00 0.00 43.42 40.47 2jfb n LEU 129 CO 0.45 0.85 -0.29 0.42 -1.33 0.00 0.00 177.39 177.49 2jfb s THR 130 N -2.56 2.29 0.29 -5.08 -4.23 -1.26 -3.61 115.64 101.48 2jfb s THR 130 Ca -0.23 -1.99 0.10 0.00 -1.18 0.00 0.00 61.69 58.39 2jfb s THR 130 Cb 0.07 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 71.05 2jfb s THR 130 CO 0.76 -0.11 1.66 0.44 -0.54 0.00 0.00 174.62 176.84 2jfb h ASP 131 N 1.79 0.04 -0.47 3.99 3.32 -1.95 -3.17 116.42 119.97 2jfb h ASP 131 Ca -0.43 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 56.49 2jfb h ASP 131 Cb 1.25 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 2jfb h ASP 131 CO 0.73 0.58 -0.11 -0.08 -1.72 0.00 0.00 179.24 178.64 2jfb h GLU 132 N 0.03 0.94 -0.78 3.56 4.22 -1.99 -2.59 114.58 117.96 2jfb h GLU 132 Ca -0.00 -0.34 -0.03 0.00 0.08 0.00 0.00 59.36 59.07 2jfb h GLU 132 Cb 0.99 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 2jfb h GLU 132 CO 0.07 1.00 0.36 1.96 -2.18 0.00 0.00 179.01 180.22 2jfb h GLN 133 N 0.84 1.14 -0.12 1.92 4.20 -1.97 -1.42 115.11 119.69 2jfb h GLN 133 Ca 0.13 -0.18 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 2jfb h GLN 133 Cb 0.65 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2jfb h GLN 133 CO 0.04 0.89 -0.56 0.00 -0.67 0.00 0.00 178.83 178.54 2jfb h ALA 134 N 1.19 0.82 -0.24 3.87 0.00 -1.57 -2.72 119.26 120.60 2jfb h ALA 134 Ca 0.27 -0.51 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 2jfb h ALA 134 Cb 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2jfb h ALA 134 CO -0.03 0.69 -0.46 0.93 0.00 0.00 0.00 179.25 180.38 2jfb h GLU 135 N 0.28 0.62 -0.02 0.00 5.08 -1.28 -2.77 114.58 116.50 2jfb h GLU 135 Ca 0.00 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 57.94 2jfb h GLU 135 Cb 1.06 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2jfb h GLU 135 CO 0.09 0.95 -0.33 0.00 -1.00 0.00 0.00 179.01 178.73 2jfb h ALA 136 N 0.99 1.43 -0.38 3.43 0.00 -1.16 -1.25 119.26 122.31 2jfb h ALA 136 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2jfb h ALA 136 Cb 0.99 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2jfb h ALA 136 CO 0.09 0.43 0.00 0.54 0.00 0.00 0.00 179.25 180.31 2jfb n ARG 137 N -4.14 2.17 0.00 0.00 1.74 -1.04 -3.64 116.66 111.75 2jfb n ARG 137 Ca -0.02 -1.79 0.04 0.00 -0.77 0.00 0.00 57.85 55.31 2jfb n ARG 137 Cb 0.37 -1.44 0.02 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 0.98 2.61 -1.34 7.54 0.00 -0.97 -1.43 120.51 127.89 2jfb n ALA 138 Ca 0.18 -0.49 -0.01 0.00 0.00 0.00 0.00 53.44 53.12 2jfb n ALA 138 Cb 0.46 -0.30 -0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 0.65 0.42 0.02 0.00 0.00 -1.11 -4.53 105.19 100.65 2jfb n GLY 139 Ca 0.04 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.14 0.51 -4.47 0.99 4.77 -0.51 -4.82 117.00 113.33 2jfb n LEU 140 Ca -0.01 0.13 -0.34 0.00 -0.03 0.00 0.00 56.01 55.76 2jfb n LEU 140 Cb 0.19 -0.25 -0.12 0.00 -2.33 0.00 0.00 43.42 40.90 2jfb n LEU 140 CO 0.02 0.05 -0.36 -0.63 -1.33 0.00 0.00 177.39 175.14 2jfb s ILE 141 N -3.06 3.79 -0.14 -0.08 1.01 -1.25 -5.00 121.20 116.47 2jfb s ILE 141 Ca 0.10 -0.39 -0.33 0.00 0.00 0.00 0.00 60.65 60.03 2jfb s ILE 141 Cb 0.16 -2.67 -0.10 0.00 0.01 0.00 0.00 42.46 39.86 2jfb s ILE 141 CO 0.69 0.48 1.99 -0.62 0.00 0.00 0.00 174.94 177.48 2jfb n GLU 142 N 3.71 2.02 -1.90 2.79 1.02 -1.26 -2.70 120.64 124.32 2jfb n GLU 142 Ca -0.17 0.70 -0.15 0.00 -0.02 0.00 0.00 57.16 57.51 2jfb n GLU 142 Cb 0.52 -2.74 -0.03 0.00 -0.02 0.00 0.00 31.44 29.17 2jfb n GLU 142 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jfb n GLY 143 N 4.98 0.58 3.08 0.62 0.00 -1.26 -5.00 105.19 108.18 2jfb n GLY 143 Ca 0.27 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.09 2.65 3.55 1.61 2.20 -1.10 -5.07 119.74 119.49 2jfb s LYS 144 Ca 0.00 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 54.91 2jfb s LYS 144 Cb 0.00 -2.32 0.00 0.00 -1.51 0.00 0.00 37.83 34.00 2jfb s LYS 144 CO 0.00 -0.19 0.00 -1.33 -0.36 0.00 0.00 175.35 173.47 2jfb n MET 145 N 4.60 0.00 -3.86 4.03 2.81 -1.26 -4.77 117.12 118.67 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 0.50 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.97 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 0.08 -0.21 2.03 -3.43 -1.26 -5.01 115.29 107.50 2jfb s HIS 146 Ca 0.00 -0.45 -0.29 0.00 -0.80 0.00 0.00 55.06 53.52 2jfb s HIS 146 Cb 0.00 0.31 -0.02 0.00 -1.43 0.00 0.00 32.58 31.45 2jfb s HIS 146 CO 0.00 -0.95 1.38 1.21 -2.00 0.00 0.00 174.74 174.38 2jfb s ASN 147 N -2.93 6.72 0.54 7.38 3.84 -1.26 -4.01 114.94 125.21 2jfb s ASN 147 Ca 0.14 1.57 0.32 0.00 0.21 0.00 0.00 52.86 55.10 2jfb s ASN 147 Cb -0.01 -2.54 1.31 0.00 -0.55 0.00 0.00 41.25 39.46 2jfb s ASN 147 CO 0.02 -0.97 1.97 0.45 -2.79 0.00 0.00 177.10 175.77 2jfb h HIS 148 N 9.15 0.00 -0.80 0.43 3.86 -1.55 -2.96 115.15 123.28 2jfb h HIS 148 Ca -0.29 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 58.98 2jfb h HIS 148 Cb 1.12 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.54 2jfb h HIS 148 CO 0.86 0.04 0.52 0.78 0.86 0.00 0.00 177.93 180.99 2jfb h GLY 149 N 2.00 1.11 1.42 2.45 0.00 -1.80 -2.01 103.07 106.24 2jfb h GLY 149 Ca -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 2jfb h GLY 149 CO 0.00 0.28 0.28 0.83 0.00 0.00 0.00 176.54 177.94 2jfb h GLU 150 N 0.90 0.76 -0.30 4.80 5.08 -1.58 -1.46 114.58 122.79 2jfb h GLU 150 Ca 0.34 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 2jfb h GLU 150 Cb 0.18 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2jfb h GLU 150 CO -0.11 0.58 -0.10 -0.44 -1.00 0.00 0.00 179.01 177.94 2jfb h ASP 151 N 0.77 0.60 -0.50 1.42 3.32 -1.53 -2.49 116.42 118.01 2jfb h ASP 151 Ca 0.20 -0.38 -0.07 0.00 0.02 0.00 0.00 57.03 56.80 2jfb h ASP 151 Cb 0.05 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2jfb h ASP 151 CO -0.03 0.84 0.07 -0.50 -1.72 0.00 0.00 179.24 177.90 2jfb h TRP 152 N 0.35 0.94 -0.52 4.55 6.55 -1.10 0.15 115.95 126.87 2jfb h TRP 152 Ca 0.07 -0.12 -0.08 0.00 0.95 0.00 0.00 58.89 59.72 2jfb h TRP 152 Cb 0.59 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 28.61 2jfb h TRP 152 CO 0.05 0.82 0.03 0.78 -1.05 0.00 0.00 178.44 179.07 2jfb h GLY 153 N 1.00 0.97 1.29 1.49 0.00 -1.30 -1.40 103.07 105.12 2jfb h GLY 153 Ca 0.17 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.73 2jfb h GLY 153 CO 0.01 0.64 -0.01 0.00 0.00 0.00 0.00 176.54 177.17 2jfb h ALA 154 N 0.95 1.03 -0.25 3.60 0.00 -1.06 -3.02 119.26 120.51 2jfb h ALA 154 Ca 0.15 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 2jfb h ALA 154 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2jfb h ALA 154 CO 0.02 0.60 -0.34 0.00 0.00 0.00 0.00 179.25 179.54 2jfb h ALA 155 N 1.19 0.95 -0.66 0.00 0.00 -0.55 -2.93 119.26 117.26 2jfb h ALA 155 Ca 0.15 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2jfb h ALA 155 Cb 0.49 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2jfb h ALA 155 CO 0.02 0.61 0.10 0.00 0.00 0.00 0.00 179.25 179.99 2jfb h ALA 156 N 1.18 0.94 -0.27 0.00 0.00 -1.13 -1.93 119.26 118.04 2jfb h ALA 156 Ca 0.05 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 2jfb h ALA 156 Cb 0.80 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jfb h ALA 156 CO 0.07 0.66 -0.40 0.28 0.00 0.00 0.00 179.25 179.86 2jfb h VAL 157 N 1.01 1.30 -0.05 0.00 2.07 -1.52 -2.81 116.25 116.25 2jfb h VAL 157 Ca 0.20 -1.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 2jfb h VAL 157 Cb 0.44 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2jfb h VAL 157 CO 0.01 0.51 0.01 -0.08 0.02 0.00 0.00 177.57 178.04 2jfb h GLU 158 N 0.49 0.08 0.00 1.57 4.81 -1.45 -2.83 114.58 117.26 2jfb h GLU 158 Ca 0.03 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2jfb h GLU 158 Cb 0.99 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 2jfb h GLU 158 CO 0.09 0.30 -0.22 0.52 -0.73 0.00 0.00 179.01 178.97 2jfb h MET 159 N -0.15 0.00 0.00 1.92 2.86 -1.42 0.24 114.93 118.38 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 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 2jfb h MET 159 CO 0.00 0.22 -0.19 0.00 1.06 0.00 0.00 176.91 178.00 2jfb h ALA 160 N 1.78 0.89 0.00 6.32 0.00 -1.46 -3.41 119.26 123.38 2jfb h ALA 160 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jfb h ALA 160 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2jfb h ALA 160 CO 0.03 0.00 -0.96 2.41 0.00 0.00 0.00 179.25 180.72 2jfb n THR 161 N -2.50 0.00 -0.34 0.00 -1.04 -0.86 -4.84 114.28 104.70 2jfb n THR 161 Ca 0.04 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.18 2jfb n THR 161 Cb 0.47 -0.53 0.31 0.00 -1.82 0.00 0.00 70.33 68.76 2jfb n THR 161 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2jfb h LYS 162 N 0.00 0.70 -2.36 -2.82 3.64 -0.79 -3.17 116.57 111.78 2jfb h LYS 162 Ca 0.00 -0.04 -0.74 0.00 -1.27 0.00 0.00 60.65 58.60 2jfb h LYS 162 Cb 0.96 -0.16 -0.32 0.00 -0.41 0.00 0.00 32.23 32.31 2jfb h LYS 162 CO 0.00 0.47 0.47 1.19 -2.27 0.00 0.00 179.45 179.30 2jfb n PHE 163 N -4.80 3.06 0.13 1.91 3.01 -1.26 -5.13 117.46 114.38 2jfb n PHE 163 Ca 0.23 -3.03 0.02 0.00 1.01 0.00 0.00 57.45 55.67 2jfb n PHE 163 Cb 0.56 -0.99 0.01 0.00 -0.01 0.00 0.00 39.48 39.06 2jfb n PHE 163 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86