#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 6.13 -0.02 7.72 3.68 -1.26 -4.86 116.67 128.06 2jfb s ASP 14 Ca 0.00 0.08 0.11 0.00 2.13 0.00 0.00 52.55 54.87 2jfb s ASP 14 Cb 0.00 -2.17 0.32 0.00 -1.45 0.00 0.00 42.92 39.62 2jfb s ASP 14 CO 0.00 -0.14 1.26 0.61 0.13 0.00 0.00 175.17 177.03 2jfb n GLY 15 N 4.89 2.90 0.20 2.66 0.00 -0.33 -4.66 105.19 110.86 2jfb n GLY 15 Ca -0.11 -0.43 0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 1.93 0.00 -0.30 1.61 4.64 -1.69 -1.31 113.55 118.42 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 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2jfb h SER 16 CO 0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 2jfb n LYS 17 N -2.50 2.92 -4.07 4.77 5.02 -1.26 -4.76 118.16 118.27 2jfb n LYS 17 Ca -0.01 -2.45 -0.29 0.00 -2.02 0.00 0.00 58.31 53.54 2jfb n LYS 17 Cb 0.12 -1.56 -0.07 0.00 -0.02 0.00 0.00 35.03 33.50 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 -1.93 3.73 -0.25 -0.35 1.43 -0.50 -5.09 118.68 115.73 2jfb s LEU 18 Ca 0.33 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 2jfb s LEU 18 Cb 0.23 -2.40 0.05 0.00 0.03 0.00 0.00 46.19 44.10 2jfb s LEU 18 CO 0.12 0.15 -0.11 -0.60 0.23 0.00 0.00 176.35 176.14 2jfb s ARG 19 N -2.53 2.45 -0.15 1.70 3.52 -1.26 -4.71 118.95 117.96 2jfb s ARG 19 Ca 0.29 -1.22 -0.05 0.00 -0.13 0.00 0.00 55.73 54.63 2jfb s ARG 19 Cb -0.12 -2.88 -0.03 0.00 -1.56 0.00 0.00 34.95 30.36 2jfb s ARG 19 CO 0.21 -0.50 0.01 0.42 -0.81 0.00 0.00 175.30 174.64 2jfb s ILE 20 N 1.17 4.33 -0.12 4.11 -1.09 -0.51 -0.38 121.20 128.70 2jfb s ILE 20 Ca -0.05 -0.21 -0.05 0.00 -2.23 0.00 0.00 60.65 58.11 2jfb s ILE 20 Cb -0.18 -2.90 -0.04 0.00 -1.58 0.00 0.00 42.46 37.76 2jfb s ILE 20 CO -0.06 0.51 0.06 -0.83 -1.23 0.00 0.00 174.94 173.39 2jfb s GLY 21 N 0.08 1.96 -0.21 6.18 0.00 -0.60 -1.51 107.32 113.23 2jfb s GLY 21 Ca 0.02 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 44.01 2jfb s GLY 21 CO 0.02 -0.35 -0.14 -0.42 0.00 0.00 0.00 173.10 172.20 2jfb s ILE 22 N -0.61 2.38 -0.30 0.90 1.01 0.90 -0.05 121.20 125.43 2jfb s ILE 22 Ca 0.11 -1.00 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 2jfb s ILE 22 Cb -0.12 -2.11 0.04 0.00 0.01 0.00 0.00 42.46 40.29 2jfb s ILE 22 CO 0.02 0.38 0.01 -0.22 0.00 0.00 0.00 174.94 175.14 2jfb s LEU 23 N 1.29 3.82 0.12 2.97 2.96 -0.85 -0.36 118.68 128.62 2jfb s LEU 23 Ca 0.02 -1.14 0.08 0.00 -0.22 0.00 0.00 54.13 52.88 2jfb s LEU 23 Cb -0.15 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 2jfb s LEU 23 CO -0.09 -0.24 -0.14 -1.38 -1.32 0.00 0.00 176.35 173.18 2jfb s HIS 24 N 1.31 2.62 0.95 5.38 -3.43 -0.51 0.23 115.29 121.83 2jfb s HIS 24 Ca -0.03 -0.22 -0.13 0.00 -0.80 0.00 0.00 55.06 53.87 2jfb s HIS 24 Cb -0.19 -1.37 0.16 0.00 -1.43 0.00 0.00 32.58 29.75 2jfb s HIS 24 CO -0.01 0.42 1.16 0.00 -2.00 0.00 0.00 174.74 174.30 2jfb s ALA 25 N -1.23 1.70 -0.46 -1.38 0.00 0.10 -1.28 121.76 119.22 2jfb s ALA 25 Ca 0.20 -0.65 0.09 0.00 0.00 0.00 0.00 51.96 51.60 2jfb s ALA 25 Cb -0.11 -2.99 -0.09 0.00 0.00 0.00 0.00 23.12 19.94 2jfb s ALA 25 CO 0.12 -2.45 0.40 0.54 0.00 0.00 0.00 175.76 174.37 2jfb n ARG 26 N -3.87 3.90 -2.29 0.00 1.74 -0.93 -4.80 116.66 110.41 2jfb n ARG 26 Ca 0.08 -0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.71 2jfb n ARG 26 Cb 0.59 -0.93 -0.03 0.00 -1.02 0.00 0.00 32.46 31.07 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 -1.80 3.32 -1.03 -1.55 0.52 -1.23 -3.73 118.94 113.44 2jfb s TRP 27 Ca 0.04 1.50 -0.09 0.00 0.02 0.00 0.00 56.10 57.57 2jfb s TRP 27 Cb 0.07 -3.49 -0.04 0.00 -1.15 0.00 0.00 33.47 28.85 2jfb s TRP 27 CO 0.36 -1.28 0.85 0.09 0.02 0.00 0.00 176.95 176.98 2jfb n ASN 28 N 1.34 -6.42 0.21 2.95 3.02 -1.26 -4.62 115.26 110.47 2jfb n ASN 28 Ca 0.01 -0.72 0.05 0.00 -0.03 0.00 0.00 54.58 53.89 2jfb n ASN 28 Cb 0.43 -4.66 0.44 0.00 -0.61 0.00 0.00 39.78 35.38 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 -1.08 0.00 -0.13 3.52 9.65 -1.93 -2.33 114.38 122.08 2jfb h ARG 29 Ca -0.55 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.36 2jfb h ARG 29 Cb 1.29 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.84 2jfb h ARG 29 CO 0.43 0.29 -0.02 -0.22 2.80 0.00 0.00 179.97 183.26 2jfb h LYS 30 N 0.00 0.02 0.00 0.20 1.63 -1.93 -2.37 116.57 114.13 2jfb h LYS 30 Ca -0.00 -0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.57 2jfb h LYS 30 Cb 0.55 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 2jfb h LYS 30 CO 0.04 0.01 -0.95 0.82 -3.45 0.00 0.00 179.45 175.92 2jfb h ILE 31 N 0.02 1.40 -0.09 2.00 2.04 -1.88 -3.28 117.51 117.71 2jfb h ILE 31 Ca 0.06 -2.45 0.02 0.00 1.00 0.00 0.00 64.86 63.48 2jfb h ILE 31 Cb 0.08 2.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 2jfb h ILE 31 CO -0.12 0.73 -0.02 0.40 0.00 0.00 0.00 178.15 179.15 2jfb h ILE 32 N 0.23 0.92 -0.43 -0.67 1.08 -1.36 -2.77 117.51 114.51 2jfb h ILE 32 Ca -0.08 -0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.34 2jfb h ILE 32 Cb 1.59 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 36.23 2jfb h ILE 32 CO 0.17 0.00 0.10 0.44 -0.69 0.00 0.00 178.15 178.17 2jfb h ASP 33 N 0.01 0.59 -0.28 1.72 3.32 -1.51 -1.49 116.42 118.77 2jfb h ASP 33 Ca 0.04 -0.09 -0.13 0.00 0.02 0.00 0.00 57.03 56.88 2jfb h ASP 33 Cb 0.06 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2jfb h ASP 33 CO -0.09 0.59 -0.28 0.00 -1.72 0.00 0.00 179.24 177.74 2jfb h ALA 34 N 1.50 0.80 -0.39 3.45 0.00 -1.59 -0.94 119.26 122.09 2jfb h ALA 34 Ca 0.14 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 2jfb h ALA 34 Cb 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2jfb h ALA 34 CO -0.00 0.65 -0.25 -0.07 0.00 0.00 0.00 179.25 179.57 2jfb h LEU 35 N 0.67 0.89 -0.11 0.00 3.38 -1.19 -2.40 115.31 116.55 2jfb h LEU 35 Ca 0.08 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 2jfb h LEU 35 Cb 0.81 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2jfb h LEU 35 CO 0.07 1.13 0.05 0.58 0.09 0.00 0.00 178.44 180.35 2jfb h VAL 36 N 0.66 1.14 -0.41 1.22 2.07 -1.20 -1.83 116.25 117.90 2jfb h VAL 36 Ca 0.08 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2jfb h VAL 36 Cb 0.82 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 2jfb h VAL 36 CO 0.07 0.12 0.25 0.00 0.02 0.00 0.00 177.57 178.04 2jfb h ALA 37 N 0.89 1.68 -0.30 1.67 0.00 -1.19 0.91 119.26 122.93 2jfb h ALA 37 Ca 0.04 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2jfb h ALA 37 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2jfb h ALA 37 CO -0.00 0.29 -0.13 0.78 0.00 0.00 0.00 179.25 180.19 2jfb h GLY 38 N 0.58 0.67 0.94 0.00 0.00 -1.26 0.02 103.07 104.01 2jfb h GLY 38 Ca 0.15 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 2jfb h GLY 38 CO -0.03 0.54 0.14 0.00 0.00 0.00 0.00 176.54 177.19 2jfb h ALA 39 N 0.76 0.36 -0.89 3.60 0.00 -0.68 -1.10 119.26 121.31 2jfb h ALA 39 Ca 0.07 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2jfb h ALA 39 Cb 0.64 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2jfb h ALA 39 CO 0.04 -0.09 0.58 0.28 0.00 0.00 0.00 179.25 180.07 2jfb h VAL 40 N 0.32 1.17 -0.45 0.00 2.07 -0.83 -0.34 116.25 118.20 2jfb h VAL 40 Ca 0.10 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 2jfb h VAL 40 Cb 0.10 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 2jfb h VAL 40 CO -0.01 0.21 0.12 0.50 0.02 0.00 0.00 177.57 178.40 2jfb h LYS 41 N 1.15 0.71 -0.34 1.57 3.64 -0.68 -2.63 116.57 119.99 2jfb h LYS 41 Ca 0.35 -0.17 -0.16 0.00 -1.27 0.00 0.00 60.65 59.40 2jfb h LYS 41 Cb -0.04 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 2jfb h LYS 41 CO -0.10 0.71 -0.43 -0.09 -2.27 0.00 0.00 179.45 177.26 2jfb h ARG 42 N 0.59 0.89 -0.43 1.90 9.65 -0.99 -2.91 114.38 123.09 2jfb h ARG 42 Ca 0.14 -0.51 0.08 0.00 -1.10 0.00 0.00 59.98 58.60 2jfb h ARG 42 Cb 0.31 0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.85 2jfb h ARG 42 CO 0.00 1.15 -0.03 -0.07 2.80 0.00 0.00 179.97 183.82 2jfb h LEU 43 N 0.70 -0.24 -1.41 3.80 4.07 -1.00 -1.94 115.31 119.28 2jfb h LEU 43 Ca 0.04 0.11 -0.06 0.00 0.08 0.00 0.00 57.88 58.05 2jfb h LEU 43 Cb 1.03 0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.97 2jfb h LEU 43 CO 0.10 -0.08 -0.28 1.56 -1.08 0.00 0.00 178.44 178.66 2jfb h GLN 44 N 0.08 0.00 0.00 1.13 4.20 -1.46 -2.11 115.11 116.95 2jfb h GLN 44 Ca 0.21 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.87 2jfb h GLN 44 Cb 0.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2jfb h GLN 44 CO -0.38 0.28 -0.24 0.93 -0.67 0.00 0.00 178.83 178.75 2jfb h GLU 45 N 0.00 0.00 -0.03 1.46 5.08 -1.16 -2.69 114.58 117.24 2jfb h GLU 45 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jfb h GLU 45 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2jfb h GLU 45 CO 0.04 0.24 0.00 1.19 -1.00 0.00 0.00 179.01 179.48 2jfb n PHE 46 N -3.47 0.02 0.00 4.33 3.01 -0.85 -4.94 117.46 115.56 2jfb n PHE 46 Ca -0.00 -0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2jfb n PHE 46 Cb 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 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 1.20 0.42 3.72 1.37 0.00 -1.01 -1.19 105.19 109.70 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 -2.00 2.62 0.44 1.61 1.01 -0.87 -3.70 120.40 119.52 2jfb s VAL 48 Ca 0.00 0.46 -0.19 0.00 0.00 0.00 0.00 61.98 62.25 2jfb s VAL 48 Cb 0.00 -3.29 -0.10 0.00 0.00 0.00 0.00 36.38 32.99 2jfb s VAL 48 CO 0.00 0.04 0.94 -0.54 0.00 0.00 0.00 175.10 175.54 2jfb s LYS 49 N 0.89 4.13 0.38 2.72 1.02 -1.26 -4.00 119.74 123.61 2jfb s LYS 49 Ca 0.68 1.03 0.10 0.00 0.02 0.00 0.00 55.97 57.80 2jfb s LYS 49 Cb -0.43 -2.19 0.86 0.00 -0.52 0.00 0.00 37.83 35.54 2jfb s LYS 49 CO 0.33 -0.08 1.93 0.93 -0.92 0.00 0.00 175.35 177.54 2jfb h GLU 50 N 1.65 0.61 0.00 1.68 5.08 -1.94 -0.18 114.58 121.49 2jfb h GLU 50 Ca -0.48 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 57.81 2jfb h GLU 50 Cb 1.18 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 2jfb h GLU 50 CO 0.62 0.40 -0.15 1.05 -1.00 0.00 0.00 179.01 179.92 2jfb h GLU 51 N 0.63 0.00 -0.67 2.33 4.11 -2.01 -3.11 114.58 115.86 2jfb h GLU 51 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.78 2jfb h GLU 51 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2jfb h GLU 51 CO -0.13 0.15 0.00 0.09 0.07 0.00 0.00 179.01 179.19 2jfb n ASN 52 N -3.43 3.85 -4.32 3.06 3.02 -0.10 -4.80 115.26 112.53 2jfb n ASN 52 Ca -0.01 -2.00 -0.37 0.00 -0.03 0.00 0.00 54.58 52.17 2jfb n ASN 52 Cb 0.33 -0.45 -0.13 0.00 -0.61 0.00 0.00 39.78 38.93 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 -1.06 3.90 -0.30 2.41 1.01 -1.07 -1.43 121.20 124.66 2jfb s ILE 53 Ca 0.46 -0.83 -0.06 0.00 0.00 0.00 0.00 60.65 60.22 2jfb s ILE 53 Cb 0.25 -3.07 0.02 0.00 0.01 0.00 0.00 42.46 39.66 2jfb s ILE 53 CO 0.32 -0.00 0.07 -0.63 0.00 0.00 0.00 174.94 174.70 2jfb s ILE 54 N 1.47 3.82 -0.18 2.92 -1.09 -0.57 -4.99 121.20 122.58 2jfb s ILE 54 Ca 0.01 -0.80 -0.10 0.00 -2.23 0.00 0.00 60.65 57.53 2jfb s ILE 54 Cb -0.18 -3.00 -0.05 0.00 -1.58 0.00 0.00 42.46 37.65 2jfb s ILE 54 CO 0.02 0.05 0.17 -0.63 -1.23 0.00 0.00 174.94 173.32 2jfb s ILE 55 N 1.47 5.40 0.05 2.92 -1.09 -1.26 -0.07 121.20 128.61 2jfb s ILE 55 Ca 0.02 0.27 -0.02 0.00 -2.23 0.00 0.00 60.65 58.69 2jfb s ILE 55 Cb -0.17 -3.50 -0.03 0.00 -1.58 0.00 0.00 42.46 37.18 2jfb s ILE 55 CO 0.02 0.46 0.01 -0.70 -1.23 0.00 0.00 174.94 173.49 2jfb s GLU 56 N 0.16 0.61 0.17 2.79 2.56 0.51 -4.97 118.70 120.53 2jfb s GLU 56 Ca 0.11 -1.09 0.10 0.00 0.00 0.00 0.00 54.97 54.08 2jfb s GLU 56 Cb -0.12 0.22 -0.04 0.00 2.00 0.00 0.00 34.13 36.19 2jfb s GLU 56 CO 0.00 -0.13 -0.22 0.95 -0.56 0.00 0.00 175.26 175.31 2jfb s THR 57 N -3.58 2.08 0.12 -1.70 -4.23 -1.26 -1.43 115.64 105.64 2jfb s THR 57 Ca 0.04 -1.93 0.03 0.00 -1.18 0.00 0.00 61.69 58.65 2jfb s THR 57 Cb 0.05 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.90 2jfb s THR 57 CO -0.09 -0.18 -0.09 0.68 -0.54 0.00 0.00 174.62 174.40 2jfb s VAL 58 N -1.74 0.98 0.11 2.29 -7.23 -0.40 -4.91 120.40 109.49 2jfb s VAL 58 Ca 0.17 -1.94 -0.24 0.00 -1.81 0.00 0.00 61.98 58.16 2jfb s VAL 58 Cb -0.07 -1.70 -0.09 0.00 0.56 0.00 0.00 36.38 35.07 2jfb s VAL 58 CO 0.08 -0.75 1.68 -0.65 -0.31 0.00 0.00 175.10 175.15 2jfb h PRO 59 N 2.99 -0.25 0.00 4.82 0.11 -1.94 -2.48 132.00 135.25 2jfb h PRO 59 Ca -0.36 0.02 -0.32 0.00 0.11 0.00 0.00 66.00 65.45 2jfb h PRO 59 Cb 1.18 0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.27 2jfb h PRO 59 CO 0.62 -0.17 -0.27 0.41 -0.21 0.00 0.00 178.00 178.38 2jfb n GLY 60 N -1.27 2.84 0.20 -0.55 0.00 -1.26 -2.49 105.19 102.66 2jfb n GLY 60 Ca -0.06 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 1.59 0.13 0.44 1.61 0.02 -1.93 -2.74 113.55 112.66 2jfb h SER 61 Ca -0.20 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.68 2jfb h SER 61 Cb 0.94 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 2jfb h SER 61 CO 0.28 0.49 -0.14 0.15 -1.14 0.00 0.00 176.83 176.47 2jfb h PHE 62 N 0.11 0.00 -0.00 3.45 3.57 -1.97 -2.36 116.94 119.74 2jfb h PHE 62 Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2jfb h PHE 62 Cb 0.70 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.44 2jfb h PHE 62 CO 0.01 0.14 -0.24 0.39 -2.23 0.00 0.00 178.31 176.37 2jfb n GLU 63 N -3.62 0.30 -0.09 1.11 4.71 -1.04 -4.32 120.64 117.69 2jfb n GLU 63 Ca -0.02 -0.13 -0.09 0.00 -0.01 0.00 0.00 57.16 56.92 2jfb n GLU 63 Cb 0.27 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.18 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 0.31 0.38 0.16 -4.62 3.38 -1.49 0.38 115.31 113.81 2jfb h LEU 64 Ca 0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2jfb h LEU 64 Cb 0.46 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2jfb h LEU 64 CO 0.00 0.35 -0.08 -0.65 0.09 0.00 0.00 178.44 178.15 2jfb h PRO 65 N 0.38 -0.21 -0.12 1.13 0.11 -1.78 -0.91 132.00 130.59 2jfb h PRO 65 Ca 0.11 0.01 -0.21 0.00 0.11 0.00 0.00 66.00 66.02 2jfb h PRO 65 Cb 0.05 0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.22 2jfb h PRO 65 CO -0.02 -0.11 -0.77 -0.92 -0.21 0.00 0.00 178.00 175.97 2jfb h TYR 66 N -0.26 0.89 -0.86 0.65 3.20 -1.83 -2.98 116.97 115.77 2jfb h TYR 66 Ca -0.02 -0.40 0.11 0.00 3.14 0.00 0.00 58.73 61.56 2jfb h TYR 66 Cb 0.20 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.28 2jfb h TYR 66 CO -0.05 1.21 0.56 0.78 -1.64 0.00 0.00 178.16 179.01 2jfb h GLY 67 N 0.81 1.19 0.99 1.82 0.00 -0.92 -0.79 103.07 106.17 2jfb h GLY 67 Ca -0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 2jfb h GLY 67 CO 0.15 0.16 0.24 1.76 0.00 0.00 0.00 176.54 178.86 2jfb h SER 68 N 0.78 0.81 -0.05 0.19 0.02 -1.02 0.15 113.55 114.43 2jfb h SER 68 Ca 0.41 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2jfb h SER 68 Cb 0.50 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 2jfb h SER 68 CO -0.17 0.75 0.02 0.50 -1.14 0.00 0.00 176.83 176.79 2jfb h LYS 69 N 0.81 0.07 -0.76 3.45 3.64 -1.17 0.18 116.57 122.79 2jfb h LYS 69 Ca 0.20 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.61 2jfb h LYS 69 Cb 0.19 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 2jfb h LYS 69 CO -0.02 0.19 0.46 -0.07 -2.27 0.00 0.00 179.45 177.74 2jfb h LEU 70 N -0.07 0.74 -0.23 5.20 3.38 -1.04 -0.81 115.31 122.48 2jfb h LEU 70 Ca 0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2jfb h LEU 70 Cb 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2jfb h LEU 70 CO -0.00 0.49 0.13 0.15 0.09 0.00 0.00 178.44 179.30 2jfb h PHE 71 N 0.87 0.31 -0.33 1.13 3.57 -0.50 -1.41 116.94 120.58 2jfb h PHE 71 Ca 0.32 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 2jfb h PHE 71 Cb 0.11 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2jfb h PHE 71 CO -0.05 0.26 0.17 0.28 -2.23 0.00 0.00 178.31 176.74 2jfb h VAL 72 N 0.27 1.15 -0.50 1.41 2.07 -0.59 -2.09 116.25 117.97 2jfb h VAL 72 Ca 0.08 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 2jfb h VAL 72 Cb 0.05 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2jfb h VAL 72 CO -0.01 0.16 0.04 -0.33 0.02 0.00 0.00 177.57 177.44 2jfb h GLU 73 N 0.40 0.81 -0.49 1.57 4.39 -1.10 -1.72 114.58 118.45 2jfb h GLU 73 Ca 0.11 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 2jfb h GLU 73 Cb 0.10 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2jfb h GLU 73 CO -0.02 0.80 0.13 -0.22 -1.16 0.00 0.00 179.01 178.54 2jfb h LYS 74 N 0.77 0.78 -0.10 2.33 3.64 -1.14 -1.29 116.57 121.56 2jfb h LYS 74 Ca 0.15 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 2jfb h LYS 74 Cb 0.41 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2jfb h LYS 74 CO 0.01 0.75 -0.17 1.96 -2.27 0.00 0.00 179.45 179.74 2jfb h GLN 75 N 0.67 0.16 -0.17 1.90 1.08 -1.09 -0.87 115.11 116.79 2jfb h GLN 75 Ca 0.16 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.27 2jfb h GLN 75 Cb 0.31 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2jfb h GLN 75 CO -0.00 0.33 -0.06 0.87 -0.95 0.00 0.00 178.83 179.02 2jfb h LYS 76 N 0.15 0.35 -0.17 1.46 1.57 -0.99 0.15 116.57 119.10 2jfb h LYS 76 Ca 0.03 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 2jfb h LYS 76 Cb 0.39 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2jfb h LYS 76 CO 0.02 0.64 0.03 0.00 -0.57 0.00 0.00 179.45 179.58 2jfb h ARG 77 N 0.04 0.23 0.00 3.15 3.08 -0.88 -0.69 114.38 119.31 2jfb h ARG 77 Ca 0.04 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 2jfb h ARG 77 Cb 0.52 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2jfb h ARG 77 CO 0.02 0.23 -0.18 -0.07 -1.07 0.00 0.00 179.97 178.90 2jfb h LEU 78 N 0.23 0.00 0.00 3.04 4.07 -1.12 -3.47 115.31 118.06 2jfb h LEU 78 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 2jfb h LEU 78 Cb 0.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 2jfb h LEU 78 CO -0.00 0.18 0.00 0.61 -1.08 0.00 0.00 178.44 178.15 2jfb n GLY 79 N 0.47 0.54 2.49 0.83 0.00 -0.27 -5.00 105.19 104.25 2jfb n GLY 79 Ca 0.01 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.77 2.09 -2.23 1.61 4.76 0.49 -5.01 118.16 117.11 2jfb n LYS 80 Ca 0.00 -4.41 -0.35 0.00 -2.87 0.00 0.00 58.31 50.67 2jfb n LYS 80 Cb 0.00 -2.12 0.00 0.00 -1.84 0.00 0.00 35.03 31.07 2jfb n LYS 80 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 2jfb s PRO 81 N -2.03 3.36 -0.06 1.97 0.02 -1.20 -4.49 135.00 132.56 2jfb s PRO 81 Ca 0.36 1.67 -0.21 0.00 0.02 0.00 0.00 61.00 62.83 2jfb s PRO 81 Cb 0.11 -2.05 -0.04 0.00 0.02 0.00 0.00 34.50 32.53 2jfb s PRO 81 CO -0.06 -0.85 0.62 -0.51 -0.33 0.00 0.00 177.00 175.87 2jfb s LEU 82 N -3.72 4.33 0.27 -5.54 1.43 -1.26 -4.68 118.68 109.51 2jfb s LEU 82 Ca 0.72 1.10 0.18 0.00 -1.03 0.00 0.00 54.13 55.09 2jfb s LEU 82 Cb -0.26 -2.95 0.08 0.00 0.03 0.00 0.00 46.19 43.10 2jfb s LEU 82 CO 0.29 -0.03 1.34 0.44 0.23 0.00 0.00 176.35 178.62 2jfb h ASP 83 N 6.44 0.00 -5.00 2.29 3.32 -1.10 -3.47 116.42 118.89 2jfb h ASP 83 Ca -0.42 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.60 2jfb h ASP 83 Cb 1.19 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.61 2jfb h ASP 83 CO 0.74 0.37 0.18 0.00 -1.72 0.00 0.00 179.24 178.81 2jfb s ALA 84 N -3.04 -1.58 -0.00 3.45 0.00 -1.23 -4.22 121.76 115.13 2jfb s ALA 84 Ca 0.03 0.63 0.03 0.00 0.00 0.00 0.00 51.96 52.65 2jfb s ALA 84 Cb 0.07 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 2jfb s ALA 84 CO 0.74 -0.67 -0.10 -1.50 0.00 0.00 0.00 175.76 174.23 2jfb s ILE 85 N -3.18 0.78 -0.52 0.00 2.07 -0.84 -1.56 121.20 117.95 2jfb s ILE 85 Ca -0.02 -0.46 0.04 0.00 -1.41 0.00 0.00 60.65 58.80 2jfb s ILE 85 Cb -0.01 -0.66 0.13 0.00 0.13 0.00 0.00 42.46 42.05 2jfb s ILE 85 CO -0.08 0.20 0.26 -0.63 -1.91 0.00 0.00 174.94 172.78 2jfb s ILE 86 N -0.28 2.64 -0.07 2.00 1.01 0.93 -1.23 121.20 126.20 2jfb s ILE 86 Ca 0.03 -3.25 -0.30 0.00 0.00 0.00 0.00 60.65 57.13 2jfb s ILE 86 Cb -0.04 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 2jfb s ILE 86 CO -0.00 -0.79 1.53 -2.16 0.00 0.00 0.00 174.94 173.52 2jfb s PRO 87 N -0.22 4.21 -0.12 2.79 0.04 -1.24 -2.01 135.00 138.44 2jfb s PRO 87 Ca 0.17 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.27 2jfb s PRO 87 Cb -0.25 -3.87 -0.01 0.00 0.04 0.00 0.00 34.50 30.41 2jfb s PRO 87 CO -0.01 -0.78 -0.19 0.42 0.04 0.00 0.00 177.00 176.49 2jfb s ILE 88 N 3.67 2.53 0.02 0.56 1.01 0.13 -2.07 121.20 127.05 2jfb s ILE 88 Ca 0.68 -0.85 -0.14 0.00 0.00 0.00 0.00 60.65 60.34 2jfb s ILE 88 Cb -0.31 -2.02 0.02 0.00 0.01 0.00 0.00 42.46 40.17 2jfb s ILE 88 CO 0.26 0.54 0.31 -0.83 0.00 0.00 0.00 174.94 175.22 2jfb s GLY 89 N 0.38 -0.14 -0.19 6.18 0.00 -0.90 -0.72 107.32 111.93 2jfb s GLY 89 Ca -0.14 0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.75 2jfb s GLY 89 CO 0.07 -0.05 -0.10 0.14 0.00 0.00 0.00 173.10 173.15 2jfb s VAL 90 N -1.99 1.58 -0.20 1.40 1.01 -1.26 -0.73 120.40 120.20 2jfb s VAL 90 Ca -0.09 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 2jfb s VAL 90 Cb -0.03 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.73 2jfb s VAL 90 CO 0.00 0.21 -0.14 -0.76 0.00 0.00 0.00 175.10 174.41 2jfb s LEU 91 N 1.43 2.52 -0.13 3.92 1.43 0.28 -4.82 118.68 123.32 2jfb s LEU 91 Ca -0.00 -0.67 -0.03 0.00 -1.03 0.00 0.00 54.13 52.40 2jfb s LEU 91 Cb -0.16 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 2jfb s LEU 91 CO -0.09 -0.03 -0.03 -0.63 0.23 0.00 0.00 176.35 175.80 2jfb s ILE 92 N 1.32 4.02 0.04 -0.59 -1.09 -1.26 -1.07 121.20 122.57 2jfb s ILE 92 Ca 0.04 -0.33 -0.30 0.00 -2.23 0.00 0.00 60.65 57.82 2jfb s ILE 92 Cb -0.14 -2.73 -0.09 0.00 -1.58 0.00 0.00 42.46 37.92 2jfb s ILE 92 CO -0.09 0.53 1.90 -0.75 -1.23 0.00 0.00 174.94 175.30 2jfb s LYS 93 N -0.12 4.15 0.00 2.79 2.47 0.29 -4.81 119.74 124.51 2jfb s LYS 93 Ca 0.03 2.55 0.00 0.00 -1.56 0.00 0.00 55.97 56.99 2jfb s LYS 93 Cb -0.13 -4.03 0.00 0.00 -1.46 0.00 0.00 37.83 32.21 2jfb s LYS 93 CO 0.02 -0.92 0.00 0.41 0.16 0.00 0.00 175.35 175.03 2jfb n GLY 94 N 4.43 2.21 0.14 5.54 0.00 -1.26 -4.83 105.19 111.42 2jfb n GLY 94 Ca 0.19 -1.95 0.06 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.57 1.61 0.02 -2.01 -3.47 113.55 109.13 2jfb h SER 95 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 2jfb h SER 95 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2jfb h SER 95 CO 0.00 0.32 -0.19 0.42 -1.14 0.00 0.00 176.83 176.24 2jfb s THR 96 N -3.08 1.77 -2.04 -2.27 -4.23 -1.26 -5.01 115.64 99.52 2jfb s THR 96 Ca 0.02 -1.27 0.10 0.00 -1.18 0.00 0.00 61.69 59.36 2jfb s THR 96 Cb 0.08 -2.04 0.28 0.00 1.34 0.00 0.00 72.50 72.15 2jfb s THR 96 CO 0.75 0.00 1.34 0.23 -0.54 0.00 0.00 174.62 176.40 2jfb n MET 97 N -2.02 1.24 -0.03 3.99 0.00 -1.26 -4.19 117.12 114.85 2jfb n MET 97 Ca 0.06 -0.37 -0.09 0.00 0.00 0.00 0.00 57.70 57.31 2jfb n MET 97 Cb 0.63 -1.19 -0.03 0.00 0.00 0.00 0.00 33.22 32.64 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 0.65 -0.72 -0.65 2.03 -0.00 -1.96 -2.47 115.15 112.04 2jfb h HIS 98 Ca 0.00 0.04 0.11 0.00 -0.00 0.00 0.00 60.37 60.51 2jfb h HIS 98 Cb 0.15 0.35 -0.12 0.00 -0.00 0.00 0.00 27.41 27.78 2jfb h HIS 98 CO 0.05 -0.34 -0.37 0.35 -0.00 0.00 0.00 177.93 177.62 2jfb h PHE 99 N -0.30 -1.04 0.02 5.26 3.57 -1.88 -1.56 116.94 121.01 2jfb h PHE 99 Ca 0.12 0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.71 2jfb h PHE 99 Cb 0.49 0.55 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 2jfb h PHE 99 CO -0.39 -0.40 -0.07 0.93 -2.23 0.00 0.00 178.31 176.15 2jfb h GLU 100 N -0.15 -0.14 0.00 1.11 3.07 -1.75 -1.05 114.58 115.67 2jfb h GLU 100 Ca 0.23 0.01 -0.16 0.00 -0.50 0.00 0.00 59.36 58.94 2jfb h GLU 100 Cb 0.56 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 2jfb h GLU 100 CO -0.73 -0.09 -0.78 1.88 -1.40 0.00 0.00 179.01 177.89 2jfb h TYR 101 N -0.14 0.00 -0.17 4.33 0.05 -1.33 -1.72 116.97 117.99 2jfb h TYR 101 Ca 0.02 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.73 2jfb h TYR 101 Cb 0.17 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.90 2jfb h TYR 101 CO -0.13 0.78 -0.17 0.82 -1.05 0.00 0.00 178.16 178.41 2jfb h ILE 102 N 0.00 1.34 -0.03 -2.88 1.08 -1.23 -2.73 117.51 113.06 2jfb h ILE 102 Ca -0.01 -1.33 0.01 0.00 -0.39 0.00 0.00 64.86 63.13 2jfb h ILE 102 Cb 1.41 1.83 -0.01 0.00 -3.07 0.00 0.00 36.82 36.98 2jfb h ILE 102 CO 0.10 0.40 -0.00 0.00 -0.69 0.00 0.00 178.15 177.96 2jfb h ASP 104 N 0.01 -0.13 -0.31 0.00 3.58 -1.37 -0.76 116.42 117.45 2jfb h ASP 104 Ca 0.02 -0.02 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 2jfb h ASP 104 Cb 0.02 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 2jfb h ASP 104 CO -0.03 -0.07 -0.44 0.77 -2.88 0.00 0.00 179.24 176.59 2jfb h SER 105 N -0.18 0.92 -0.50 2.28 4.64 -1.54 -2.62 113.55 116.56 2jfb h SER 105 Ca -0.02 -0.51 -0.01 0.00 -0.47 0.00 0.00 61.79 60.79 2jfb h SER 105 Cb 0.14 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 2jfb h SER 105 CO 0.03 1.24 0.27 0.74 -0.87 0.00 0.00 176.83 178.24 2jfb h THR 106 N 0.62 1.18 -0.44 2.95 2.02 -1.29 -2.16 112.91 115.80 2jfb h THR 106 Ca 0.03 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 2jfb h THR 106 Cb 1.04 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 2jfb h THR 106 CO 0.10 0.20 0.22 0.74 0.37 0.00 0.00 175.52 177.15 2jfb h THR 107 N 0.67 1.17 -0.47 3.16 2.02 -1.11 -1.33 112.91 117.03 2jfb h THR 107 Ca 0.18 -0.47 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 2jfb h THR 107 Cb 0.07 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2jfb h THR 107 CO -0.03 0.18 0.12 0.45 0.37 0.00 0.00 175.52 176.62 2jfb h HIS 108 N 0.57 0.78 -0.11 3.16 3.86 -1.36 -1.71 115.15 120.34 2jfb h HIS 108 Ca 0.15 -0.09 -0.17 0.00 -1.16 0.00 0.00 60.37 59.10 2jfb h HIS 108 Cb 0.09 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 2jfb h HIS 108 CO -0.02 0.71 -0.64 1.96 0.86 0.00 0.00 177.93 180.80 2jfb h GLN 109 N 0.63 0.42 -0.24 2.45 1.08 -1.30 -0.82 115.11 117.33 2jfb h GLN 109 Ca 0.15 -0.30 -0.08 0.00 -1.45 0.00 0.00 58.65 56.96 2jfb h GLN 109 Cb 0.31 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 2jfb h GLN 109 CO 0.00 0.92 -0.22 -0.07 -0.95 0.00 0.00 178.83 178.52 2jfb h LEU 110 N 0.31 0.44 -0.17 1.46 3.38 -1.21 0.91 115.31 120.42 2jfb h LEU 110 Ca -0.01 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2jfb h LEU 110 Cb 1.19 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2jfb h LEU 110 CO 0.11 0.66 -0.02 -0.03 0.09 0.00 0.00 178.44 179.25 2jfb h MET 111 N 0.40 0.32 0.00 1.13 4.05 -1.09 -3.11 114.93 116.62 2jfb h MET 111 Ca 0.06 -0.11 -0.07 0.00 -0.28 0.00 0.00 59.70 59.31 2jfb h MET 111 Cb 0.60 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 2jfb h MET 111 CO 0.04 0.56 -0.31 0.87 0.23 0.00 0.00 176.91 178.30 2jfb h LYS 112 N 0.04 0.00 0.00 0.39 1.57 -1.00 -3.10 116.57 114.48 2jfb h LYS 112 Ca 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2jfb h LYS 112 Cb 0.43 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 2jfb h LYS 112 CO 0.01 0.31 -0.03 1.25 -0.57 0.00 0.00 179.45 180.43 2jfb h LEU 113 N 0.00 0.00 -0.74 2.94 5.85 -0.74 -1.60 115.31 121.02 2jfb h LEU 113 Ca -0.00 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.85 2jfb h LEU 113 Cb 0.67 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.61 2jfb h LEU 113 CO 0.04 0.03 0.30 0.78 -0.34 0.00 0.00 178.44 179.25 2jfb h ASN 114 N 0.00 0.30 1.01 1.25 2.35 -1.61 -0.96 115.58 117.92 2jfb h ASN 114 Ca -0.00 0.10 -0.15 0.00 -0.55 0.00 0.00 56.30 55.70 2jfb h ASN 114 Cb 0.05 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 2jfb h ASN 114 CO 0.00 0.12 -1.06 -0.26 -1.65 0.00 0.00 177.43 174.59 2jfb h PHE 115 N 0.46 0.00 0.13 1.19 -1.00 -1.52 -2.82 116.94 113.38 2jfb h PHE 115 Ca 0.40 0.00 -0.30 0.00 2.81 0.00 0.00 57.97 60.89 2jfb h PHE 115 Cb 0.59 0.00 0.03 0.00 3.61 0.00 0.00 35.95 40.18 2jfb h PHE 115 CO -0.16 0.59 -1.25 0.93 -1.61 0.00 0.00 178.31 176.82 2jfb h GLU 116 N 0.00 0.57 0.00 1.51 4.39 -1.23 -3.33 114.58 116.49 2jfb h GLU 116 Ca -0.10 -0.79 -0.05 0.00 0.34 0.00 0.00 59.36 58.76 2jfb h GLU 116 Cb 1.54 0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 30.44 2jfb h GLU 116 CO 0.06 1.35 -1.05 -0.07 -1.16 0.00 0.00 179.01 178.15 2jfb h LEU 117 N 0.25 0.00 0.04 1.33 3.38 -1.32 -3.48 115.31 115.51 2jfb h LEU 117 Ca -0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2jfb h LEU 117 Cb 1.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 2jfb h LEU 117 CO 0.23 0.19 -0.02 0.61 0.09 0.00 0.00 178.44 179.55 2jfb n GLY 118 N 1.24 0.47 3.21 0.83 0.00 -1.06 -5.03 105.19 104.84 2jfb n GLY 118 Ca -0.03 -0.20 -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 -1.89 1.22 0.13 -0.61 -4.36 -1.23 -5.05 121.20 109.41 2jfb s ILE 119 Ca 0.00 -1.50 -0.32 0.00 -0.26 0.00 0.00 60.65 58.57 2jfb s ILE 119 Cb 0.00 -1.30 -0.11 0.00 1.25 0.00 0.00 42.46 42.30 2jfb s ILE 119 CO 0.00 -0.31 1.81 -0.81 0.24 0.00 0.00 174.94 175.87 2jfb n PRO 120 N 0.93 2.73 -3.72 0.37 -0.04 -1.26 -4.45 135.00 129.57 2jfb n PRO 120 Ca -0.19 0.99 -0.38 0.00 -0.04 0.00 0.00 63.50 63.88 2jfb n PRO 120 Cb 0.55 -2.87 -0.12 0.00 -0.04 0.00 0.00 33.50 31.02 2jfb n PRO 120 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jfb s VAL 121 N 2.47 3.93 -0.15 0.52 1.01 -1.26 -1.99 120.40 124.93 2jfb s VAL 121 Ca 0.81 -1.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.43 2jfb s VAL 121 Cb -0.51 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 2jfb s VAL 121 CO 0.37 -0.22 0.77 -0.63 0.00 0.00 0.00 175.10 175.39 2jfb s ILE 122 N 1.42 4.94 -0.55 2.22 -1.09 -0.37 -4.90 121.20 122.88 2jfb s ILE 122 Ca -0.01 1.53 -0.27 0.00 -2.23 0.00 0.00 60.65 59.67 2jfb s ILE 122 Cb -0.20 -4.09 -0.01 0.00 -1.58 0.00 0.00 42.46 36.59 2jfb s ILE 122 CO 0.03 0.09 1.69 0.12 -1.23 0.00 0.00 174.94 175.65 2jfb s PHE 123 N 1.78 1.90 -0.28 3.97 5.36 -1.26 -3.68 117.98 125.77 2jfb s PHE 123 Ca 0.37 0.63 0.09 0.00 -0.96 0.00 0.00 56.93 57.06 2jfb s PHE 123 Cb -0.17 -4.21 0.48 0.00 -0.34 0.00 0.00 43.02 38.78 2jfb s PHE 123 CO 0.14 -2.32 1.39 0.41 -1.46 0.00 0.00 175.22 173.37 2jfb n GLY 124 N 5.50 5.15 3.64 13.12 0.00 -0.88 -4.99 105.19 126.73 2jfb n GLY 124 Ca 0.18 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.43 5.13 -0.13 1.61 1.01 -1.25 -2.12 120.40 121.21 2jfb s VAL 125 Ca 0.44 0.09 -0.16 0.00 0.00 0.00 0.00 61.98 62.36 2jfb s VAL 125 Cb 0.40 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2jfb s VAL 125 CO -0.02 0.39 0.39 -0.76 0.00 0.00 0.00 175.10 175.10 2jfb s LEU 126 N 0.85 4.27 -0.60 3.92 1.43 0.09 -4.94 118.68 123.70 2jfb s LEU 126 Ca 0.06 0.69 0.03 0.00 -1.03 0.00 0.00 54.13 53.88 2jfb s LEU 126 Cb -0.13 -2.54 0.15 0.00 0.03 0.00 0.00 46.19 43.69 2jfb s LEU 126 CO 0.03 0.07 0.36 0.42 0.23 0.00 0.00 176.35 177.45 2jfb s THR 127 N 0.44 2.89 0.11 5.49 -4.23 -1.26 -0.56 115.64 118.52 2jfb s THR 127 Ca 0.22 -3.54 0.06 0.00 -1.18 0.00 0.00 61.69 57.24 2jfb s THR 127 Cb -0.14 -2.95 -0.04 0.00 1.34 0.00 0.00 72.50 70.71 2jfb s THR 127 CO 0.08 -0.87 -0.02 0.00 -0.54 0.00 0.00 174.62 173.26 2jfb h LEU 129 N 3.33 0.71 -9.02 0.00 3.38 -1.92 0.85 115.31 112.65 2jfb h LEU 129 Ca -0.48 -0.70 -0.47 0.00 0.09 0.00 0.00 57.88 56.32 2jfb h LEU 129 Cb 1.17 -0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.55 2jfb h LEU 129 CO 0.58 1.52 -0.70 0.42 0.09 0.00 0.00 178.44 180.35 2jfb s THR 130 N -2.83 1.70 0.12 0.22 -4.23 -1.26 -3.84 115.64 105.53 2jfb s THR 130 Ca -0.07 -2.17 0.30 0.00 -1.18 0.00 0.00 61.69 58.56 2jfb s THR 130 Cb 0.06 -2.26 0.33 0.00 1.34 0.00 0.00 72.50 71.98 2jfb s THR 130 CO 0.92 -0.44 1.93 0.44 -0.54 0.00 0.00 174.62 176.93 2jfb h ASP 131 N 2.41 0.00 -0.27 3.99 3.32 -1.95 -3.08 116.42 120.84 2jfb h ASP 131 Ca -0.39 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.50 2jfb h ASP 131 Cb 1.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 2jfb h ASP 131 CO 0.64 0.08 -0.45 -0.33 -1.72 0.00 0.00 179.24 177.47 2jfb h GLU 132 N 0.00 0.84 -0.48 3.56 4.39 -2.00 -2.70 114.58 118.19 2jfb h GLU 132 Ca -0.00 -0.47 -0.08 0.00 0.34 0.00 0.00 59.36 59.15 2jfb h GLU 132 Cb 0.58 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 2jfb h GLU 132 CO 0.01 1.11 -0.03 1.96 -1.16 0.00 0.00 179.01 180.90 2jfb h GLN 133 N 0.67 0.81 -0.11 2.33 4.20 -1.97 -2.41 115.11 118.64 2jfb h GLN 133 Ca 0.04 -0.23 -0.16 0.00 0.06 0.00 0.00 58.65 58.35 2jfb h GLN 133 Cb 1.03 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 2jfb h GLN 133 CO 0.10 0.84 -0.62 0.00 -0.67 0.00 0.00 178.83 178.47 2jfb h ALA 134 N 1.21 0.72 -0.23 3.87 0.00 -1.61 -2.49 119.26 120.74 2jfb h ALA 134 Ca 0.14 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2jfb h ALA 134 Cb 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2jfb h ALA 134 CO 0.02 0.72 0.06 0.93 0.00 0.00 0.00 179.25 180.99 2jfb h GLU 135 N 0.29 0.36 -0.61 0.00 5.08 -1.30 -2.50 114.58 115.89 2jfb h GLU 135 Ca -0.01 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 2jfb h GLU 135 Cb 1.16 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 2jfb h GLU 135 CO 0.11 0.46 0.05 0.00 -1.00 0.00 0.00 179.01 178.63 2jfb h ALA 136 N 0.88 0.95 0.00 3.43 0.00 -1.46 -2.25 119.26 120.80 2jfb h ALA 136 Ca 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2jfb h ALA 136 Cb 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2jfb h ALA 136 CO -0.00 0.65 0.00 0.54 0.00 0.00 0.00 179.25 180.44 2jfb n ARG 137 N -4.20 0.38 -0.03 0.00 1.74 -0.94 -1.44 116.66 112.16 2jfb n ARG 137 Ca 0.04 0.06 0.11 0.00 -0.77 0.00 0.00 57.85 57.29 2jfb n ARG 137 Cb 0.31 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.36 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 -1.26 2.45 -1.86 7.54 0.00 -0.89 -1.29 120.51 125.20 2jfb n ALA 138 Ca 0.12 -0.73 -0.11 0.00 0.00 0.00 0.00 53.44 52.71 2jfb n ALA 138 Cb 0.18 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 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 1.31 0.44 0.05 0.00 0.00 -0.52 -4.50 105.19 101.97 2jfb n GLY 139 Ca 0.14 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.47 0.43 -4.17 0.99 4.77 -0.92 -4.75 117.00 111.88 2jfb n LEU 140 Ca -0.12 0.48 -0.33 0.00 -0.03 0.00 0.00 56.01 56.00 2jfb n LEU 140 Cb 0.51 -0.38 -0.16 0.00 -2.33 0.00 0.00 43.42 41.06 2jfb n LEU 140 CO 0.16 -0.07 -0.50 -0.51 -1.33 0.00 0.00 177.39 175.14 2jfb s ILE 141 N -3.05 2.37 0.00 -0.08 2.07 -1.26 -5.04 121.20 116.20 2jfb s ILE 141 Ca 0.12 -0.84 0.00 0.00 -1.41 0.00 0.00 60.65 58.52 2jfb s ILE 141 Cb 0.16 -2.01 0.00 0.00 0.13 0.00 0.00 42.46 40.74 2jfb s ILE 141 CO 0.58 0.52 0.00 -0.62 -1.91 0.00 0.00 174.94 173.51 2jfb n GLU 142 N 4.58 0.00 -2.63 3.50 1.02 -1.26 -2.64 120.64 123.21 2jfb n GLU 142 Ca -0.20 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.62 2jfb n GLU 142 Cb 0.50 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.92 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 0.00 5.82 3.36 0.62 0.00 -1.26 -5.00 105.19 108.72 2jfb n GLY 143 Ca 0.00 -2.70 -0.35 0.00 0.00 0.00 0.00 46.02 42.98 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 -3.78 3.45 5.94 1.61 2.20 -1.08 -5.02 119.74 123.07 2jfb s LYS 144 Ca 0.47 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 2jfb s LYS 144 Cb 0.31 -3.01 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 2jfb s LYS 144 CO -0.19 -0.11 0.00 -1.33 -0.36 0.00 0.00 175.35 173.36 2jfb n MET 145 N 4.56 0.00 -3.50 4.03 2.81 -1.26 -4.80 117.12 118.95 2jfb n MET 145 Ca -0.18 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.62 2jfb n MET 145 Cb 0.51 0.00 -0.02 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 -0.37 -0.42 2.03 -3.43 -1.26 -5.04 115.29 106.80 2jfb s HIS 146 Ca 0.00 0.21 -0.28 0.00 -0.80 0.00 0.00 55.06 54.19 2jfb s HIS 146 Cb 0.00 0.55 -0.00 0.00 -1.43 0.00 0.00 32.58 31.69 2jfb s HIS 146 CO 0.00 -0.61 1.60 1.21 -2.00 0.00 0.00 174.74 174.94 2jfb s ASN 147 N -2.55 6.05 0.61 7.38 2.47 -1.26 -4.02 114.94 123.62 2jfb s ASN 147 Ca 0.05 0.89 0.40 0.00 0.42 0.00 0.00 52.86 54.62 2jfb s ASN 147 Cb -0.01 -2.53 2.12 0.00 -1.45 0.00 0.00 41.25 39.38 2jfb s ASN 147 CO -0.09 -1.66 2.23 0.45 -3.72 0.00 0.00 177.10 174.31 2jfb h HIS 148 N 11.94 0.00 -0.97 0.43 3.86 -1.49 -2.35 115.15 126.57 2jfb h HIS 148 Ca -0.30 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 58.95 2jfb h HIS 148 Cb 1.13 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.55 2jfb h HIS 148 CO 0.98 0.00 0.63 0.78 0.86 0.00 0.00 177.93 181.18 2jfb h GLY 149 N 0.35 1.39 1.06 2.45 0.00 -1.80 -2.24 103.07 104.29 2jfb h GLY 149 Ca 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 2jfb h GLY 149 CO 0.00 0.43 0.42 0.83 0.00 0.00 0.00 176.54 178.22 2jfb h GLU 150 N 1.24 1.22 -0.81 4.80 5.08 -1.53 -1.19 114.58 123.38 2jfb h GLU 150 Ca 0.38 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2jfb h GLU 150 Cb -0.02 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 28.96 2jfb h GLU 150 CO -0.11 0.92 0.49 -0.44 -1.00 0.00 0.00 179.01 178.87 2jfb h ASP 151 N 1.21 0.97 -0.15 1.42 3.32 -1.54 -1.60 116.42 120.05 2jfb h ASP 151 Ca 0.29 -0.05 -0.22 0.00 0.02 0.00 0.00 57.03 57.07 2jfb h ASP 151 Cb 0.10 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.41 2jfb h ASP 151 CO -0.04 0.75 -0.76 -0.50 -1.72 0.00 0.00 179.24 176.97 2jfb h TRP 152 N 1.12 1.05 -0.34 4.55 6.55 -0.98 -0.78 115.95 127.12 2jfb h TRP 152 Ca 0.29 -0.46 0.02 0.00 0.95 0.00 0.00 58.89 59.69 2jfb h TRP 152 Cb -0.05 -0.16 -0.02 0.00 -0.86 0.00 0.00 29.16 28.07 2jfb h TRP 152 CO 0.00 1.30 0.18 0.78 -1.05 0.00 0.00 178.44 179.65 2jfb h GLY 153 N 0.50 0.46 1.01 1.49 0.00 -1.09 -1.45 103.07 103.99 2jfb h GLY 153 Ca -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2jfb h GLY 153 CO 0.16 0.11 0.42 0.00 0.00 0.00 0.00 176.54 177.23 2jfb h ALA 154 N 1.16 0.93 -0.76 3.60 0.00 -1.26 -2.89 119.26 120.04 2jfb h ALA 154 Ca 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2jfb h ALA 154 Cb 0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2jfb h ALA 154 CO -0.08 0.42 0.35 0.00 0.00 0.00 0.00 179.25 179.95 2jfb h ALA 155 N 1.22 0.99 -0.74 0.00 0.00 -0.86 -2.15 119.26 117.72 2jfb h ALA 155 Ca 0.26 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2jfb h ALA 155 Cb -0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 2jfb h ALA 155 CO -0.05 0.56 0.32 0.00 0.00 0.00 0.00 179.25 180.08 2jfb h ALA 156 N 1.18 1.17 -0.26 0.00 0.00 -1.13 -0.28 119.26 119.95 2jfb h ALA 156 Ca 0.26 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2jfb h ALA 156 Cb 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2jfb h ALA 156 CO -0.03 0.61 -0.12 0.28 0.00 0.00 0.00 179.25 179.99 2jfb h VAL 157 N 1.06 1.30 -0.06 0.00 2.07 -1.31 -2.97 116.25 116.33 2jfb h VAL 157 Ca 0.25 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 2jfb h VAL 157 Cb 0.17 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2jfb h VAL 157 CO -0.03 0.38 0.00 -0.08 0.02 0.00 0.00 177.57 177.86 2jfb h GLU 158 N 0.27 0.10 0.00 1.57 4.81 -1.18 -3.14 114.58 117.01 2jfb h GLU 158 Ca 0.06 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2jfb h GLU 158 Cb 0.63 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 2jfb h GLU 158 CO 0.04 0.36 -0.10 0.52 -0.73 0.00 0.00 179.01 179.10 2jfb h MET 159 N -0.18 0.00 -0.01 1.92 2.86 -1.13 -2.33 114.93 116.06 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 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2jfb h MET 159 CO 0.00 0.10 -0.22 0.00 1.06 0.00 0.00 176.91 177.86 2jfb n ALA 160 N -2.21 3.00 0.00 6.32 0.00 -1.12 -4.62 120.51 121.87 2jfb n ALA 160 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2jfb n ALA 160 Cb 0.27 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.06 0.00 0.65 0.00 -2.24 -1.07 -4.82 114.28 106.74 2jfb n THR 161 Ca 0.13 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.99 2jfb n THR 161 Cb 0.41 -0.40 0.37 0.00 -2.10 0.00 0.00 70.33 68.61 2jfb n THR 161 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2jfb n LYS 162 N -2.21 0.10 -0.08 -0.78 2.85 -0.90 -1.94 118.16 115.20 2jfb n LYS 162 Ca 0.00 0.18 0.04 0.00 -1.05 0.00 0.00 58.31 57.49 2jfb n LYS 162 Cb 0.32 -1.50 0.09 0.00 -0.65 0.00 0.00 35.03 33.29 2jfb n LYS 162 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2jfb n PHE 163 N -1.41 0.22 1.30 5.58 3.01 -1.26 -5.14 117.46 119.76 2jfb n PHE 163 Ca 0.06 -0.30 0.10 0.00 1.01 0.00 0.00 57.45 58.32 2jfb n PHE 163 Cb 0.16 -0.02 0.62 0.00 -0.01 0.00 0.00 39.48 40.23 2jfb n PHE 163 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86