#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 2.76 -0.16 2.13 1.51 -1.26 -5.11 117.35 117.22 2jfb s TYR 13 Ca 0.00 -0.81 -0.03 0.00 -1.01 0.00 0.00 57.07 55.22 2jfb s TYR 13 Cb 0.00 -1.83 -0.02 0.00 -0.11 0.00 0.00 41.96 40.00 2jfb s TYR 13 CO 0.00 -0.31 -0.05 0.34 -1.11 0.00 0.00 175.55 174.41 2jfb s ASP 14 N 0.46 4.57 -0.11 2.29 3.68 -1.26 -4.87 116.67 121.42 2jfb s ASP 14 Ca -0.11 -0.21 0.14 0.00 2.13 0.00 0.00 52.55 54.50 2jfb s ASP 14 Cb -0.16 -1.74 0.42 0.00 -1.45 0.00 0.00 42.92 39.99 2jfb s ASP 14 CO 0.05 0.14 1.34 0.61 0.13 0.00 0.00 175.17 177.43 2jfb n GLY 15 N 3.75 3.59 0.27 2.66 0.00 0.62 -4.71 105.19 111.37 2jfb n GLY 15 Ca -0.18 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.19 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 1.74 0.00 -0.56 1.61 4.64 -1.69 -1.47 113.55 117.82 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 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2jfb h SER 16 CO 0.13 0.10 0.00 0.29 -0.87 0.00 0.00 176.83 176.48 2jfb n LYS 17 N -3.78 3.63 -4.08 4.77 5.02 -1.26 -4.62 118.16 117.84 2jfb n LYS 17 Ca -0.02 -2.82 -0.31 0.00 -2.02 0.00 0.00 58.31 53.14 2jfb n LYS 17 Cb 0.20 -1.85 -0.07 0.00 -0.02 0.00 0.00 35.03 33.30 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 -1.95 3.82 -0.27 -0.35 1.43 -0.55 -5.09 118.68 115.72 2jfb s LEU 18 Ca 0.47 0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.60 2jfb s LEU 18 Cb 0.31 -2.40 0.04 0.00 0.03 0.00 0.00 46.19 44.17 2jfb s LEU 18 CO 0.21 0.21 -0.04 -0.60 0.23 0.00 0.00 176.35 176.35 2jfb s ARG 19 N -2.16 2.60 -0.15 1.70 3.52 -1.26 -4.66 118.95 118.55 2jfb s ARG 19 Ca 0.27 -1.14 -0.05 0.00 -0.13 0.00 0.00 55.73 54.68 2jfb s ARG 19 Cb -0.12 -3.05 -0.04 0.00 -1.56 0.00 0.00 34.95 30.19 2jfb s ARG 19 CO 0.19 -0.51 0.03 0.42 -0.81 0.00 0.00 175.30 174.62 2jfb s ILE 20 N 1.27 4.52 -0.14 4.11 -1.09 -0.38 -0.70 121.20 128.79 2jfb s ILE 20 Ca -0.03 -0.14 -0.06 0.00 -2.23 0.00 0.00 60.65 58.18 2jfb s ILE 20 Cb -0.18 -2.99 -0.04 0.00 -1.58 0.00 0.00 42.46 37.67 2jfb s ILE 20 CO -0.03 0.52 0.09 -0.83 -1.23 0.00 0.00 174.94 173.46 2jfb s GLY 21 N -0.08 2.02 -0.20 6.18 0.00 -0.43 -1.49 107.32 113.33 2jfb s GLY 21 Ca 0.05 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.07 2jfb s GLY 21 CO 0.02 -0.24 -0.16 -0.42 0.00 0.00 0.00 173.10 172.29 2jfb s ILE 22 N -0.47 2.33 -0.18 0.90 1.01 0.68 0.11 121.20 125.58 2jfb s ILE 22 Ca 0.11 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.82 2jfb s ILE 22 Cb -0.12 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 2jfb s ILE 22 CO 0.02 0.47 -0.08 -0.22 0.00 0.00 0.00 174.94 175.12 2jfb s LEU 23 N 1.31 2.83 0.04 2.97 2.96 -0.92 -0.74 118.68 127.13 2jfb s LEU 23 Ca 0.04 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 2jfb s LEU 23 Cb -0.14 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 2jfb s LEU 23 CO -0.10 0.07 -0.12 -1.38 -1.32 0.00 0.00 176.35 173.50 2jfb s HIS 24 N 0.92 1.04 0.87 5.38 -3.43 -0.30 0.43 115.29 120.20 2jfb s HIS 24 Ca -0.02 -0.37 -0.12 0.00 -0.80 0.00 0.00 55.06 53.76 2jfb s HIS 24 Cb -0.15 -0.62 0.11 0.00 -1.43 0.00 0.00 32.58 30.50 2jfb s HIS 24 CO 0.00 0.01 1.10 0.00 -2.00 0.00 0.00 174.74 173.85 2jfb s ALA 25 N -0.95 1.77 -0.47 -1.38 0.00 0.05 -1.35 121.76 119.43 2jfb s ALA 25 Ca -0.01 -0.19 0.10 0.00 0.00 0.00 0.00 51.96 51.85 2jfb s ALA 25 Cb -0.08 -3.14 -0.11 0.00 0.00 0.00 0.00 23.12 19.80 2jfb s ALA 25 CO 0.01 -2.17 0.42 0.54 0.00 0.00 0.00 175.76 174.56 2jfb n ARG 26 N -3.74 3.74 -2.31 0.00 1.74 -0.33 -4.84 116.66 110.92 2jfb n ARG 26 Ca 0.07 -0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.76 2jfb n ARG 26 Cb 0.56 -0.97 -0.03 0.00 -1.02 0.00 0.00 32.46 31.01 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 -1.93 3.18 -1.24 -1.55 0.52 -1.20 -3.47 118.94 113.25 2jfb s TRP 27 Ca 0.04 1.56 -0.00 0.00 0.02 0.00 0.00 56.10 57.72 2jfb s TRP 27 Cb 0.07 -3.41 0.00 0.00 -1.15 0.00 0.00 33.47 28.99 2jfb s TRP 27 CO 0.40 -1.22 0.90 0.09 0.02 0.00 0.00 176.95 177.15 2jfb n ASN 28 N 0.42 -1.79 -0.29 2.95 3.02 -1.26 -4.61 115.26 113.70 2jfb n ASN 28 Ca 0.02 -0.69 0.07 0.00 -0.03 0.00 0.00 54.58 53.96 2jfb n ASN 28 Cb 0.45 -4.77 0.29 0.00 -0.61 0.00 0.00 39.78 35.15 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 -1.90 0.87 -0.48 3.52 9.65 -1.91 -1.27 114.38 122.86 2jfb h ARG 29 Ca -0.60 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 58.25 2jfb h ARG 29 Cb 1.35 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 29.70 2jfb h ARG 29 CO 0.52 0.58 0.30 -0.22 2.80 0.00 0.00 179.97 183.94 2jfb h LYS 30 N 0.90 0.58 -0.13 0.20 3.64 -1.91 0.11 116.57 119.94 2jfb h LYS 30 Ca 0.42 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.58 2jfb h LYS 30 Cb 0.41 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2jfb h LYS 30 CO -0.18 0.38 -0.66 0.82 -2.27 0.00 0.00 179.45 177.54 2jfb h ILE 31 N 0.60 1.34 0.07 2.00 2.04 -1.72 -3.06 117.51 118.77 2jfb h ILE 31 Ca 0.19 -1.97 -0.00 0.00 1.00 0.00 0.00 64.86 64.08 2jfb h ILE 31 Cb -0.01 1.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2jfb h ILE 31 CO -0.07 0.60 -0.05 0.40 0.00 0.00 0.00 178.15 179.03 2jfb h ILE 32 N 0.38 0.89 -0.53 -0.67 1.08 -0.95 -2.81 117.51 114.90 2jfb h ILE 32 Ca -0.02 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.50 2jfb h ILE 32 Cb 1.23 0.89 -0.03 0.00 -3.07 0.00 0.00 36.82 35.84 2jfb h ILE 32 CO 0.12 0.00 0.36 0.44 -0.69 0.00 0.00 178.15 178.38 2jfb h ASP 33 N -0.12 0.49 -0.35 1.72 3.32 -0.81 -0.96 116.42 119.70 2jfb h ASP 33 Ca -0.00 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 2jfb h ASP 33 Cb 0.11 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2jfb h ASP 33 CO -0.00 0.33 -0.34 0.00 -1.72 0.00 0.00 179.24 177.51 2jfb h ALA 34 N 1.70 0.52 -0.26 3.45 0.00 -1.44 -2.23 119.26 121.00 2jfb h ALA 34 Ca 0.22 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 2jfb h ALA 34 Cb 0.18 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2jfb h ALA 34 CO -0.06 0.58 -0.25 -0.07 0.00 0.00 0.00 179.25 179.45 2jfb h LEU 35 N 0.65 0.67 -0.21 0.00 3.38 -1.14 -2.24 115.31 116.42 2jfb h LEU 35 Ca 0.06 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 57.57 2jfb h LEU 35 Cb 0.93 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2jfb h LEU 35 CO 0.09 1.01 0.11 0.58 0.09 0.00 0.00 178.44 180.31 2jfb h VAL 36 N 0.35 1.00 -0.67 1.22 2.07 -1.23 -1.23 116.25 117.76 2jfb h VAL 36 Ca 0.04 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2jfb h VAL 36 Cb 0.82 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2jfb h VAL 36 CO 0.06 0.04 0.36 0.00 0.02 0.00 0.00 177.57 178.06 2jfb h ALA 37 N 1.10 1.37 -0.51 1.67 0.00 -1.42 -0.30 119.26 121.18 2jfb h ALA 37 Ca 0.08 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2jfb h ALA 37 Cb 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2jfb h ALA 37 CO -0.05 0.51 -0.01 0.78 0.00 0.00 0.00 179.25 180.48 2jfb h GLY 38 N 1.00 0.93 0.90 0.00 0.00 -1.05 0.84 103.07 105.68 2jfb h GLY 38 Ca 0.24 -0.64 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 2jfb h GLY 38 CO -0.04 0.60 -0.20 0.00 0.00 0.00 0.00 176.54 176.90 2jfb h ALA 39 N 1.19 0.38 -0.07 3.60 0.00 -0.68 -2.52 119.26 121.16 2jfb h ALA 39 Ca 0.15 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2jfb h ALA 39 Cb 0.49 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jfb h ALA 39 CO 0.02 0.32 0.04 0.28 0.00 0.00 0.00 179.25 179.91 2jfb h VAL 40 N 0.32 1.08 -0.62 0.00 2.07 -0.95 -0.10 116.25 118.07 2jfb h VAL 40 Ca 0.05 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.42 2jfb h VAL 40 Cb 0.74 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 2jfb h VAL 40 CO 0.05 0.07 0.27 0.50 0.02 0.00 0.00 177.57 178.49 2jfb h LYS 41 N 0.02 0.48 -0.13 1.57 3.64 -0.86 -1.71 116.57 119.58 2jfb h LYS 41 Ca 0.02 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.15 2jfb h LYS 41 Cb 0.08 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2jfb h LYS 41 CO -0.00 0.32 -0.78 -0.09 -2.27 0.00 0.00 179.45 176.62 2jfb h ARG 42 N 0.49 0.76 -0.61 1.90 9.65 -1.35 -2.75 114.38 122.47 2jfb h ARG 42 Ca 0.30 -0.64 0.13 0.00 -1.10 0.00 0.00 59.98 58.67 2jfb h ARG 42 Cb 0.32 0.14 -0.10 0.00 -1.39 0.00 0.00 29.97 28.94 2jfb h ARG 42 CO -0.26 1.25 -0.01 -0.07 2.80 0.00 0.00 179.97 183.67 2jfb h LEU 43 N 0.47 -0.30 -1.43 3.80 4.07 -0.70 -1.00 115.31 120.22 2jfb h LEU 43 Ca -0.06 0.15 -0.06 0.00 0.08 0.00 0.00 57.88 57.99 2jfb h LEU 43 Cb 1.42 0.28 -0.01 0.00 1.08 0.00 0.00 40.66 43.43 2jfb h LEU 43 CO 0.16 -0.12 -0.28 1.56 -1.08 0.00 0.00 178.44 178.68 2jfb h GLN 44 N 0.11 0.00 0.00 1.13 4.20 -1.28 -1.87 115.11 117.39 2jfb h GLN 44 Ca 0.32 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.92 2jfb h GLN 44 Cb 0.51 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2jfb h GLN 44 CO -0.53 0.28 -0.48 0.93 -0.67 0.00 0.00 178.83 178.36 2jfb h GLU 45 N 0.00 0.00 -0.05 1.46 5.08 -0.90 -2.42 114.58 117.75 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 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2jfb h GLU 45 CO 0.04 0.48 0.00 1.19 -1.00 0.00 0.00 179.01 179.72 2jfb n PHE 46 N -3.87 0.05 0.00 4.33 3.01 -0.79 -4.92 117.46 115.27 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 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 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 1.06 0.47 3.71 1.37 0.00 -0.91 -0.28 105.19 110.61 2jfb n GLY 47 Ca 0.19 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 2.75 0.44 1.61 1.01 -0.75 -3.56 120.40 119.90 2jfb s VAL 48 Ca 0.00 0.47 -0.22 0.00 0.00 0.00 0.00 61.98 62.23 2jfb s VAL 48 Cb 0.00 -3.30 -0.09 0.00 0.00 0.00 0.00 36.38 32.99 2jfb s VAL 48 CO 0.00 0.03 1.05 -0.54 0.00 0.00 0.00 175.10 175.63 2jfb s LYS 49 N 1.51 4.00 0.40 2.72 1.02 -1.26 -4.14 119.74 123.99 2jfb s LYS 49 Ca 0.71 1.45 0.07 0.00 0.02 0.00 0.00 55.97 58.21 2jfb s LYS 49 Cb -0.43 -2.34 0.82 0.00 -0.52 0.00 0.00 37.83 35.36 2jfb s LYS 49 CO 0.31 -0.28 2.03 0.93 -0.92 0.00 0.00 175.35 177.43 2jfb h GLU 50 N 2.07 0.54 0.00 1.68 5.08 -1.95 -0.80 114.58 121.21 2jfb h GLU 50 Ca -0.49 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2jfb h GLU 50 Cb 1.22 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2jfb h GLU 50 CO 0.61 0.39 0.00 1.05 -1.00 0.00 0.00 179.01 180.06 2jfb h GLU 51 N 0.55 0.00 -0.26 2.33 4.11 -2.01 -2.97 114.58 116.34 2jfb h GLU 51 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 2jfb h GLU 51 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2jfb h GLU 51 CO -0.03 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.14 2jfb n ASN 52 N -3.03 2.99 -4.40 3.06 3.02 -0.32 -4.78 115.26 111.79 2jfb n ASN 52 Ca -0.01 -1.88 -0.44 0.00 -0.03 0.00 0.00 54.58 52.23 2jfb n ASN 52 Cb 0.22 -0.16 -0.08 0.00 -0.61 0.00 0.00 39.78 39.15 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 -1.35 5.23 -0.27 2.41 1.01 -1.12 -1.25 121.20 125.85 2jfb s ILE 53 Ca 0.29 -0.96 -0.10 0.00 0.00 0.00 0.00 60.65 59.88 2jfb s ILE 53 Cb 0.18 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 2jfb s ILE 53 CO 0.25 -0.53 0.15 -0.63 0.00 0.00 0.00 174.94 174.18 2jfb s ILE 54 N 1.68 4.99 -0.17 2.92 -1.09 -0.56 -4.99 121.20 123.98 2jfb s ILE 54 Ca 0.05 0.04 -0.07 0.00 -2.23 0.00 0.00 60.65 58.44 2jfb s ILE 54 Cb -0.23 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 2jfb s ILE 54 CO 0.07 0.26 0.04 -0.63 -1.23 0.00 0.00 174.94 173.46 2jfb s ILE 55 N 1.71 4.61 0.05 2.92 -1.09 -1.26 -0.23 121.20 127.91 2jfb s ILE 55 Ca 0.07 -0.10 -0.02 0.00 -2.23 0.00 0.00 60.65 58.37 2jfb s ILE 55 Cb -0.16 -3.06 -0.03 0.00 -1.58 0.00 0.00 42.46 37.63 2jfb s ILE 55 CO 0.09 0.47 -0.00 -0.70 -1.23 0.00 0.00 174.94 173.57 2jfb s GLU 56 N 0.30 0.60 0.15 2.79 2.56 0.08 -4.99 118.70 120.20 2jfb s GLU 56 Ca 0.02 -1.10 0.10 0.00 0.00 0.00 0.00 54.97 53.99 2jfb s GLU 56 Cb -0.13 0.21 -0.04 0.00 2.00 0.00 0.00 34.13 36.18 2jfb s GLU 56 CO 0.01 -0.12 -0.22 0.95 -0.56 0.00 0.00 175.26 175.31 2jfb s THR 57 N -3.58 2.06 0.16 -1.70 -4.23 -1.26 -1.15 115.64 105.94 2jfb s THR 57 Ca 0.04 -1.85 0.03 0.00 -1.18 0.00 0.00 61.69 58.73 2jfb s THR 57 Cb 0.05 -1.91 -0.05 0.00 1.34 0.00 0.00 72.50 71.94 2jfb s THR 57 CO -0.09 -0.12 -0.05 0.68 -0.54 0.00 0.00 174.62 174.50 2jfb s VAL 58 N -1.55 0.92 0.06 2.29 -7.23 -0.46 -4.89 120.40 109.55 2jfb s VAL 58 Ca 0.15 -2.01 -0.31 0.00 -1.81 0.00 0.00 61.98 58.00 2jfb s VAL 58 Cb -0.08 -1.97 -0.18 0.00 0.56 0.00 0.00 36.38 34.71 2jfb s VAL 58 CO 0.07 -0.63 1.52 -0.65 -0.31 0.00 0.00 175.10 175.10 2jfb h PRO 59 N 2.74 -0.77 -4.97 4.82 0.11 -1.94 -2.58 132.00 129.41 2jfb h PRO 59 Ca -0.37 0.05 -0.44 0.00 0.11 0.00 0.00 66.00 65.35 2jfb h PRO 59 Cb 1.19 0.17 -0.14 0.00 0.11 0.00 0.00 31.00 32.34 2jfb h PRO 59 CO 0.64 -0.48 -0.57 0.20 -0.21 0.00 0.00 178.00 177.58 2jfb s GLY 60 N -2.21 2.12 0.50 -0.55 0.00 -1.26 -1.18 107.32 104.74 2jfb s GLY 60 Ca -0.17 -1.72 0.20 0.00 0.00 0.00 0.00 44.72 43.04 2jfb s GLY 60 CO 0.59 -1.67 2.09 1.76 0.00 0.00 0.00 173.10 175.87 2jfb h SER 61 N 2.14 0.00 0.23 1.64 0.02 -1.93 -1.51 113.55 114.14 2jfb h SER 61 Ca -0.36 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.55 2jfb h SER 61 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 2jfb h SER 61 CO 0.57 0.10 -0.21 0.15 -1.14 0.00 0.00 176.83 176.30 2jfb h PHE 62 N 0.00 0.00 -0.00 3.45 3.57 -1.97 -2.44 116.94 119.56 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 0.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.93 2jfb h PHE 62 CO 0.00 0.21 -0.10 0.39 -2.23 0.00 0.00 178.31 176.58 2jfb n GLU 63 N -4.24 0.37 -0.01 1.11 4.71 -0.57 -4.23 120.64 117.78 2jfb n GLU 63 Ca -0.02 -0.09 -0.12 0.00 -0.01 0.00 0.00 57.16 56.92 2jfb n GLU 63 Cb 0.27 -1.50 -0.06 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 0.22 0.13 0.42 -4.62 3.38 -1.44 -0.79 115.31 112.60 2jfb h LEU 64 Ca 0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 2jfb h LEU 64 Cb 0.39 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2jfb h LEU 64 CO 0.00 0.26 -0.20 -0.65 0.09 0.00 0.00 178.44 177.94 2jfb h PRO 65 N -0.02 -0.55 -0.04 1.13 0.11 -1.77 0.12 132.00 130.99 2jfb h PRO 65 Ca 0.03 0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.05 2jfb h PRO 65 Cb 0.18 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 2jfb h PRO 65 CO -0.00 -0.33 -0.58 -0.92 -0.21 0.00 0.00 178.00 175.96 2jfb h TYR 66 N -0.62 0.14 -0.99 0.65 3.20 -1.83 -2.58 116.97 114.94 2jfb h TYR 66 Ca -0.06 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.76 2jfb h TYR 66 Cb 0.47 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.66 2jfb h TYR 66 CO -0.03 0.66 0.64 0.78 -1.64 0.00 0.00 178.16 178.57 2jfb h GLY 67 N 1.59 1.41 1.03 1.82 0.00 -1.08 -1.01 103.07 106.83 2jfb h GLY 67 Ca -0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 2jfb h GLY 67 CO 0.08 0.53 0.42 1.76 0.00 0.00 0.00 176.54 179.34 2jfb h SER 68 N 1.35 1.09 -0.19 0.19 0.02 -0.43 -0.31 113.55 115.28 2jfb h SER 68 Ca 0.36 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2jfb h SER 68 Cb -0.13 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.13 2jfb h SER 68 CO -0.07 0.91 0.03 0.50 -1.14 0.00 0.00 176.83 177.05 2jfb h LYS 69 N 1.19 0.31 -0.10 3.45 3.11 -1.05 -0.40 116.57 123.09 2jfb h LYS 69 Ca 0.29 -0.08 -0.08 0.00 -2.81 0.00 0.00 60.65 57.97 2jfb h LYS 69 Cb 0.09 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.27 2jfb h LYS 69 CO -0.04 0.47 -0.31 -0.07 -2.81 0.00 0.00 179.45 176.68 2jfb h LEU 70 N 0.10 0.19 -0.19 5.20 3.38 -1.11 -1.63 115.31 121.25 2jfb h LEU 70 Ca 0.06 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2jfb h LEU 70 Cb 0.31 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2jfb h LEU 70 CO 0.00 0.50 -0.18 0.15 0.09 0.00 0.00 178.44 179.01 2jfb h PHE 71 N 0.17 0.54 -0.55 1.13 3.57 -0.89 -1.90 116.94 119.01 2jfb h PHE 71 Ca 0.02 -0.16 -0.03 0.00 3.53 0.00 0.00 57.97 61.34 2jfb h PHE 71 Cb 0.64 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 2jfb h PHE 71 CO 0.01 0.81 0.24 0.28 -2.23 0.00 0.00 178.31 177.42 2jfb h VAL 72 N 0.12 1.21 0.00 1.41 2.07 -0.90 -2.36 116.25 117.79 2jfb h VAL 72 Ca 0.03 -0.62 -0.09 0.00 0.82 0.00 0.00 66.70 66.84 2jfb h VAL 72 Cb 0.71 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2jfb h VAL 72 CO 0.04 0.24 -0.41 -0.33 0.02 0.00 0.00 177.57 177.14 2jfb h GLU 73 N 0.74 0.00 -0.22 1.57 4.39 -1.33 -2.67 114.58 117.06 2jfb h GLU 73 Ca 0.19 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.80 2jfb h GLU 73 Cb 0.15 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2jfb h GLU 73 CO -0.02 0.41 -0.19 -0.22 -1.16 0.00 0.00 179.01 177.83 2jfb h LYS 74 N 0.00 0.52 -0.25 2.33 3.64 -1.12 -2.79 116.57 118.91 2jfb h LYS 74 Ca -0.00 -0.26 -0.07 0.00 -1.27 0.00 0.00 60.65 59.05 2jfb h LYS 74 Cb 0.85 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 2jfb h LYS 74 CO 0.05 0.84 -0.14 1.96 -2.27 0.00 0.00 179.45 179.89 2jfb h GLN 75 N 0.22 0.42 -0.38 1.90 1.08 -1.33 -1.38 115.11 115.63 2jfb h GLN 75 Ca 0.04 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 2jfb h GLN 75 Cb 0.72 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.09 2jfb h GLN 75 CO 0.05 0.56 0.10 0.87 -0.95 0.00 0.00 178.83 179.46 2jfb h LYS 76 N 0.39 0.60 0.00 1.46 1.57 -1.50 0.12 116.57 119.22 2jfb h LYS 76 Ca 0.07 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 2jfb h LYS 76 Cb 0.48 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2jfb h LYS 76 CO 0.03 0.62 -0.27 0.00 -0.57 0.00 0.00 179.45 179.26 2jfb h ARG 77 N 0.47 0.00 0.00 3.15 3.08 -1.18 -1.73 114.38 118.17 2jfb h ARG 77 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2jfb h ARG 77 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2jfb h ARG 77 CO -0.00 0.27 0.00 1.28 -1.07 0.00 0.00 179.97 180.45 2jfb n LEU 78 N -3.79 0.82 0.00 3.04 4.32 -0.55 -4.93 117.00 115.91 2jfb n LEU 78 Ca -0.01 0.59 0.00 0.00 -0.02 0.00 0.00 56.01 56.56 2jfb n LEU 78 Cb 0.37 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 2jfb n LEU 78 CO 0.35 -0.23 0.00 0.61 -1.22 0.00 0.00 177.39 176.90 2jfb n GLY 79 N 1.17 0.47 2.39 -0.72 0.00 -0.65 -4.99 105.19 102.86 2jfb n GLY 79 Ca 0.05 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.90 2.10 -2.18 1.61 4.76 0.38 -5.01 118.16 116.92 2jfb n LYS 80 Ca 0.00 -4.35 -0.39 0.00 -2.87 0.00 0.00 58.31 50.69 2jfb n LYS 80 Cb 0.00 -2.04 -0.02 0.00 -1.84 0.00 0.00 35.03 31.14 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 -2.14 4.15 0.18 1.97 0.04 -1.21 -4.44 135.00 133.54 2jfb s PRO 81 Ca 0.38 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 63.16 2jfb s PRO 81 Cb 0.14 -2.84 -0.07 0.00 0.04 0.00 0.00 34.50 31.77 2jfb s PRO 81 CO -0.04 -0.30 0.95 -0.51 0.04 0.00 0.00 177.00 177.14 2jfb s LEU 82 N -2.21 4.57 0.13 -3.56 1.43 -1.26 -4.73 118.68 113.05 2jfb s LEU 82 Ca 0.54 1.88 0.17 0.00 -1.03 0.00 0.00 54.13 55.68 2jfb s LEU 82 Cb -0.36 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.19 2jfb s LEU 82 CO 0.46 0.04 1.01 0.44 0.23 0.00 0.00 176.35 178.53 2jfb h ASP 83 N 4.86 0.00 -4.97 2.29 3.32 -1.30 -3.48 116.42 117.13 2jfb h ASP 83 Ca -0.44 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 2jfb h ASP 83 Cb 1.21 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.63 2jfb h ASP 83 CO 0.70 0.51 0.23 0.00 -1.72 0.00 0.00 179.24 178.96 2jfb s ALA 84 N -2.97 -1.62 -0.00 3.45 0.00 -1.24 -4.20 121.76 115.18 2jfb s ALA 84 Ca -0.01 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.50 2jfb s ALA 84 Cb 0.08 0.86 -0.00 0.00 0.00 0.00 0.00 23.12 24.05 2jfb s ALA 84 CO 0.79 -0.76 -0.05 -1.50 0.00 0.00 0.00 175.76 174.23 2jfb s ILE 85 N -3.70 0.43 -0.51 0.00 2.07 -0.57 -1.31 121.20 117.60 2jfb s ILE 85 Ca 0.01 -0.25 0.02 0.00 -1.41 0.00 0.00 60.65 59.03 2jfb s ILE 85 Cb -0.01 -0.37 0.13 0.00 0.13 0.00 0.00 42.46 42.34 2jfb s ILE 85 CO -0.13 0.11 0.26 -0.63 -1.91 0.00 0.00 174.94 172.64 2jfb s ILE 86 N -0.15 2.78 -0.09 2.00 1.01 0.12 -1.41 121.20 125.46 2jfb s ILE 86 Ca 0.02 -3.04 -0.30 0.00 0.00 0.00 0.00 60.65 57.33 2jfb s ILE 86 Cb -0.02 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 2jfb s ILE 86 CO -0.00 -0.78 1.44 -2.84 0.00 0.00 0.00 174.94 172.76 2jfb s PRO 87 N 0.01 4.22 -0.14 2.79 0.02 -1.24 -2.17 135.00 138.49 2jfb s PRO 87 Ca 0.16 1.92 0.01 0.00 0.02 0.00 0.00 61.00 63.11 2jfb s PRO 87 Cb -0.24 -3.81 0.00 0.00 0.02 0.00 0.00 34.50 30.47 2jfb s PRO 87 CO -0.02 -0.73 -0.18 0.42 -0.33 0.00 0.00 177.00 176.15 2jfb s ILE 88 N 3.49 2.42 0.09 2.83 1.01 0.17 -1.83 121.20 129.38 2jfb s ILE 88 Ca 0.64 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 60.35 2jfb s ILE 88 Cb -0.28 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.19 2jfb s ILE 88 CO 0.23 0.53 0.15 -0.83 0.00 0.00 0.00 174.94 175.02 2jfb s GLY 89 N 0.70 0.21 -0.11 6.18 0.00 -0.74 -0.77 107.32 112.80 2jfb s GLY 89 Ca -0.08 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 43.87 2jfb s GLY 89 CO 0.01 -0.92 -0.10 0.14 0.00 0.00 0.00 173.10 172.24 2jfb s VAL 90 N -3.88 1.14 -0.17 1.40 1.01 -1.26 -1.47 120.40 117.16 2jfb s VAL 90 Ca 0.06 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2jfb s VAL 90 Cb 0.05 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.34 2jfb s VAL 90 CO -0.10 0.38 -0.19 -0.76 0.00 0.00 0.00 175.10 174.43 2jfb s LEU 91 N 1.47 2.04 -0.13 3.92 1.43 0.24 -4.82 118.68 122.82 2jfb s LEU 91 Ca 0.01 -0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 52.48 2jfb s LEU 91 Cb -0.13 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 2jfb s LEU 91 CO -0.06 0.00 -0.06 -0.63 0.23 0.00 0.00 176.35 175.83 2jfb s ILE 92 N 1.24 3.70 0.05 -0.59 -1.09 -1.26 -0.87 121.20 122.38 2jfb s ILE 92 Ca 0.03 -0.44 -0.30 0.00 -2.23 0.00 0.00 60.65 57.71 2jfb s ILE 92 Cb -0.13 -2.59 -0.09 0.00 -1.58 0.00 0.00 42.46 38.07 2jfb s ILE 92 CO -0.11 0.52 1.94 -0.75 -1.23 0.00 0.00 174.94 175.32 2jfb s LYS 93 N 0.11 4.14 0.00 2.79 2.47 -0.52 -4.88 119.74 123.86 2jfb s LYS 93 Ca -0.02 2.61 0.00 0.00 -1.56 0.00 0.00 55.97 57.00 2jfb s LYS 93 Cb -0.14 -4.07 0.00 0.00 -1.46 0.00 0.00 37.83 32.16 2jfb s LYS 93 CO 0.03 -0.94 0.00 0.41 0.16 0.00 0.00 175.35 175.01 2jfb n GLY 94 N 4.49 1.69 0.04 5.54 0.00 -1.26 -4.89 105.19 110.79 2jfb n GLY 94 Ca 0.20 -1.70 0.09 0.00 0.00 0.00 0.00 46.02 44.60 2jfb n GLY 94 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jfb n SER 95 N 0.00 0.19 -3.52 1.61 7.64 -1.26 -4.98 113.62 113.29 2jfb n SER 95 Ca 0.00 0.07 -0.11 0.00 1.01 0.00 0.00 58.87 59.84 2jfb n SER 95 Cb 0.00 1.56 0.02 0.00 -1.01 0.00 0.00 64.21 64.79 2jfb n SER 95 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2jfb n THR 96 N -2.40 0.00 1.53 0.44 -2.24 -1.26 -5.01 114.28 105.33 2jfb n THR 96 Ca -0.06 -1.06 0.12 0.00 -2.27 0.00 0.00 64.05 60.78 2jfb n THR 96 Cb 0.62 -0.57 0.51 0.00 -2.10 0.00 0.00 70.33 68.80 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 -1.49 1.50 -0.30 -0.78 0.00 -1.26 -4.24 117.12 110.54 2jfb n MET 97 Ca 0.05 -0.74 0.08 0.00 0.00 0.00 0.00 57.70 57.09 2jfb n MET 97 Cb 0.32 -1.41 0.23 0.00 0.00 0.00 0.00 33.22 32.36 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 1.59 0.79 -0.29 2.03 -0.00 -1.98 -1.42 115.15 115.86 2jfb h HIS 98 Ca 0.00 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.47 2jfb h HIS 98 Cb 0.34 -0.22 -0.06 0.00 -0.00 0.00 0.00 27.41 27.47 2jfb h HIS 98 CO 0.05 0.18 -0.11 0.35 -0.00 0.00 0.00 177.93 178.40 2jfb h PHE 99 N 0.63 -0.26 -0.54 5.26 3.57 -1.90 -2.41 116.94 121.28 2jfb h PHE 99 Ca 0.47 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.93 2jfb h PHE 99 Cb 0.67 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 2jfb h PHE 99 CO -0.09 -0.18 0.05 0.93 -2.23 0.00 0.00 178.31 176.80 2jfb h GLU 100 N -0.06 0.93 0.00 1.11 3.07 -1.57 -1.93 114.58 116.13 2jfb h GLU 100 Ca 0.15 -0.27 -0.19 0.00 -0.50 0.00 0.00 59.36 58.55 2jfb h GLU 100 Cb 0.28 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 2jfb h GLU 100 CO -0.33 0.92 -0.92 1.88 -1.40 0.00 0.00 179.01 179.15 2jfb h TYR 101 N 0.81 0.00 -0.06 4.33 0.05 -1.48 -1.66 116.97 118.95 2jfb h TYR 101 Ca 0.16 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.92 2jfb h TYR 101 Cb 0.47 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.20 2jfb h TYR 101 CO 0.03 0.89 -0.03 0.82 -1.05 0.00 0.00 178.16 178.82 2jfb h ILE 102 N 0.00 1.33 -0.07 -2.88 1.08 -1.42 -2.45 117.51 113.11 2jfb h ILE 102 Ca -0.02 -1.06 0.03 0.00 -0.39 0.00 0.00 64.86 63.42 2jfb h ILE 102 Cb 1.70 1.91 -0.04 0.00 -3.07 0.00 0.00 36.82 37.32 2jfb h ILE 102 CO 0.11 0.29 -0.14 0.00 -0.69 0.00 0.00 178.15 177.72 2jfb h ASP 104 N -0.20 -0.41 -0.37 0.00 3.58 -1.35 -1.50 116.42 116.17 2jfb h ASP 104 Ca 0.07 0.03 -0.15 0.00 0.42 0.00 0.00 57.03 57.40 2jfb h ASP 104 Cb 0.30 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 2jfb h ASP 104 CO -0.19 -0.25 -0.35 0.77 -2.88 0.00 0.00 179.24 176.34 2jfb h SER 105 N -0.38 0.96 -0.40 2.28 4.64 -1.42 -2.76 113.55 116.47 2jfb h SER 105 Ca -0.01 -0.46 -0.02 0.00 -0.47 0.00 0.00 61.79 60.82 2jfb h SER 105 Cb 0.33 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 2jfb h SER 105 CO -0.00 1.22 0.17 0.74 -0.87 0.00 0.00 176.83 178.09 2jfb h THR 106 N 0.71 1.19 -0.27 2.95 2.02 -1.17 -2.60 112.91 115.74 2jfb h THR 106 Ca 0.06 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 2jfb h THR 106 Cb 0.94 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 2jfb h THR 106 CO 0.09 0.21 0.12 0.74 0.37 0.00 0.00 175.52 177.05 2jfb h THR 107 N 0.50 1.16 -0.75 3.16 2.02 -1.24 -0.67 112.91 117.08 2jfb h THR 107 Ca 0.13 -0.47 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 2jfb h THR 107 Cb 0.17 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2jfb h THR 107 CO -0.01 0.16 0.33 0.45 0.37 0.00 0.00 175.52 176.82 2jfb h HIS 108 N 0.29 1.09 -0.01 3.16 3.86 -1.49 -1.58 115.15 120.49 2jfb h HIS 108 Ca 0.09 -0.06 -0.22 0.00 -1.16 0.00 0.00 60.37 59.02 2jfb h HIS 108 Cb 0.15 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.28 2jfb h HIS 108 CO -0.01 0.81 -0.92 1.96 0.86 0.00 0.00 177.93 180.63 2jfb h GLN 109 N 1.07 0.39 -0.53 2.45 1.08 -1.29 -1.42 115.11 116.87 2jfb h GLN 109 Ca 0.26 -0.41 -0.09 0.00 -1.45 0.00 0.00 58.65 56.95 2jfb h GLN 109 Cb 0.15 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 2jfb h GLN 109 CO -0.03 1.08 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.83 2jfb h LEU 110 N 0.22 0.90 -0.23 1.46 3.38 -0.99 0.02 115.31 120.08 2jfb h LEU 110 Ca -0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 2jfb h LEU 110 Cb 1.55 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 2jfb h LEU 110 CO 0.16 0.98 0.09 -0.03 0.09 0.00 0.00 178.44 179.73 2jfb h MET 111 N 0.85 0.34 0.00 1.13 4.05 -1.27 -2.99 114.93 117.04 2jfb h MET 111 Ca 0.15 -0.06 -0.05 0.00 -0.28 0.00 0.00 59.70 59.46 2jfb h MET 111 Cb 0.54 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.28 2jfb h MET 111 CO 0.03 0.40 -0.25 -0.22 0.23 0.00 0.00 176.91 177.10 2jfb h LYS 112 N 0.21 0.00 0.00 0.39 3.64 -1.06 -3.11 116.57 116.64 2jfb h LYS 112 Ca 0.08 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 2jfb h LYS 112 Cb 0.18 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2jfb h LYS 112 CO -0.01 0.25 -0.16 1.25 -2.27 0.00 0.00 179.45 178.51 2jfb h LEU 113 N 0.00 0.00 -0.89 5.20 5.85 -0.83 -2.33 115.31 122.31 2jfb h LEU 113 Ca -0.00 0.00 0.18 0.00 0.84 0.00 0.00 57.88 58.90 2jfb h LEU 113 Cb 0.52 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.44 2jfb h LEU 113 CO 0.03 0.16 0.45 0.78 -0.34 0.00 0.00 178.44 179.52 2jfb h ASN 114 N 0.00 0.50 0.21 1.25 2.35 -1.61 -0.33 115.58 117.95 2jfb h ASN 114 Ca -0.00 0.12 -0.35 0.00 -0.55 0.00 0.00 56.30 55.51 2jfb h ASN 114 Cb 0.42 0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.84 2jfb h ASN 114 CO 0.02 0.15 -1.75 -0.26 -1.65 0.00 0.00 177.43 173.94 2jfb h PHE 115 N 0.56 0.70 -0.27 1.19 -1.00 -1.65 -2.55 116.94 113.92 2jfb h PHE 115 Ca 0.52 -0.51 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 2jfb h PHE 115 Cb 0.85 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.37 2jfb h PHE 115 CO -0.09 1.67 0.00 0.93 -1.61 0.00 0.00 178.31 179.21 2jfb h GLU 116 N 0.11 0.48 0.00 1.51 5.08 -1.38 -3.21 114.58 117.16 2jfb h GLU 116 Ca -0.34 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 57.83 2jfb h GLU 116 Cb 2.10 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.30 2jfb h GLU 116 CO 0.18 0.64 -0.35 -0.07 -1.00 0.00 0.00 179.01 178.40 2jfb h LEU 117 N 0.26 0.00 0.17 1.33 3.38 -1.21 -3.48 115.31 115.77 2jfb h LEU 117 Ca 0.08 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2jfb h LEU 117 Cb 0.42 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2jfb h LEU 117 CO 0.01 0.15 -0.07 0.61 0.09 0.00 0.00 178.44 179.24 2jfb n GLY 118 N 1.16 0.64 3.16 0.83 0.00 -0.97 -5.02 105.19 104.99 2jfb n GLY 118 Ca 0.02 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.98 0.88 0.21 -0.61 -4.36 -1.20 -5.04 121.20 109.11 2jfb s ILE 119 Ca 0.00 -1.56 -0.32 0.00 -0.26 0.00 0.00 60.65 58.51 2jfb s ILE 119 Cb 0.00 -1.26 -0.13 0.00 1.25 0.00 0.00 42.46 42.32 2jfb s ILE 119 CO 0.00 -0.53 1.56 -2.65 0.24 0.00 0.00 174.94 173.56 2jfb n PRO 120 N 0.70 2.31 -4.04 0.37 -0.02 -1.26 -4.41 135.00 128.65 2jfb n PRO 120 Ca -0.17 0.83 -0.33 0.00 -2.02 0.00 0.00 63.50 61.81 2jfb n PRO 120 Cb 0.57 -2.58 -0.15 0.00 -0.02 0.00 0.00 33.50 31.32 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 0.55 2.36 -0.21 -1.45 1.01 -1.26 -1.52 120.40 119.89 2jfb s VAL 121 Ca 0.73 -1.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.06 2jfb s VAL 121 Cb -0.61 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2jfb s VAL 121 CO 0.42 0.03 0.46 -0.63 0.00 0.00 0.00 175.10 175.37 2jfb s ILE 122 N 1.16 5.15 -0.63 2.22 -1.09 -0.50 -4.90 121.20 122.61 2jfb s ILE 122 Ca -0.06 0.82 -0.26 0.00 -2.23 0.00 0.00 60.65 58.92 2jfb s ILE 122 Cb -0.19 -3.78 -0.03 0.00 -1.58 0.00 0.00 42.46 36.88 2jfb s ILE 122 CO -0.05 0.20 1.91 0.12 -1.23 0.00 0.00 174.94 175.90 2jfb s PHE 123 N 1.56 1.62 -0.44 3.97 5.36 -1.26 -3.62 117.98 125.18 2jfb s PHE 123 Ca 0.21 0.84 0.04 0.00 -0.96 0.00 0.00 56.93 57.06 2jfb s PHE 123 Cb -0.15 -4.04 0.49 0.00 -0.34 0.00 0.00 43.02 38.97 2jfb s PHE 123 CO 0.09 -2.27 1.63 0.41 -1.46 0.00 0.00 175.22 173.62 2jfb n GLY 124 N 5.83 5.67 3.37 13.12 0.00 -0.76 -4.97 105.19 127.46 2jfb n GLY 124 Ca 0.24 -2.04 -0.36 0.00 0.00 0.00 0.00 46.02 43.86 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 -4.23 3.95 0.06 1.61 1.01 -1.26 -1.78 120.40 119.76 2jfb s VAL 125 Ca 0.55 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.80 2jfb s VAL 125 Cb 0.45 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 2jfb s VAL 125 CO 0.02 0.26 0.92 -0.76 0.00 0.00 0.00 175.10 175.54 2jfb s LEU 126 N 1.54 4.45 -0.64 3.92 1.43 -0.54 -4.96 118.68 123.87 2jfb s LEU 126 Ca 0.05 1.67 0.05 0.00 -1.03 0.00 0.00 54.13 54.87 2jfb s LEU 126 Cb -0.16 -3.50 0.18 0.00 0.03 0.00 0.00 46.19 42.74 2jfb s LEU 126 CO 0.01 -0.10 0.49 0.35 0.23 0.00 0.00 176.35 177.33 2jfb n THR 127 N 3.12 1.11 -3.82 5.49 -2.24 -1.26 -0.59 114.28 116.09 2jfb n THR 127 Ca 0.02 -4.61 -0.21 0.00 -2.27 0.00 0.00 64.05 56.98 2jfb n THR 127 Cb 0.50 -2.08 -0.04 0.00 -2.10 0.00 0.00 70.33 66.61 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 -1.37 0.00 -4.32 0.00 4.77 -1.26 -1.44 117.00 113.38 2jfb n LEU 129 Ca -0.01 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.77 2jfb n LEU 129 Cb 0.60 0.46 -0.11 0.00 -2.33 0.00 0.00 43.42 42.04 2jfb n LEU 129 CO 0.42 0.46 -0.46 0.42 -1.33 0.00 0.00 177.39 176.91 2jfb s THR 130 N -2.55 1.70 0.31 -5.08 -4.23 -1.26 -4.28 115.64 100.25 2jfb s THR 130 Ca -0.10 -2.04 -0.00 0.00 -1.18 0.00 0.00 61.69 58.37 2jfb s THR 130 Cb 0.06 -1.90 0.24 0.00 1.34 0.00 0.00 72.50 72.25 2jfb s THR 130 CO 0.82 -0.47 1.96 0.44 -0.54 0.00 0.00 174.62 176.82 2jfb h ASP 131 N 2.94 0.83 -0.99 3.99 5.19 -1.96 -2.74 116.42 123.68 2jfb h ASP 131 Ca -0.40 -0.05 0.02 0.00 -0.62 0.00 0.00 57.03 55.99 2jfb h ASP 131 Cb 1.21 -0.21 -0.05 0.00 0.18 0.00 0.00 39.33 40.46 2jfb h ASP 131 CO 0.57 0.64 0.65 -0.08 -3.12 0.00 0.00 179.24 177.90 2jfb h GLU 132 N 0.96 1.27 -0.77 3.56 4.22 -1.99 -1.84 114.58 119.99 2jfb h GLU 132 Ca 0.25 -0.08 -0.05 0.00 0.08 0.00 0.00 59.36 59.56 2jfb h GLU 132 Cb -0.03 -0.29 -0.03 0.00 0.50 0.00 0.00 28.75 28.90 2jfb h GLU 132 CO -0.05 0.84 0.27 1.96 -2.18 0.00 0.00 179.01 179.85 2jfb h GLN 133 N 1.31 1.17 -0.20 1.92 4.20 -1.90 -0.91 115.11 120.69 2jfb h GLN 133 Ca 0.37 -0.23 -0.17 0.00 0.06 0.00 0.00 58.65 58.68 2jfb h GLN 133 Cb -0.09 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.50 2jfb h GLN 133 CO -0.10 0.98 -0.57 0.00 -0.67 0.00 0.00 178.83 178.47 2jfb h ALA 134 N 1.15 0.61 -0.43 3.87 0.00 -1.44 -2.61 119.26 120.41 2jfb h ALA 134 Ca 0.25 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2jfb h ALA 134 Cb 0.27 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2jfb h ALA 134 CO -0.01 0.69 0.19 0.93 0.00 0.00 0.00 179.25 181.05 2jfb h GLU 135 N 0.49 0.64 -0.46 0.00 5.08 -1.16 -2.49 114.58 116.68 2jfb h GLU 135 Ca 0.00 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 2jfb h GLU 135 Cb 1.14 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 2jfb h GLU 135 CO 0.11 0.57 0.09 0.00 -1.00 0.00 0.00 179.01 178.79 2jfb h ALA 136 N 1.03 1.30 -0.01 3.43 0.00 -1.14 0.42 119.26 124.31 2jfb h ALA 136 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2jfb h ALA 136 Cb 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2jfb h ALA 136 CO -0.01 0.49 -0.03 0.54 0.00 0.00 0.00 179.25 180.24 2jfb n ARG 137 N -4.29 1.15 -0.17 0.00 1.74 -0.99 -2.59 116.66 111.51 2jfb n ARG 137 Ca 0.03 -0.38 0.07 0.00 -0.77 0.00 0.00 57.85 56.80 2jfb n ARG 137 Cb 0.22 -1.49 0.16 0.00 -1.02 0.00 0.00 32.46 30.33 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 -0.60 2.25 -1.20 7.54 0.00 -0.79 -0.47 120.51 127.25 2jfb n ALA 138 Ca 0.20 -1.08 -0.07 0.00 0.00 0.00 0.00 53.44 52.50 2jfb n ALA 138 Cb 0.23 -0.50 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 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 0.71 0.90 0.02 0.00 0.00 -0.99 -4.53 105.19 101.28 2jfb n GLY 139 Ca 0.13 -0.51 0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.79 0.40 -4.58 0.99 4.77 0.07 -4.65 117.00 113.20 2jfb n LEU 140 Ca -0.07 0.24 -0.40 0.00 -0.03 0.00 0.00 56.01 55.75 2jfb n LEU 140 Cb 0.27 -0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 40.94 2jfb n LEU 140 CO 0.11 0.03 0.04 -0.63 -1.33 0.00 0.00 177.39 175.61 2jfb s ILE 141 N -3.03 5.18 0.27 -0.08 -1.09 -1.25 -4.95 121.20 116.25 2jfb s ILE 141 Ca 0.11 0.36 -0.10 0.00 -2.23 0.00 0.00 60.65 58.79 2jfb s ILE 141 Cb 0.17 -3.73 0.41 0.00 -1.58 0.00 0.00 42.46 37.73 2jfb s ILE 141 CO 0.64 0.07 1.56 -0.08 -1.23 0.00 0.00 174.94 175.91 2jfb h GLU 142 N 8.30 -0.00 0.00 2.79 4.57 -1.98 -2.69 114.58 125.57 2jfb h GLU 142 Ca -0.31 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 57.83 2jfb h GLU 142 Cb 1.16 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 2jfb h GLU 142 CO 0.66 -0.00 -1.95 0.41 -1.18 0.00 0.00 179.01 176.94 2jfb n GLY 143 N -1.59 -0.91 3.73 1.92 0.00 -1.26 -4.99 105.19 102.08 2jfb n GLY 143 Ca 0.14 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.27 4.61 2.24 1.61 1.02 -1.01 -4.98 119.74 119.96 2jfb s LYS 144 Ca -0.07 1.55 0.00 0.00 0.02 0.00 0.00 55.97 57.47 2jfb s LYS 144 Cb 0.12 -3.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 2jfb s LYS 144 CO 0.82 0.07 0.00 -1.33 -0.92 0.00 0.00 175.35 173.99 2jfb n MET 145 N 3.03 0.00 -3.97 1.68 2.81 -1.26 -4.71 117.12 114.69 2jfb n MET 145 Ca 0.04 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.83 2jfb n MET 145 Cb 0.48 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.96 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 0.35 -0.49 2.03 -3.43 -1.25 -4.98 115.29 107.53 2jfb s HIS 146 Ca 0.00 -0.75 -0.28 0.00 -0.80 0.00 0.00 55.06 53.24 2jfb s HIS 146 Cb 0.00 0.29 0.03 0.00 -1.43 0.00 0.00 32.58 31.47 2jfb s HIS 146 CO 0.00 -1.11 1.07 1.21 -2.00 0.00 0.00 174.74 173.91 2jfb s ASN 147 N -3.04 6.55 0.62 7.38 3.84 -1.26 -3.38 114.94 125.65 2jfb s ASN 147 Ca 0.21 0.26 0.37 0.00 0.21 0.00 0.00 52.86 53.92 2jfb s ASN 147 Cb -0.02 -2.51 2.05 0.00 -0.55 0.00 0.00 41.25 40.22 2jfb s ASN 147 CO 0.11 -1.22 2.27 0.45 -2.79 0.00 0.00 177.10 175.91 2jfb h HIS 148 N 9.23 0.00 -0.95 0.43 3.86 -1.08 -2.42 115.15 124.23 2jfb h HIS 148 Ca -0.24 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.09 2jfb h HIS 148 Cb 1.07 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.46 2jfb h HIS 148 CO 0.95 0.02 0.60 0.78 0.86 0.00 0.00 177.93 181.14 2jfb h GLY 149 N 0.30 1.44 1.00 2.45 0.00 -1.78 -2.52 103.07 103.95 2jfb h GLY 149 Ca -0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 2jfb h GLY 149 CO 0.00 0.17 0.17 0.83 0.00 0.00 0.00 176.54 177.71 2jfb h GLU 150 N 0.90 0.89 -0.79 4.80 5.08 -1.46 -2.69 114.58 121.31 2jfb h GLU 150 Ca 0.46 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.65 2jfb h GLU 150 Cb 0.50 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 2jfb h GLU 150 CO -0.22 0.81 0.52 -0.44 -1.00 0.00 0.00 179.01 178.67 2jfb h ASP 151 N 0.80 0.85 -0.38 1.42 3.32 -1.60 -2.42 116.42 118.41 2jfb h ASP 151 Ca 0.18 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.06 2jfb h ASP 151 Cb 0.29 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2jfb h ASP 151 CO -0.01 0.59 -0.39 -0.50 -1.72 0.00 0.00 179.24 177.22 2jfb h TRP 152 N 0.99 1.13 -0.46 4.55 6.55 -1.32 -1.34 115.95 126.05 2jfb h TRP 152 Ca 0.31 -0.34 0.02 0.00 0.95 0.00 0.00 58.89 59.83 2jfb h TRP 152 Cb 0.00 -0.24 -0.03 0.00 -0.86 0.00 0.00 29.16 28.03 2jfb h TRP 152 CO -0.00 1.17 0.27 0.78 -1.05 0.00 0.00 178.44 179.62 2jfb h GLY 153 N 0.78 0.65 1.38 1.49 0.00 -1.18 -0.50 103.07 105.68 2jfb h GLY 153 Ca 0.06 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 2jfb h GLY 153 CO 0.10 0.18 0.03 0.00 0.00 0.00 0.00 176.54 176.84 2jfb h ALA 154 N 1.21 1.16 -0.23 3.60 0.00 -1.33 -2.62 119.26 121.05 2jfb h ALA 154 Ca 0.19 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2jfb h ALA 154 Cb 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2jfb h ALA 154 CO -0.09 0.55 0.04 0.00 0.00 0.00 0.00 179.25 179.75 2jfb h ALA 155 N 1.31 0.31 -0.67 0.00 0.00 -0.88 -2.22 119.26 117.10 2jfb h ALA 155 Ca 0.15 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.94 2jfb h ALA 155 Cb 0.40 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 2jfb h ALA 155 CO 0.01 -0.02 0.37 0.00 0.00 0.00 0.00 179.25 179.61 2jfb h ALA 156 N 0.85 0.90 -0.18 0.00 0.00 -0.91 0.43 119.26 120.36 2jfb h ALA 156 Ca 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2jfb h ALA 156 Cb 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2jfb h ALA 156 CO 0.00 0.05 0.00 0.28 0.00 0.00 0.00 179.25 179.59 2jfb h VAL 157 N 0.69 1.25 0.03 0.00 2.07 -1.43 -2.51 116.25 116.35 2jfb h VAL 157 Ca 0.30 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 2jfb h VAL 157 Cb 0.19 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2jfb h VAL 157 CO -0.18 0.26 -0.01 -0.08 0.02 0.00 0.00 177.57 177.57 2jfb h GLU 158 N 0.07 -0.04 -0.04 1.57 4.81 -1.10 -2.92 114.58 116.93 2jfb h GLU 158 Ca 0.05 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2jfb h GLU 158 Cb 0.38 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2jfb h GLU 158 CO 0.01 0.07 -0.24 0.52 -0.73 0.00 0.00 179.01 178.65 2jfb h MET 159 N -0.14 0.06 -0.00 1.92 2.86 -0.96 0.18 114.93 118.85 2jfb h MET 159 Ca -0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2jfb h MET 159 Cb 0.13 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2jfb h MET 159 CO 0.01 0.30 -0.15 0.00 1.06 0.00 0.00 176.91 178.13 2jfb n ALA 160 N -2.49 2.75 0.00 6.32 0.00 -0.95 -4.46 120.51 121.68 2jfb n ALA 160 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2jfb n ALA 160 Cb 0.31 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.41 2jfb n ALA 160 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2jfb n THR 161 N -1.35 0.00 -0.35 0.00 -1.04 -0.87 -4.85 114.28 105.83 2jfb n THR 161 Ca 0.09 0.00 0.24 0.00 -2.04 0.00 0.00 64.05 62.34 2jfb n THR 161 Cb 0.32 -1.02 0.48 0.00 -1.82 0.00 0.00 70.33 68.29 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 0.34 -0.44 -2.82 3.64 -0.88 -1.87 116.57 114.54 2jfb h LYS 162 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2jfb h LYS 162 Cb 0.97 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 2jfb h LYS 162 CO 0.00 0.23 0.00 1.19 -2.27 0.00 0.00 179.45 178.60 2jfb n PHE 163 N -4.92 1.51 0.76 1.91 3.01 -1.26 -5.14 117.46 113.32 2jfb n PHE 163 Ca 0.31 -0.77 0.06 0.00 1.01 0.00 0.00 57.45 58.05 2jfb n PHE 163 Cb 0.98 -0.39 0.36 0.00 -0.01 0.00 0.00 39.48 40.41 2jfb n PHE 163 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86