#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 1.46 -0.41 5.64 1.51 -1.26 -5.12 117.35 119.17 2jfb s TYR 13 Ca 0.00 -0.28 -0.18 0.00 -1.01 0.00 0.00 57.07 55.60 2jfb s TYR 13 Cb 0.00 -0.93 0.02 0.00 -0.11 0.00 0.00 41.96 40.94 2jfb s TYR 13 CO 0.00 -0.02 0.50 0.34 -1.11 0.00 0.00 175.55 175.26 2jfb s ASP 14 N -0.46 6.24 -0.04 2.29 3.68 -1.26 -4.88 116.67 122.24 2jfb s ASP 14 Ca 0.06 -0.50 0.21 0.00 2.13 0.00 0.00 52.55 54.45 2jfb s ASP 14 Cb -0.06 -2.25 0.67 0.00 -1.45 0.00 0.00 42.92 39.82 2jfb s ASP 14 CO -0.00 -0.61 1.57 0.61 0.13 0.00 0.00 175.17 176.86 2jfb n GLY 15 N 5.05 2.62 0.25 2.66 0.00 -0.19 -4.57 105.19 111.02 2jfb n GLY 15 Ca -0.06 -0.81 0.07 0.00 0.00 0.00 0.00 46.02 45.22 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 4.14 0.05 -0.54 1.61 4.64 -1.69 -2.26 113.55 119.50 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 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2jfb h SER 16 CO 0.09 0.09 0.00 0.29 -0.87 0.00 0.00 176.83 176.43 2jfb n LYS 17 N -4.47 2.61 -3.69 4.77 5.02 -1.26 -4.63 118.16 116.50 2jfb n LYS 17 Ca -0.02 -2.46 -0.30 0.00 -2.02 0.00 0.00 58.31 53.51 2jfb n LYS 17 Cb 0.14 -1.54 -0.04 0.00 -0.02 0.00 0.00 35.03 33.56 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 -1.29 4.25 -0.18 -0.35 1.43 -0.85 -5.09 118.68 116.59 2jfb s LEU 18 Ca 0.43 0.48 0.01 0.00 -1.03 0.00 0.00 54.13 54.03 2jfb s LEU 18 Cb 0.24 -3.22 0.03 0.00 0.03 0.00 0.00 46.19 43.27 2jfb s LEU 18 CO 0.33 0.01 -0.15 -0.60 0.23 0.00 0.00 176.35 176.17 2jfb s ARG 19 N -2.96 2.53 -0.09 1.70 3.52 -1.26 -4.68 118.95 117.70 2jfb s ARG 19 Ca 0.39 -0.82 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 2jfb s ARG 19 Cb -0.12 -2.45 -0.03 0.00 -1.56 0.00 0.00 34.95 30.80 2jfb s ARG 19 CO 0.27 -0.30 -0.09 0.42 -0.81 0.00 0.00 175.30 174.79 2jfb s ILE 20 N 1.34 3.46 -0.07 4.11 -1.09 -0.49 -0.53 121.20 127.94 2jfb s ILE 20 Ca 0.02 -0.55 -0.03 0.00 -2.23 0.00 0.00 60.65 57.86 2jfb s ILE 20 Cb -0.14 -2.43 -0.04 0.00 -1.58 0.00 0.00 42.46 38.27 2jfb s ILE 20 CO -0.11 0.56 0.07 -0.83 -1.23 0.00 0.00 174.94 173.41 2jfb s GLY 21 N -0.34 2.01 -0.18 6.18 0.00 -0.66 -1.78 107.32 112.55 2jfb s GLY 21 Ca 0.04 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 44.00 2jfb s GLY 21 CO 0.02 -0.57 -0.18 -0.42 0.00 0.00 0.00 173.10 171.96 2jfb s ILE 22 N -1.04 1.98 -0.24 0.90 1.01 0.12 -0.54 121.20 123.39 2jfb s ILE 22 Ca 0.17 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.83 2jfb s ILE 22 Cb -0.12 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.53 2jfb s ILE 22 CO 0.07 0.46 -0.03 -0.22 0.00 0.00 0.00 174.94 175.22 2jfb s LEU 23 N 1.31 3.17 0.01 2.97 2.96 -0.90 -0.64 118.68 127.56 2jfb s LEU 23 Ca 0.03 -0.65 0.08 0.00 -0.22 0.00 0.00 54.13 53.37 2jfb s LEU 23 Cb -0.14 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 2jfb s LEU 23 CO -0.12 -0.09 -0.23 -1.38 -1.32 0.00 0.00 176.35 173.20 2jfb s HIS 24 N 1.42 2.07 1.11 5.38 -3.43 -0.57 0.42 115.29 121.69 2jfb s HIS 24 Ca 0.03 -0.39 -0.15 0.00 -0.80 0.00 0.00 55.06 53.75 2jfb s HIS 24 Cb -0.16 -1.29 0.25 0.00 -1.43 0.00 0.00 32.58 29.95 2jfb s HIS 24 CO -0.03 0.03 1.07 0.00 -2.00 0.00 0.00 174.74 173.81 2jfb s ALA 25 N -0.66 0.41 -0.01 -1.38 0.00 -0.20 -1.98 121.76 117.93 2jfb s ALA 25 Ca 0.09 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 51.62 2jfb s ALA 25 Cb -0.09 -3.08 -0.09 0.00 0.00 0.00 0.00 23.12 19.86 2jfb s ALA 25 CO 0.00 -3.37 0.12 0.54 0.00 0.00 0.00 175.76 173.06 2jfb n ARG 26 N -4.58 0.40 -2.20 0.00 1.74 -0.31 -4.82 116.66 106.89 2jfb n ARG 26 Ca 0.07 -0.05 -0.38 0.00 -0.77 0.00 0.00 57.85 56.72 2jfb n ARG 26 Cb 0.57 -1.14 -0.01 0.00 -1.02 0.00 0.00 32.46 30.87 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 -2.39 2.89 -1.19 -1.55 0.51 -1.22 -3.20 118.94 112.80 2jfb s TRP 27 Ca -0.02 1.51 -0.00 0.00 -2.12 0.00 0.00 56.10 55.46 2jfb s TRP 27 Cb 0.04 -3.47 0.00 0.00 -0.81 0.00 0.00 33.47 29.22 2jfb s TRP 27 CO 0.24 -1.65 0.99 0.09 -0.51 0.00 0.00 176.95 176.11 2jfb n ASN 28 N -0.20 -2.10 -0.27 2.95 3.02 -1.26 -4.66 115.26 112.74 2jfb n ASN 28 Ca 0.06 -0.61 -0.03 0.00 -0.03 0.00 0.00 54.58 53.97 2jfb n ASN 28 Cb 0.46 -5.06 0.08 0.00 -0.61 0.00 0.00 39.78 34.65 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 -1.89 0.90 -0.77 3.52 9.65 -1.91 -1.37 114.38 122.52 2jfb h ARG 29 Ca -0.58 -0.05 0.12 0.00 -1.10 0.00 0.00 59.98 58.36 2jfb h ARG 29 Cb 1.34 -0.20 -0.08 0.00 -1.39 0.00 0.00 29.97 29.63 2jfb h ARG 29 CO 0.49 0.60 0.37 -0.22 2.80 0.00 0.00 179.97 184.02 2jfb h LYS 30 N 0.93 0.57 0.01 0.20 1.63 -1.91 0.92 116.57 118.92 2jfb h LYS 30 Ca 0.29 -0.03 -0.19 0.00 -0.85 0.00 0.00 60.65 59.87 2jfb h LYS 30 Cb -0.00 -0.13 0.02 0.00 -0.60 0.00 0.00 32.23 31.51 2jfb h LYS 30 CO -0.10 0.38 -0.75 0.82 -3.45 0.00 0.00 179.45 176.34 2jfb h ILE 31 N 0.59 1.38 -0.43 2.00 2.04 -1.82 -3.18 117.51 118.10 2jfb h ILE 31 Ca 0.40 -2.15 0.09 0.00 1.00 0.00 0.00 64.86 64.19 2jfb h ILE 31 Cb 0.50 2.56 -0.08 0.00 -0.74 0.00 0.00 36.82 39.05 2jfb h ILE 31 CO -0.32 0.64 -0.12 0.40 0.00 0.00 0.00 178.15 178.75 2jfb h ILE 32 N 0.04 0.54 -0.84 -0.67 1.08 -0.79 -2.37 117.51 114.50 2jfb h ILE 32 Ca -0.10 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.36 2jfb h ILE 32 Cb 1.45 0.54 -0.04 0.00 -3.07 0.00 0.00 36.82 35.71 2jfb h ILE 32 CO 0.15 0.00 0.46 0.44 -0.69 0.00 0.00 178.15 178.51 2jfb h ASP 33 N -0.02 1.04 -0.61 1.72 3.32 -0.90 -1.34 116.42 119.63 2jfb h ASP 33 Ca 0.21 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 2jfb h ASP 33 Cb 0.33 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2jfb h ASP 33 CO -0.45 0.83 0.14 0.00 -1.72 0.00 0.00 179.24 178.04 2jfb h ALA 34 N 1.34 0.81 -0.50 3.45 0.00 -1.45 -0.13 119.26 122.77 2jfb h ALA 34 Ca 0.30 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2jfb h ALA 34 Cb 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2jfb h ALA 34 CO -0.05 0.52 0.13 -0.07 0.00 0.00 0.00 179.25 179.78 2jfb h LEU 35 N 0.89 0.76 -0.16 0.00 3.38 -1.02 -1.41 115.31 117.76 2jfb h LEU 35 Ca 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2jfb h LEU 35 Cb 0.36 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2jfb h LEU 35 CO 0.00 0.79 0.05 0.58 0.09 0.00 0.00 178.44 179.95 2jfb h VAL 36 N 0.69 1.18 -0.90 1.22 2.07 -1.11 -1.24 116.25 118.17 2jfb h VAL 36 Ca 0.16 -0.57 0.07 0.00 0.82 0.00 0.00 66.70 67.18 2jfb h VAL 36 Cb 0.33 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 2jfb h VAL 36 CO 0.00 0.17 0.58 0.00 0.02 0.00 0.00 177.57 178.35 2jfb h ALA 37 N 0.87 1.54 -0.44 1.67 0.00 -0.96 0.15 119.26 122.10 2jfb h ALA 37 Ca 0.05 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2jfb h ALA 37 Cb 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2jfb h ALA 37 CO -0.00 0.31 -0.19 0.78 0.00 0.00 0.00 179.25 180.15 2jfb h GLY 38 N 0.99 0.97 0.85 0.00 0.00 -1.02 -1.64 103.07 103.22 2jfb h GLY 38 Ca 0.39 -0.86 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 2jfb h GLY 38 CO -0.15 0.78 -0.15 0.00 0.00 0.00 0.00 176.54 177.03 2jfb h ALA 39 N 0.84 0.33 -0.80 3.60 0.00 -0.68 -2.64 119.26 119.91 2jfb h ALA 39 Ca 0.10 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.71 2jfb h ALA 39 Cb 0.75 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 2jfb h ALA 39 CO 0.06 0.21 0.51 0.28 0.00 0.00 0.00 179.25 180.31 2jfb h VAL 40 N 0.21 1.14 0.03 0.00 2.07 -0.72 -1.43 116.25 117.54 2jfb h VAL 40 Ca 0.05 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2jfb h VAL 40 Cb 0.66 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2jfb h VAL 40 CO 0.04 0.18 -0.02 0.50 0.02 0.00 0.00 177.57 178.29 2jfb h LYS 41 N 1.01 -0.05 -0.29 1.57 3.64 -1.26 -2.56 116.57 118.62 2jfb h LYS 41 Ca 0.31 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.59 2jfb h LYS 41 Cb -0.02 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2jfb h LYS 41 CO -0.10 -0.04 -0.25 -0.09 -2.27 0.00 0.00 179.45 176.71 2jfb h ARG 42 N -0.06 0.57 -0.47 1.90 9.65 -1.27 -2.57 114.38 122.13 2jfb h ARG 42 Ca 0.00 -0.22 0.07 0.00 -1.10 0.00 0.00 59.98 58.73 2jfb h ARG 42 Cb 0.05 -0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.54 2jfb h ARG 42 CO -0.01 0.77 0.12 -0.07 2.80 0.00 0.00 179.97 183.58 2jfb h LEU 43 N 0.50 0.06 -1.02 3.80 4.07 -1.12 -2.36 115.31 119.24 2jfb h LEU 43 Ca 0.07 0.07 -0.08 0.00 0.08 0.00 0.00 57.88 58.03 2jfb h LEU 43 Cb 0.69 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.51 2jfb h LEU 43 CO 0.05 0.06 -0.37 1.56 -1.08 0.00 0.00 178.44 178.66 2jfb h GLN 44 N 0.26 0.00 -0.14 1.13 4.20 -1.21 -2.11 115.11 117.24 2jfb h GLN 44 Ca 0.23 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.86 2jfb h GLN 44 Cb 0.28 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2jfb h GLN 44 CO -0.28 0.37 -0.29 0.93 -0.67 0.00 0.00 178.83 178.89 2jfb h GLU 45 N 0.00 0.27 -0.05 1.46 5.08 -1.05 -2.42 114.58 117.88 2jfb h GLU 45 Ca -0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2jfb h GLU 45 Cb 0.85 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2jfb h GLU 45 CO 0.05 0.54 0.00 1.19 -1.00 0.00 0.00 179.01 179.79 2jfb n PHE 46 N -4.13 0.05 -0.11 4.33 3.01 -0.93 -4.92 117.46 114.77 2jfb n PHE 46 Ca -0.01 -0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.42 2jfb n PHE 46 Cb 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.86 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 1.04 0.76 3.67 1.37 0.00 -0.91 -1.02 105.19 110.11 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 -2.10 3.76 0.54 1.61 1.01 -0.84 -3.63 120.40 120.76 2jfb s VAL 48 Ca 0.00 1.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.82 2jfb s VAL 48 Cb 0.00 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2jfb s VAL 48 CO 0.00 -0.05 1.22 -0.54 0.00 0.00 0.00 175.10 175.73 2jfb s LYS 49 N 3.13 3.24 0.45 2.72 1.02 -1.26 -4.20 119.74 124.84 2jfb s LYS 49 Ca 0.65 1.88 0.22 0.00 0.02 0.00 0.00 55.97 58.74 2jfb s LYS 49 Cb -0.30 -2.12 1.07 0.00 -0.52 0.00 0.00 37.83 35.95 2jfb s LYS 49 CO 0.25 -1.00 1.92 1.05 -0.92 0.00 0.00 175.35 176.65 2jfb h GLU 50 N 1.33 0.00 0.00 1.68 4.11 -1.94 -0.34 114.58 119.42 2jfb h GLU 50 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2jfb h GLU 50 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2jfb h GLU 50 CO 0.57 0.23 0.00 1.05 0.07 0.00 0.00 179.01 180.93 2jfb h GLU 51 N 0.00 0.00 -0.62 1.06 9.09 -2.01 -3.07 114.58 119.03 2jfb h GLU 51 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2jfb h GLU 51 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.67 2jfb h GLU 51 CO 0.03 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.18 2jfb n ASN 52 N -2.59 3.65 -4.24 3.06 3.02 -0.15 -4.78 115.26 113.24 2jfb n ASN 52 Ca 0.02 -2.00 -0.38 0.00 -0.03 0.00 0.00 54.58 52.19 2jfb n ASN 52 Cb 0.29 -0.41 -0.12 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 -1.00 3.75 -0.29 2.41 1.01 -1.14 -1.39 121.20 124.55 2jfb s ILE 53 Ca 0.41 -1.34 -0.10 0.00 0.00 0.00 0.00 60.65 59.63 2jfb s ILE 53 Cb 0.22 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 2jfb s ILE 53 CO 0.28 -0.32 0.15 -0.63 0.00 0.00 0.00 174.94 174.42 2jfb s ILE 54 N 1.36 4.76 -0.21 2.92 -1.09 -0.73 -4.99 121.20 123.21 2jfb s ILE 54 Ca 0.00 -0.19 -0.10 0.00 -2.23 0.00 0.00 60.65 58.13 2jfb s ILE 54 Cb -0.21 -3.34 -0.05 0.00 -1.58 0.00 0.00 42.46 37.29 2jfb s ILE 54 CO 0.01 0.18 0.13 -0.63 -1.23 0.00 0.00 174.94 173.40 2jfb s ILE 55 N 1.66 5.35 0.05 2.92 -1.09 -1.26 0.14 121.20 128.97 2jfb s ILE 55 Ca 0.06 0.17 -0.00 0.00 -2.23 0.00 0.00 60.65 58.65 2jfb s ILE 55 Cb -0.16 -3.45 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 2jfb s ILE 55 CO 0.07 0.42 -0.04 -0.70 -1.23 0.00 0.00 174.94 173.46 2jfb s GLU 56 N 0.53 0.58 0.18 2.79 2.56 0.19 -4.97 118.70 120.56 2jfb s GLU 56 Ca 0.08 -1.09 0.09 0.00 0.00 0.00 0.00 54.97 54.05 2jfb s GLU 56 Cb -0.12 0.09 -0.04 0.00 2.00 0.00 0.00 34.13 36.06 2jfb s GLU 56 CO -0.00 -0.07 -0.19 0.95 -0.56 0.00 0.00 175.26 175.39 2jfb s THR 57 N -3.22 1.91 0.14 -1.70 -4.23 -1.26 -1.51 115.64 105.77 2jfb s THR 57 Ca 0.02 -1.98 0.03 0.00 -1.18 0.00 0.00 61.69 58.58 2jfb s THR 57 Cb 0.03 -1.91 -0.04 0.00 1.34 0.00 0.00 72.50 71.91 2jfb s THR 57 CO -0.07 -0.32 -0.06 0.68 -0.54 0.00 0.00 174.62 174.31 2jfb s VAL 58 N -2.10 0.93 0.06 2.29 -7.23 -0.84 -4.91 120.40 108.60 2jfb s VAL 58 Ca 0.18 -2.01 -0.31 0.00 -1.81 0.00 0.00 61.98 58.03 2jfb s VAL 58 Cb -0.06 -1.89 -0.15 0.00 0.56 0.00 0.00 36.38 34.84 2jfb s VAL 58 CO 0.07 -0.70 1.47 -0.65 -0.31 0.00 0.00 175.10 174.99 2jfb h PRO 59 N 2.79 -0.91 -5.01 4.82 0.11 -1.94 -2.79 132.00 129.07 2jfb h PRO 59 Ca -0.36 0.06 -0.55 0.00 0.11 0.00 0.00 66.00 65.26 2jfb h PRO 59 Cb 1.19 0.21 -0.13 0.00 0.11 0.00 0.00 31.00 32.37 2jfb h PRO 59 CO 0.64 -0.61 -0.51 0.20 -0.21 0.00 0.00 178.00 177.51 2jfb s GLY 60 N -1.89 2.58 0.46 -0.55 0.00 -1.26 -1.17 107.32 105.48 2jfb s GLY 60 Ca -0.15 -1.35 0.20 0.00 0.00 0.00 0.00 44.72 43.41 2jfb s GLY 60 CO 0.50 -1.77 1.97 1.76 0.00 0.00 0.00 173.10 175.56 2jfb h SER 61 N 1.84 0.00 0.45 1.64 0.02 -1.93 -2.49 113.55 113.08 2jfb h SER 61 Ca -0.34 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.55 2jfb h SER 61 Cb 1.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 2jfb h SER 61 CO 0.53 0.21 -0.30 0.15 -1.14 0.00 0.00 176.83 176.28 2jfb h PHE 62 N 0.00 0.00 0.00 3.45 3.57 -1.97 -2.40 116.94 119.59 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 0.44 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.18 2jfb h PHE 62 CO 0.00 0.30 -0.05 0.39 -2.23 0.00 0.00 178.31 176.73 2jfb n GLU 63 N -3.89 0.09 -0.10 1.11 4.71 -0.94 -4.27 120.64 117.35 2jfb n GLU 63 Ca -0.02 0.07 -0.07 0.00 -0.01 0.00 0.00 57.16 57.14 2jfb n GLU 63 Cb 0.38 -1.60 0.01 0.00 -1.01 0.00 0.00 31.44 29.21 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 0.00 0.17 0.37 -4.62 3.38 -1.47 0.18 115.31 113.32 2jfb h LEU 64 Ca 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2jfb h LEU 64 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2jfb h LEU 64 CO 0.00 0.14 -0.18 -0.65 0.09 0.00 0.00 178.44 177.84 2jfb h PRO 65 N 0.29 -0.47 -0.09 1.13 0.11 -1.77 -0.75 132.00 130.45 2jfb h PRO 65 Ca 0.15 0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.18 2jfb h PRO 65 Cb 0.10 0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 2jfb h PRO 65 CO -0.14 -0.23 -0.46 -0.92 -0.21 0.00 0.00 178.00 176.04 2jfb h TYR 66 N -0.63 0.25 -0.77 0.65 3.20 -1.82 -2.61 116.97 115.24 2jfb h TYR 66 Ca -0.05 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.76 2jfb h TYR 66 Cb 0.46 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 2jfb h TYR 66 CO -0.02 0.63 0.51 0.78 -1.64 0.00 0.00 178.16 178.43 2jfb h GLY 67 N 1.31 1.09 0.85 1.82 0.00 -0.64 -1.83 103.07 105.66 2jfb h GLY 67 Ca 0.01 -0.40 0.03 0.00 0.00 0.00 0.00 47.33 46.97 2jfb h GLY 67 CO 0.07 0.39 0.43 1.76 0.00 0.00 0.00 176.54 179.19 2jfb h SER 68 N 1.04 0.69 -0.15 0.19 0.02 -0.75 0.26 113.55 114.85 2jfb h SER 68 Ca 0.29 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 2jfb h SER 68 Cb -0.11 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 2jfb h SER 68 CO -0.07 0.48 0.04 0.50 -1.14 0.00 0.00 176.83 176.64 2jfb h LYS 69 N 0.83 0.23 -0.42 3.45 3.64 -1.30 0.15 116.57 123.16 2jfb h LYS 69 Ca 0.28 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2jfb h LYS 69 Cb 0.04 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2jfb h LYS 69 CO -0.12 0.37 0.26 -0.07 -2.27 0.00 0.00 179.45 177.63 2jfb h LEU 70 N 0.05 0.48 -0.09 5.20 3.38 -0.95 0.25 115.31 123.64 2jfb h LEU 70 Ca 0.05 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2jfb h LEU 70 Cb 0.24 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2jfb h LEU 70 CO -0.00 0.36 -0.32 0.15 0.09 0.00 0.00 178.44 178.72 2jfb h PHE 71 N 0.57 0.50 -0.33 1.13 3.57 -0.25 -1.66 116.94 120.46 2jfb h PHE 71 Ca 0.15 -0.21 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 2jfb h PHE 71 Cb -0.04 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 2jfb h PHE 71 CO 0.00 0.94 0.19 0.28 -2.23 0.00 0.00 178.31 177.49 2jfb h VAL 72 N -0.09 1.12 -0.24 1.41 2.07 -0.35 -1.88 116.25 118.30 2jfb h VAL 72 Ca -0.02 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 2jfb h VAL 72 Cb 0.96 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2jfb h VAL 72 CO 0.07 0.12 -0.22 -0.33 0.02 0.00 0.00 177.57 177.24 2jfb h GLU 73 N 0.43 0.44 -0.34 1.57 4.39 -1.01 -2.08 114.58 117.97 2jfb h GLU 73 Ca 0.12 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 2jfb h GLU 73 Cb 0.03 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2jfb h GLU 73 CO -0.02 0.63 0.03 -0.22 -1.16 0.00 0.00 179.01 178.28 2jfb h LYS 74 N 0.39 0.59 -0.36 2.33 3.64 -1.11 -2.36 116.57 119.70 2jfb h LYS 74 Ca 0.06 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 2jfb h LYS 74 Cb 0.60 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 2jfb h LYS 74 CO 0.04 0.68 -0.04 1.96 -2.27 0.00 0.00 179.45 179.82 2jfb h GLN 75 N 0.41 0.59 -0.27 1.90 1.08 -1.18 -1.71 115.11 115.93 2jfb h GLN 75 Ca 0.10 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2jfb h GLN 75 Cb 0.40 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 2jfb h GLN 75 CO 0.01 0.64 0.15 0.87 -0.95 0.00 0.00 178.83 179.56 2jfb h LYS 76 N 0.55 0.37 -0.33 1.46 1.57 -1.29 -0.64 116.57 118.26 2jfb h LYS 76 Ca 0.11 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2jfb h LYS 76 Cb 0.42 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2jfb h LYS 76 CO 0.02 0.31 0.19 0.00 -0.57 0.00 0.00 179.45 179.40 2jfb h ARG 77 N 0.33 0.44 0.00 3.15 3.08 -1.02 -1.87 114.38 118.49 2jfb h ARG 77 Ca 0.10 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2jfb h ARG 77 Cb 0.04 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2jfb h ARG 77 CO -0.02 0.32 0.00 1.28 -1.07 0.00 0.00 179.97 180.49 2jfb n LEU 78 N -4.46 0.09 -0.07 3.04 4.32 -0.68 -4.90 117.00 114.35 2jfb n LEU 78 Ca 0.02 0.51 -0.01 0.00 -0.02 0.00 0.00 56.01 56.51 2jfb n LEU 78 Cb 0.09 -0.49 -0.00 0.00 -1.62 0.00 0.00 43.42 41.40 2jfb n LEU 78 CO 0.35 -0.08 -0.01 0.61 -1.22 0.00 0.00 177.39 177.04 2jfb n GLY 79 N 1.14 0.49 2.50 -0.72 0.00 -0.70 -4.97 105.19 102.92 2jfb n GLY 79 Ca 0.06 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.78 2.42 -1.30 1.61 4.76 -0.28 -5.02 118.16 117.57 2jfb n LYS 80 Ca -0.01 -4.49 -0.31 0.00 -2.87 0.00 0.00 58.31 50.63 2jfb n LYS 80 Cb 0.05 -2.11 0.09 0.00 -1.84 0.00 0.00 35.03 31.22 2jfb n LYS 80 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2jfb s PRO 81 N -2.56 2.33 0.02 1.97 0.04 -1.20 -4.50 135.00 131.09 2jfb s PRO 81 Ca 0.41 1.16 -0.11 0.00 0.04 0.00 0.00 61.00 62.50 2jfb s PRO 81 Cb 0.19 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.77 2jfb s PRO 81 CO -0.05 -1.59 0.35 -0.51 0.04 0.00 0.00 177.00 175.24 2jfb s LEU 82 N -5.86 4.41 0.05 -3.56 1.43 -1.26 -4.70 118.68 109.18 2jfb s LEU 82 Ca 0.61 0.79 0.21 0.00 -1.03 0.00 0.00 54.13 54.71 2jfb s LEU 82 Cb -0.17 -2.68 -0.18 0.00 0.03 0.00 0.00 46.19 43.19 2jfb s LEU 82 CO 0.55 0.27 0.69 0.47 0.23 0.00 0.00 176.35 178.57 2jfb n ASP 83 N 1.41 0.42 -3.49 2.29 8.00 0.30 -4.99 116.55 120.50 2jfb n ASP 83 Ca -0.12 0.17 -0.15 0.00 0.71 0.00 0.00 54.79 55.40 2jfb n ASP 83 Cb 0.53 1.12 -0.04 0.00 -0.02 0.00 0.00 41.12 42.70 2jfb n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jfb s ALA 84 N -3.30 -1.74 0.01 2.24 0.00 -1.23 -4.11 121.76 113.62 2jfb s ALA 84 Ca -0.05 1.08 0.04 0.00 0.00 0.00 0.00 51.96 53.03 2jfb s ALA 84 Cb 0.11 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 2jfb s ALA 84 CO 0.85 -0.51 -0.14 -1.50 0.00 0.00 0.00 175.76 174.46 2jfb s ILE 85 N -2.11 1.07 -0.48 0.00 2.07 -0.39 -1.65 121.20 119.72 2jfb s ILE 85 Ca -0.05 -0.76 0.03 0.00 -1.41 0.00 0.00 60.65 58.46 2jfb s ILE 85 Cb -0.00 -0.93 0.12 0.00 0.13 0.00 0.00 42.46 41.78 2jfb s ILE 85 CO 0.01 0.17 0.22 -0.63 -1.91 0.00 0.00 174.94 172.79 2jfb s ILE 86 N -0.55 2.65 -0.09 2.00 1.01 0.30 -1.12 121.20 125.40 2jfb s ILE 86 Ca 0.04 -2.97 -0.30 0.00 0.00 0.00 0.00 60.65 57.42 2jfb s ILE 86 Cb -0.06 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 2jfb s ILE 86 CO 0.00 -0.75 1.43 -2.16 0.00 0.00 0.00 174.94 173.47 2jfb s PRO 87 N 0.11 4.22 -0.12 2.79 0.04 -1.23 -2.11 135.00 138.71 2jfb s PRO 87 Ca 0.15 1.91 0.02 0.00 0.04 0.00 0.00 61.00 63.12 2jfb s PRO 87 Cb -0.23 -3.81 -0.01 0.00 0.04 0.00 0.00 34.50 30.48 2jfb s PRO 87 CO -0.03 -0.73 -0.18 0.42 0.04 0.00 0.00 177.00 176.52 2jfb s ILE 88 N 3.50 2.59 0.06 0.56 1.01 0.17 -1.91 121.20 127.17 2jfb s ILE 88 Ca 0.63 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 60.28 2jfb s ILE 88 Cb -0.28 -2.05 0.03 0.00 0.01 0.00 0.00 42.46 40.18 2jfb s ILE 88 CO 0.22 0.54 0.39 -0.83 0.00 0.00 0.00 174.94 175.27 2jfb s GLY 89 N 0.35 -0.25 -0.14 6.18 0.00 -0.47 -1.04 107.32 111.96 2jfb s GLY 89 Ca -0.15 0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.78 2jfb s GLY 89 CO 0.07 -0.04 -0.12 0.14 0.00 0.00 0.00 173.10 173.15 2jfb s VAL 90 N -2.68 1.41 -0.18 1.40 1.01 -1.26 -0.87 120.40 119.22 2jfb s VAL 90 Ca -0.04 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2jfb s VAL 90 Cb -0.00 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 35.03 2jfb s VAL 90 CO -0.04 0.41 -0.19 -0.76 0.00 0.00 0.00 175.10 174.52 2jfb s LEU 91 N 1.55 2.20 -0.14 3.92 1.43 -0.19 -4.84 118.68 122.60 2jfb s LEU 91 Ca 0.05 -0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 52.48 2jfb s LEU 91 Cb -0.13 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 2jfb s LEU 91 CO -0.10 -0.00 -0.06 -0.63 0.23 0.00 0.00 176.35 175.79 2jfb s ILE 92 N 1.30 3.71 0.16 -0.59 -1.09 -1.26 -0.92 121.20 122.52 2jfb s ILE 92 Ca 0.05 -0.43 -0.32 0.00 -2.23 0.00 0.00 60.65 57.72 2jfb s ILE 92 Cb -0.13 -2.60 -0.12 0.00 -1.58 0.00 0.00 42.46 38.03 2jfb s ILE 92 CO -0.12 0.52 1.76 1.17 -1.23 0.00 0.00 174.94 177.04 2jfb n LYS 93 N 3.32 2.70 0.00 2.79 3.00 -0.16 -4.84 118.16 124.96 2jfb n LYS 93 Ca -0.18 0.98 0.00 0.00 -0.00 0.00 0.00 58.31 59.11 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 4.03 3.41 0.08 3.14 0.00 -1.26 -4.83 105.19 109.76 2jfb n GLY 94 Ca 0.17 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.28 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 0.05 -5.44 1.61 0.02 -2.02 -3.48 113.55 104.30 2jfb h SER 95 Ca 0.00 -0.08 -0.27 0.00 -0.84 0.00 0.00 61.79 60.59 2jfb h SER 95 Cb 0.00 -0.02 0.02 0.00 0.14 0.00 0.00 62.40 62.54 2jfb h SER 95 CO 0.00 1.07 -0.04 0.35 -1.14 0.00 0.00 176.83 177.07 2jfb n THR 96 N -3.21 0.00 0.75 -2.27 -2.24 -1.26 -5.01 114.28 101.05 2jfb n THR 96 Ca -0.11 -1.09 0.06 0.00 -2.27 0.00 0.00 64.05 60.64 2jfb n THR 96 Cb 1.01 -0.72 0.17 0.00 -2.10 0.00 0.00 70.33 68.69 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 -1.70 1.92 -0.17 -0.78 0.00 -1.26 -4.32 117.12 110.81 2jfb n MET 97 Ca 0.09 -1.39 -0.02 0.00 0.00 0.00 0.00 57.70 56.38 2jfb n MET 97 Cb 0.34 -1.31 0.08 0.00 0.00 0.00 0.00 33.22 32.32 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 2.25 0.27 -0.32 2.03 -0.00 -1.97 -2.59 115.15 114.82 2jfb h HIS 98 Ca 0.00 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.47 2jfb h HIS 98 Cb 0.53 -0.04 -0.08 0.00 -0.00 0.00 0.00 27.41 27.83 2jfb h HIS 98 CO 0.27 0.05 -0.20 0.35 -0.00 0.00 0.00 177.93 178.40 2jfb h PHE 99 N 0.32 -0.52 -0.90 5.26 3.57 -1.89 -2.21 116.94 120.58 2jfb h PHE 99 Ca 0.26 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.84 2jfb h PHE 99 Cb 0.33 0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 2jfb h PHE 99 CO -0.19 -0.28 0.58 0.93 -2.23 0.00 0.00 178.31 177.12 2jfb h GLU 100 N -0.17 1.08 0.00 1.11 3.07 -1.78 -2.14 114.58 115.76 2jfb h GLU 100 Ca 0.16 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 58.83 2jfb h GLU 100 Cb 0.42 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 2jfb h GLU 100 CO -0.42 0.72 -0.90 1.88 -1.40 0.00 0.00 179.01 178.89 2jfb h TYR 101 N 1.12 0.00 -0.03 4.33 0.05 -1.38 -2.50 116.97 118.56 2jfb h TYR 101 Ca 0.36 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 59.00 2jfb h TYR 101 Cb 0.02 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.77 2jfb h TYR 101 CO -0.02 0.52 -0.52 0.82 -1.05 0.00 0.00 178.16 177.90 2jfb h ILE 102 N 0.00 1.43 0.05 -2.88 1.08 -1.30 -3.03 117.51 112.86 2jfb h ILE 102 Ca -0.07 -1.99 0.01 0.00 -0.39 0.00 0.00 64.86 62.42 2jfb h ILE 102 Cb 1.45 2.51 -0.01 0.00 -3.07 0.00 0.00 36.82 37.70 2jfb h ILE 102 CO 0.06 0.58 -0.09 0.00 -0.69 0.00 0.00 178.15 178.01 2jfb h ASP 104 N -0.18 -0.15 0.20 0.00 3.58 -1.55 -0.10 116.42 118.21 2jfb h ASP 104 Ca 0.02 0.03 -0.23 0.00 0.42 0.00 0.00 57.03 57.27 2jfb h ASP 104 Cb 0.19 0.08 0.01 0.00 1.72 0.00 0.00 39.33 41.33 2jfb h ASP 104 CO -0.05 -0.07 -0.91 0.77 -2.88 0.00 0.00 179.24 176.11 2jfb h SER 105 N -0.05 0.65 0.04 2.28 4.64 -1.56 -2.58 113.55 116.96 2jfb h SER 105 Ca 0.04 -0.49 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2jfb h SER 105 Cb 0.12 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2jfb h SER 105 CO -0.10 1.28 -0.02 0.74 -0.87 0.00 0.00 176.83 177.86 2jfb h THR 106 N 0.31 1.11 -0.13 2.95 2.02 -1.25 -1.79 112.91 116.13 2jfb h THR 106 Ca -0.08 -0.47 0.03 0.00 0.77 0.00 0.00 66.41 66.66 2jfb h THR 106 Cb 1.53 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 69.34 2jfb h THR 106 CO 0.16 0.12 -0.07 0.74 0.37 0.00 0.00 175.52 176.85 2jfb h THR 107 N -0.26 0.78 -0.90 3.16 2.02 -1.07 0.26 112.91 116.91 2jfb h THR 107 Ca -0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.18 2jfb h THR 107 Cb 0.24 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 2jfb h THR 107 CO 0.01 0.00 0.60 0.45 0.37 0.00 0.00 175.52 176.95 2jfb h HIS 108 N -0.06 1.13 -0.13 3.16 3.86 -1.48 -2.17 115.15 119.46 2jfb h HIS 108 Ca 0.07 0.03 -0.15 0.00 -1.16 0.00 0.00 60.37 59.16 2jfb h HIS 108 Cb 0.17 -0.38 0.01 0.00 1.06 0.00 0.00 27.41 28.26 2jfb h HIS 108 CO -0.20 0.71 -0.52 1.96 0.86 0.00 0.00 177.93 180.74 2jfb h GLN 109 N 1.22 0.58 -0.95 2.45 1.08 -0.96 -1.87 115.11 116.66 2jfb h GLN 109 Ca 0.33 -0.45 0.04 0.00 -1.45 0.00 0.00 58.65 57.12 2jfb h GLN 109 Cb -0.14 0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.33 2jfb h GLN 109 CO -0.07 1.07 0.62 -0.07 -0.95 0.00 0.00 178.83 179.44 2jfb h LEU 110 N 0.21 1.03 0.08 1.46 3.38 -0.93 0.98 115.31 121.53 2jfb h LEU 110 Ca -0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jfb h LEU 110 Cb 1.15 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2jfb h LEU 110 CO 0.11 0.70 -0.04 -0.03 0.09 0.00 0.00 178.44 179.27 2jfb h MET 111 N 1.19 -0.10 -0.07 1.13 4.05 -1.34 -2.83 114.93 116.95 2jfb h MET 111 Ca 0.38 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.80 2jfb h MET 111 Cb 0.03 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.85 2jfb h MET 111 CO -0.12 -0.00 -0.00 0.87 0.23 0.00 0.00 176.91 177.88 2jfb h LYS 112 N -0.18 0.10 0.00 0.39 1.57 -0.92 -2.94 116.57 114.58 2jfb h LYS 112 Ca -0.01 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2jfb h LYS 112 Cb 0.15 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 2jfb h LYS 112 CO 0.02 0.11 -0.13 1.25 -0.57 0.00 0.00 179.45 180.14 2jfb h LEU 113 N 0.10 0.00 -0.88 2.94 5.85 -0.56 -1.40 115.31 121.37 2jfb h LEU 113 Ca 0.02 0.00 0.21 0.00 0.84 0.00 0.00 57.88 58.95 2jfb h LEU 113 Cb 0.08 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 40.99 2jfb h LEU 113 CO 0.00 0.13 0.38 0.78 -0.34 0.00 0.00 178.44 179.38 2jfb h ASN 114 N 0.00 0.32 0.73 1.25 2.35 -1.52 0.09 115.58 118.79 2jfb h ASN 114 Ca -0.00 0.15 -0.21 0.00 -0.55 0.00 0.00 56.30 55.69 2jfb h ASN 114 Cb 0.23 0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 2jfb h ASN 114 CO 0.02 0.02 -1.39 -0.26 -1.65 0.00 0.00 177.43 174.16 2jfb h PHE 115 N 0.41 0.00 0.08 1.19 -1.00 -1.47 -2.50 116.94 113.65 2jfb h PHE 115 Ca 0.54 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 61.04 2jfb h PHE 115 Cb 0.99 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.57 2jfb h PHE 115 CO -0.15 0.74 -1.15 0.93 -1.61 0.00 0.00 178.31 177.08 2jfb h GLU 116 N 0.00 0.50 0.00 1.51 5.08 -1.10 -3.34 114.58 117.23 2jfb h GLU 116 Ca -0.18 -0.65 -0.20 0.00 -1.00 0.00 0.00 59.36 57.34 2jfb h GLU 116 Cb 1.72 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 31.15 2jfb h GLU 116 CO 0.07 1.27 -1.48 -0.07 -1.00 0.00 0.00 179.01 177.80 2jfb h LEU 117 N 0.23 0.00 0.24 1.33 3.38 -1.12 -3.49 115.31 115.88 2jfb h LEU 117 Ca -0.14 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 2jfb h LEU 117 Cb 1.82 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.54 2jfb h LEU 117 CO 0.21 0.69 -0.08 0.61 0.09 0.00 0.00 178.44 179.96 2jfb n GLY 118 N 1.43 0.64 3.11 0.83 0.00 -0.94 -5.04 105.19 105.21 2jfb n GLY 118 Ca -0.11 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.16 0.61 0.16 -0.61 -4.36 -1.23 -5.06 121.20 108.55 2jfb s ILE 119 Ca 0.00 -1.43 -0.33 0.00 -0.26 0.00 0.00 60.65 58.63 2jfb s ILE 119 Cb 0.00 -1.05 -0.13 0.00 1.25 0.00 0.00 42.46 42.53 2jfb s ILE 119 CO 0.00 -0.58 1.67 -2.65 0.24 0.00 0.00 174.94 173.62 2jfb n PRO 120 N 0.85 2.45 -3.85 0.37 -0.02 -1.26 -4.45 135.00 129.08 2jfb n PRO 120 Ca -0.18 0.88 -0.35 0.00 -2.02 0.00 0.00 63.50 61.83 2jfb n PRO 120 Cb 0.57 -2.70 -0.13 0.00 -0.02 0.00 0.00 33.50 31.23 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 1.34 3.08 -0.15 -1.45 1.01 -1.26 -1.26 120.40 121.71 2jfb s VAL 121 Ca 0.78 -1.80 -0.26 0.00 0.00 0.00 0.00 61.98 60.70 2jfb s VAL 121 Cb -0.60 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 2jfb s VAL 121 CO 0.36 -0.44 0.87 -0.63 0.00 0.00 0.00 175.10 175.27 2jfb s ILE 122 N 1.17 4.86 -0.57 2.22 -1.09 -0.27 -4.89 121.20 122.62 2jfb s ILE 122 Ca 0.03 1.74 -0.27 0.00 -2.23 0.00 0.00 60.65 59.92 2jfb s ILE 122 Cb -0.21 -4.18 -0.01 0.00 -1.58 0.00 0.00 42.46 36.48 2jfb s ILE 122 CO -0.03 0.03 1.73 0.12 -1.23 0.00 0.00 174.94 175.56 2jfb s PHE 123 N 2.04 1.84 -0.36 3.97 5.36 -1.26 -3.53 117.98 126.03 2jfb s PHE 123 Ca 0.41 0.65 0.06 0.00 -0.96 0.00 0.00 56.93 57.09 2jfb s PHE 123 Cb -0.17 -4.19 0.48 0.00 -0.34 0.00 0.00 43.02 38.80 2jfb s PHE 123 CO 0.14 -2.32 1.46 0.41 -1.46 0.00 0.00 175.22 173.46 2jfb n GLY 124 N 5.56 5.65 3.47 13.12 0.00 -0.80 -4.98 105.19 127.20 2jfb n GLY 124 Ca 0.18 -1.96 -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 -4.03 4.22 0.09 1.61 1.01 -1.26 -1.36 120.40 120.68 2jfb s VAL 125 Ca 0.50 -0.21 -0.24 0.00 0.00 0.00 0.00 61.98 62.03 2jfb s VAL 125 Cb 0.43 -2.94 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 2jfb s VAL 125 CO 0.01 0.39 0.73 -0.76 0.00 0.00 0.00 175.10 175.47 2jfb s LEU 126 N 1.21 4.51 -0.63 3.92 1.43 -0.05 -4.95 118.68 124.12 2jfb s LEU 126 Ca 0.04 1.47 0.05 0.00 -1.03 0.00 0.00 54.13 54.66 2jfb s LEU 126 Cb -0.14 -3.18 0.19 0.00 0.03 0.00 0.00 46.19 43.08 2jfb s LEU 126 CO 0.02 0.12 0.52 0.35 0.23 0.00 0.00 176.35 177.60 2jfb n THR 127 N 2.24 1.21 -4.03 5.49 -2.24 -1.26 -1.03 114.28 114.66 2jfb n THR 127 Ca -0.05 -4.67 -0.28 0.00 -2.27 0.00 0.00 64.05 56.79 2jfb n THR 127 Cb 0.50 -2.08 -0.05 0.00 -2.10 0.00 0.00 70.33 66.60 2jfb n THR 127 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jfb h LEU 129 N 2.66 0.21 -8.89 0.00 3.38 -1.92 -0.39 115.31 110.36 2jfb h LEU 129 Ca -0.47 -0.26 -0.40 0.00 0.09 0.00 0.00 57.88 56.83 2jfb h LEU 129 Cb 1.19 -0.07 -0.14 0.00 0.09 0.00 0.00 40.66 41.72 2jfb h LEU 129 CO 0.66 1.21 -0.68 0.42 0.09 0.00 0.00 178.44 180.14 2jfb s THR 130 N -2.66 1.29 0.21 0.22 -4.23 -1.26 -3.95 115.64 105.27 2jfb s THR 130 Ca -0.04 -2.08 -0.07 0.00 -1.18 0.00 0.00 61.69 58.32 2jfb s THR 130 Cb 0.08 -2.21 0.12 0.00 1.34 0.00 0.00 72.50 71.82 2jfb s THR 130 CO 0.85 -0.45 1.72 0.44 -0.54 0.00 0.00 174.62 176.64 2jfb h ASP 131 N 2.51 1.03 -0.87 3.99 3.32 -1.95 -3.04 116.42 121.42 2jfb h ASP 131 Ca -0.38 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 56.45 2jfb h ASP 131 Cb 1.22 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.45 2jfb h ASP 131 CO 0.65 1.01 0.58 -0.08 -1.72 0.00 0.00 179.24 179.67 2jfb h GLU 132 N 1.03 1.15 -0.73 3.56 4.22 -1.98 -0.64 114.58 121.18 2jfb h GLU 132 Ca 0.21 -0.07 -0.01 0.00 0.08 0.00 0.00 59.36 59.57 2jfb h GLU 132 Cb 0.39 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2jfb h GLU 132 CO 0.01 0.76 0.41 1.96 -2.18 0.00 0.00 179.01 179.96 2jfb h GLN 133 N 1.18 1.01 -0.30 1.92 4.20 -1.96 -0.26 115.11 120.91 2jfb h GLN 133 Ca 0.32 -0.11 -0.17 0.00 0.06 0.00 0.00 58.65 58.75 2jfb h GLN 133 Cb -0.13 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.44 2jfb h GLN 133 CO -0.07 0.74 -0.47 0.00 -0.67 0.00 0.00 178.83 178.36 2jfb h ALA 134 N 1.21 0.60 -0.50 3.87 0.00 -1.42 -2.52 119.26 120.50 2jfb h ALA 134 Ca 0.26 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2jfb h ALA 134 Cb 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2jfb h ALA 134 CO -0.04 0.68 0.24 0.93 0.00 0.00 0.00 179.25 181.05 2jfb h GLU 135 N 0.64 0.72 -0.84 0.00 5.08 -0.90 -2.21 114.58 117.08 2jfb h GLU 135 Ca 0.03 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2jfb h GLU 135 Cb 1.05 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 2jfb h GLU 135 CO 0.10 0.61 0.41 0.00 -1.00 0.00 0.00 179.01 179.13 2jfb h ALA 136 N 1.08 1.16 -0.03 3.43 0.00 -1.01 -0.93 119.26 122.95 2jfb h ALA 136 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jfb h ALA 136 Cb 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2jfb h ALA 136 CO -0.02 0.65 0.00 0.54 0.00 0.00 0.00 179.25 180.42 2jfb n ARG 137 N -4.31 1.30 -0.03 0.00 1.74 -0.95 -2.74 116.66 111.67 2jfb n ARG 137 Ca 0.08 -0.45 0.07 0.00 -0.77 0.00 0.00 57.85 56.78 2jfb n ARG 137 Cb 0.13 -1.44 0.07 0.00 -1.02 0.00 0.00 32.46 30.20 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 -0.42 2.44 -1.04 7.54 0.00 -0.84 -1.05 120.51 127.14 2jfb n ALA 138 Ca 0.20 -0.68 -0.01 0.00 0.00 0.00 0.00 53.44 52.94 2jfb n ALA 138 Cb 0.21 -0.46 -0.01 0.00 0.00 0.00 0.00 19.45 19.19 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 0.74 0.50 0.25 0.00 0.00 -1.04 -4.51 105.19 101.13 2jfb n GLY 139 Ca 0.09 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 0.91 -4.16 0.99 4.77 -0.41 -4.66 117.00 114.31 2jfb n LEU 140 Ca -0.01 -0.22 -0.34 0.00 -0.03 0.00 0.00 56.01 55.41 2jfb n LEU 140 Cb 0.06 -0.11 -0.14 0.00 -2.33 0.00 0.00 43.42 40.90 2jfb n LEU 140 CO 0.02 0.16 -0.42 -0.63 -1.33 0.00 0.00 177.39 175.19 2jfb s ILE 141 N -2.35 2.67 0.17 -0.08 1.01 -1.25 -4.96 121.20 116.41 2jfb s ILE 141 Ca 0.30 -1.23 -0.32 0.00 0.00 0.00 0.00 60.65 59.41 2jfb s ILE 141 Cb 0.20 -2.42 -0.12 0.00 0.01 0.00 0.00 42.46 40.14 2jfb s ILE 141 CO 0.46 0.12 1.77 -0.62 0.00 0.00 0.00 174.94 176.66 2jfb n GLU 142 N 4.60 2.78 -0.67 2.79 1.02 -1.26 -1.85 120.64 128.05 2jfb n GLU 142 Ca -0.16 1.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 2jfb n GLU 142 Cb 0.45 -2.87 0.00 0.00 -0.02 0.00 0.00 31.44 29.00 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 4.07 1.45 3.42 0.62 0.00 -1.26 -5.00 105.19 108.49 2jfb n GLY 143 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.08 3.08 4.51 1.61 -0.14 -0.77 -5.03 119.74 122.93 2jfb s LYS 144 Ca 0.00 -0.91 0.00 0.00 -1.36 0.00 0.00 55.97 53.70 2jfb s LYS 144 Cb 0.00 -3.70 0.00 0.00 -1.68 0.00 0.00 37.83 32.45 2jfb s LYS 144 CO 0.00 -0.58 0.00 -1.33 -0.76 0.00 0.00 175.35 172.68 2jfb n MET 145 N 5.02 0.00 -3.89 1.68 2.81 -1.26 -4.74 117.12 116.74 2jfb n MET 145 Ca -0.12 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.69 2jfb n MET 145 Cb 0.48 0.00 -0.03 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 -0.01 -0.49 2.03 -3.43 -1.25 -5.01 115.29 107.13 2jfb s HIS 146 Ca 0.00 -0.40 -0.28 0.00 -0.80 0.00 0.00 55.06 53.57 2jfb s HIS 146 Cb 0.00 0.51 0.02 0.00 -1.43 0.00 0.00 32.58 31.68 2jfb s HIS 146 CO 0.00 -1.13 1.33 1.21 -2.00 0.00 0.00 174.74 174.15 2jfb s ASN 147 N -2.94 6.35 0.62 7.38 3.84 -1.26 -3.65 114.94 125.27 2jfb s ASN 147 Ca 0.14 0.49 0.39 0.00 0.21 0.00 0.00 52.86 54.10 2jfb s ASN 147 Cb -0.04 -2.55 2.06 0.00 -0.55 0.00 0.00 41.25 40.18 2jfb s ASN 147 CO 0.07 -1.49 2.26 0.45 -2.79 0.00 0.00 177.10 175.59 2jfb h HIS 148 N 10.37 0.00 -0.95 0.43 3.86 -1.39 -2.37 115.15 125.10 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 -0.08 0.00 1.06 0.00 0.00 27.41 29.48 2jfb h HIS 148 CO 1.00 0.01 0.59 0.78 0.86 0.00 0.00 177.93 181.18 2jfb h GLY 149 N 0.49 1.52 1.24 2.45 0.00 -1.79 -2.37 103.07 104.61 2jfb h GLY 149 Ca -0.00 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 46.94 2jfb h GLY 149 CO 0.00 0.19 0.48 0.83 0.00 0.00 0.00 176.54 178.04 2jfb h GLU 150 N 0.98 0.92 -0.59 4.80 5.08 -1.50 -1.97 114.58 122.30 2jfb h GLU 150 Ca 0.46 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.67 2jfb h GLU 150 Cb 0.39 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2jfb h GLU 150 CO -0.24 0.61 -0.00 -0.44 -1.00 0.00 0.00 179.01 177.94 2jfb h ASP 151 N 0.95 1.02 -0.14 1.42 3.32 -1.58 -2.83 116.42 118.57 2jfb h ASP 151 Ca 0.28 -0.29 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 2jfb h ASP 151 Cb -0.05 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 2jfb h ASP 151 CO -0.07 1.07 -0.28 -0.50 -1.72 0.00 0.00 179.24 177.74 2jfb h TRP 152 N 0.95 0.69 -0.03 4.55 6.55 -1.21 0.13 115.95 127.59 2jfb h TRP 152 Ca 0.17 -0.16 0.01 0.00 0.95 0.00 0.00 58.89 59.85 2jfb h TRP 152 Cb 0.55 -0.16 -0.01 0.00 -0.86 0.00 0.00 29.16 28.68 2jfb h TRP 152 CO 0.04 0.82 -0.02 0.78 -1.05 0.00 0.00 178.44 179.01 2jfb h GLY 153 N 1.01 0.00 0.97 1.49 0.00 -1.36 -1.46 103.07 103.72 2jfb h GLY 153 Ca 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 2jfb h GLY 153 CO 0.06 -0.03 0.24 0.00 0.00 0.00 0.00 176.54 176.81 2jfb h ALA 154 N 1.00 0.56 -0.45 3.60 0.00 -1.21 -2.77 119.26 119.99 2jfb h ALA 154 Ca 0.02 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2jfb h ALA 154 Cb 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2jfb h ALA 154 CO -0.04 0.09 0.21 0.00 0.00 0.00 0.00 179.25 179.51 2jfb h ALA 155 N 1.09 0.56 -0.69 0.00 0.00 -0.66 -1.59 119.26 117.97 2jfb h ALA 155 Ca 0.15 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.15 2jfb h ALA 155 Cb 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2jfb h ALA 155 CO -0.02 -0.15 0.39 0.00 0.00 0.00 0.00 179.25 179.47 2jfb h ALA 156 N 1.25 0.92 -0.25 0.00 0.00 -1.06 -0.25 119.26 119.87 2jfb h ALA 156 Ca 0.20 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 2jfb h ALA 156 Cb 0.13 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2jfb h ALA 156 CO -0.15 0.08 -0.29 0.28 0.00 0.00 0.00 179.25 179.17 2jfb h VAL 157 N 0.72 1.31 -0.10 0.00 2.07 -1.22 -2.73 116.25 116.31 2jfb h VAL 157 Ca 0.30 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 2jfb h VAL 157 Cb 0.17 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2jfb h VAL 157 CO -0.17 0.46 0.03 -0.08 0.02 0.00 0.00 177.57 177.83 2jfb h GLU 158 N 0.34 0.16 0.00 1.57 4.81 -1.05 -2.84 114.58 117.57 2jfb h GLU 158 Ca 0.03 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 2jfb h GLU 158 Cb 0.86 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 2jfb h GLU 158 CO 0.07 0.29 -0.25 0.52 -0.73 0.00 0.00 179.01 178.91 2jfb h MET 159 N -0.01 0.00 0.00 1.92 2.86 -1.10 0.80 114.93 119.40 2jfb h MET 159 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2jfb h MET 159 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 2jfb h MET 159 CO -0.00 0.25 -0.36 0.00 1.06 0.00 0.00 176.91 177.87 2jfb n ALA 160 N -2.38 2.86 -0.03 6.32 0.00 -1.03 -4.51 120.51 121.73 2jfb n ALA 160 Ca -0.02 -0.21 -0.07 0.00 0.00 0.00 0.00 53.44 53.15 2jfb n ALA 160 Cb 0.34 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 2jfb n ALA 160 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2jfb n THR 161 N -1.85 0.36 -0.33 0.00 -1.04 -0.93 -4.84 114.28 105.65 2jfb n THR 161 Ca 0.05 -0.10 0.21 0.00 -2.04 0.00 0.00 64.05 62.17 2jfb n THR 161 Cb 0.39 -1.43 0.43 0.00 -1.82 0.00 0.00 70.33 67.90 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 -0.19 0.38 -1.17 -2.82 3.64 -1.08 -1.62 116.57 113.70 2jfb h LYS 162 Ca -0.16 -0.02 -0.68 0.00 -1.27 0.00 0.00 60.65 58.51 2jfb h LYS 162 Cb 1.16 -0.09 -0.31 0.00 -0.41 0.00 0.00 32.23 32.59 2jfb h LYS 162 CO -0.09 0.25 0.68 1.19 -2.27 0.00 0.00 179.45 179.22 2jfb n PHE 163 N -5.02 3.14 -0.69 1.91 3.01 -1.26 -5.14 117.46 113.42 2jfb n PHE 163 Ca 0.29 -2.82 0.00 0.00 1.01 0.00 0.00 57.45 55.93 2jfb n PHE 163 Cb 0.88 -1.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.10 2jfb n PHE 163 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86