#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 3.04 -0.23 5.64 1.51 -1.26 -5.10 117.35 120.95 2jfb s TYR 13 Ca 0.00 0.02 -0.05 0.00 -1.01 0.00 0.00 57.07 56.04 2jfb s TYR 13 Cb 0.00 -1.79 -0.01 0.00 -0.11 0.00 0.00 41.96 40.04 2jfb s TYR 13 CO 0.00 0.31 -0.02 0.34 -1.11 0.00 0.00 175.55 175.07 2jfb s ASP 14 N -0.58 4.48 0.00 2.29 3.68 -1.26 -4.93 116.67 120.35 2jfb s ASP 14 Ca 0.09 -0.36 0.17 0.00 2.13 0.00 0.00 52.55 54.59 2jfb s ASP 14 Cb -0.12 -1.78 0.20 0.00 -1.45 0.00 0.00 42.92 39.77 2jfb s ASP 14 CO 0.02 -0.02 1.11 0.61 0.13 0.00 0.00 175.17 177.01 2jfb n GLY 15 N 4.83 0.71 0.28 2.66 0.00 -0.12 -4.65 105.19 108.88 2jfb n GLY 15 Ca -0.18 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 3.33 0.02 0.25 1.61 4.64 -1.67 -1.19 113.55 120.54 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 0.74 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2jfb h SER 16 CO 0.00 0.02 -0.28 0.29 -0.87 0.00 0.00 176.83 175.99 2jfb n LYS 17 N -4.52 0.79 -3.44 4.77 5.02 -1.26 -4.51 118.16 115.01 2jfb n LYS 17 Ca -0.01 -0.47 -0.33 0.00 -2.02 0.00 0.00 58.31 55.49 2jfb n LYS 17 Cb 0.16 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 2jfb n LYS 17 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jfb s LEU 18 N -2.53 4.23 -0.21 -0.35 1.43 -0.45 -5.08 118.68 115.71 2jfb s LEU 18 Ca 0.23 0.91 -0.03 0.00 -1.03 0.00 0.00 54.13 54.21 2jfb s LEU 18 Cb 0.19 -3.50 -0.01 0.00 0.03 0.00 0.00 46.19 42.90 2jfb s LEU 18 CO 0.53 -0.00 -0.07 -0.60 0.23 0.00 0.00 176.35 176.44 2jfb s ARG 19 N -2.55 3.34 -0.14 1.70 3.52 -1.26 -4.62 118.95 118.93 2jfb s ARG 19 Ca 0.44 -0.65 -0.00 0.00 -0.13 0.00 0.00 55.73 55.38 2jfb s ARG 19 Cb -0.12 -2.93 -0.01 0.00 -1.56 0.00 0.00 34.95 30.32 2jfb s ARG 19 CO 0.21 -0.17 -0.13 0.42 -0.81 0.00 0.00 175.30 174.82 2jfb s ILE 20 N 1.38 2.98 -0.12 4.11 -1.09 0.57 -0.42 121.20 128.61 2jfb s ILE 20 Ca 0.05 -0.67 -0.11 0.00 -2.23 0.00 0.00 60.65 57.68 2jfb s ILE 20 Cb -0.14 -2.26 -0.05 0.00 -1.58 0.00 0.00 42.46 38.43 2jfb s ILE 20 CO -0.04 0.51 0.23 -0.83 -1.23 0.00 0.00 174.94 173.58 2jfb s GLY 21 N 0.56 2.22 -0.21 6.18 0.00 -0.77 -1.11 107.32 114.18 2jfb s GLY 21 Ca -0.08 -0.52 0.01 0.00 0.00 0.00 0.00 44.72 44.13 2jfb s GLY 21 CO 0.04 0.01 -0.15 -0.42 0.00 0.00 0.00 173.10 172.57 2jfb s ILE 22 N -0.46 2.25 -0.25 0.90 1.01 0.14 -0.31 121.20 124.49 2jfb s ILE 22 Ca 0.16 -1.13 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 2jfb s ILE 22 Cb -0.13 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.26 2jfb s ILE 22 CO 0.05 0.33 -0.01 -0.22 0.00 0.00 0.00 174.94 175.09 2jfb s LEU 23 N 1.25 3.24 0.05 2.97 2.96 -0.76 -1.11 118.68 127.27 2jfb s LEU 23 Ca 0.01 -0.62 0.07 0.00 -0.22 0.00 0.00 54.13 53.37 2jfb s LEU 23 Cb -0.15 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 2jfb s LEU 23 CO -0.09 -0.10 -0.20 -1.38 -1.32 0.00 0.00 176.35 173.26 2jfb s HIS 24 N 1.44 1.79 0.98 5.38 -3.43 -0.64 0.49 115.29 121.29 2jfb s HIS 24 Ca 0.03 -0.38 -0.13 0.00 -0.80 0.00 0.00 55.06 53.79 2jfb s HIS 24 Cb -0.16 -1.06 0.18 0.00 -1.43 0.00 0.00 32.58 30.11 2jfb s HIS 24 CO -0.02 0.10 1.12 0.00 -2.00 0.00 0.00 174.74 173.94 2jfb s ALA 25 N -0.84 1.28 -0.20 -1.38 0.00 -0.34 -1.35 121.76 118.93 2jfb s ALA 25 Ca 0.07 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 51.59 2jfb s ALA 25 Cb -0.09 -3.05 -0.08 0.00 0.00 0.00 0.00 23.12 19.90 2jfb s ALA 25 CO 0.02 -2.66 0.22 0.54 0.00 0.00 0.00 175.76 173.88 2jfb n ARG 26 N -4.04 3.50 -1.83 0.00 1.74 -0.32 -4.80 116.66 110.90 2jfb n ARG 26 Ca 0.06 -0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.72 2jfb n ARG 26 Cb 0.58 -0.90 0.01 0.00 -1.02 0.00 0.00 32.46 31.13 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 -1.84 2.56 -1.25 -1.55 0.51 -1.14 -3.20 118.94 113.03 2jfb s TRP 27 Ca 0.01 1.24 -0.06 0.00 -2.12 0.00 0.00 56.10 55.16 2jfb s TRP 27 Cb 0.04 -3.94 -0.01 0.00 -0.81 0.00 0.00 33.47 28.75 2jfb s TRP 27 CO 0.25 -2.86 0.71 0.09 -0.51 0.00 0.00 176.95 174.63 2jfb n ASN 28 N 0.16 -2.72 -0.25 2.95 3.02 -1.26 -4.69 115.26 112.47 2jfb n ASN 28 Ca 0.03 -0.89 -0.03 0.00 -0.03 0.00 0.00 54.58 53.66 2jfb n ASN 28 Cb 0.41 -3.87 0.14 0.00 -0.61 0.00 0.00 39.78 35.85 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 -1.79 1.08 -0.31 3.52 9.65 -1.90 -2.12 114.38 122.52 2jfb h ARG 29 Ca -0.63 -0.15 0.04 0.00 -1.10 0.00 0.00 59.98 58.13 2jfb h ARG 29 Cb 1.36 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 29.70 2jfb h ARG 29 CO 0.54 0.84 0.10 -0.22 2.80 0.00 0.00 179.97 184.02 2jfb h LYS 30 N 1.07 0.23 -0.33 0.20 3.64 -1.90 0.72 116.57 120.19 2jfb h LYS 30 Ca 0.26 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.51 2jfb h LYS 30 Cb 0.11 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2jfb h LYS 30 CO -0.03 0.15 -0.27 0.82 -2.27 0.00 0.00 179.45 177.85 2jfb h ILE 31 N 0.24 1.29 -0.34 2.00 2.04 -1.89 -3.03 117.51 117.82 2jfb h ILE 31 Ca 0.14 -1.42 0.06 0.00 1.00 0.00 0.00 64.86 64.64 2jfb h ILE 31 Cb 0.12 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 2jfb h ILE 31 CO -0.15 0.46 0.03 0.40 0.00 0.00 0.00 178.15 178.89 2jfb h ILE 32 N 0.54 0.78 -0.61 -0.67 1.08 -1.10 -2.24 117.51 115.30 2jfb h ILE 32 Ca 0.06 -0.05 0.07 0.00 -0.39 0.00 0.00 64.86 64.56 2jfb h ILE 32 Cb 0.83 0.64 -0.06 0.00 -3.07 0.00 0.00 36.82 35.16 2jfb h ILE 32 CO 0.07 0.02 0.30 0.44 -0.69 0.00 0.00 178.15 178.29 2jfb h ASP 33 N 0.13 0.40 -0.46 1.72 5.19 -0.82 0.05 116.42 122.64 2jfb h ASP 33 Ca 0.16 0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.58 2jfb h ASP 33 Cb 0.21 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.67 2jfb h ASP 33 CO -0.25 0.25 0.16 0.00 -3.12 0.00 0.00 179.24 176.29 2jfb h ALA 34 N 1.36 1.32 -0.14 3.45 0.00 -1.37 -0.94 119.26 122.94 2jfb h ALA 34 Ca 0.29 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2jfb h ALA 34 Cb 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jfb h ALA 34 CO -0.22 0.49 -0.31 -0.07 0.00 0.00 0.00 179.25 179.14 2jfb h LEU 35 N 0.75 0.51 -0.19 0.00 3.38 -0.73 -2.51 115.31 116.52 2jfb h LEU 35 Ca 0.17 -0.57 0.02 0.00 0.09 0.00 0.00 57.88 57.59 2jfb h LEU 35 Cb 0.22 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2jfb h LEU 35 CO -0.01 0.98 0.06 0.58 0.09 0.00 0.00 178.44 180.14 2jfb h VAL 36 N 0.05 0.94 -0.75 1.22 2.07 -0.89 -1.45 116.25 117.43 2jfb h VAL 36 Ca -0.00 -0.05 0.08 0.00 0.82 0.00 0.00 66.70 67.55 2jfb h VAL 36 Cb 0.91 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 2jfb h VAL 36 CO 0.07 0.03 0.43 0.00 0.02 0.00 0.00 177.57 178.11 2jfb h ALA 37 N 1.12 1.04 -0.27 1.67 0.00 -1.19 0.13 119.26 121.76 2jfb h ALA 37 Ca 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2jfb h ALA 37 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jfb h ALA 37 CO -0.09 0.09 0.13 0.78 0.00 0.00 0.00 179.25 180.16 2jfb h GLY 38 N 0.75 0.42 1.01 0.00 0.00 -1.16 0.15 103.07 104.24 2jfb h GLY 38 Ca 0.35 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.48 2jfb h GLY 38 CO -0.21 0.20 0.38 0.00 0.00 0.00 0.00 176.54 176.90 2jfb h ALA 39 N 0.99 0.73 -0.30 3.60 0.00 -0.68 -1.22 119.26 122.38 2jfb h ALA 39 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jfb h ALA 39 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2jfb h ALA 39 CO -0.01 0.17 0.19 0.28 0.00 0.00 0.00 179.25 179.88 2jfb h VAL 40 N 0.78 1.09 -0.16 0.00 2.07 -0.60 -1.85 116.25 117.57 2jfb h VAL 40 Ca 0.21 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.59 2jfb h VAL 40 Cb -0.09 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2jfb h VAL 40 CO -0.05 0.08 -0.06 0.50 0.02 0.00 0.00 177.57 178.07 2jfb h LYS 41 N 0.40 -0.03 -0.56 1.57 3.64 -0.27 -1.44 116.57 119.87 2jfb h LYS 41 Ca 0.11 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 2jfb h LYS 41 Cb -0.03 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2jfb h LYS 41 CO -0.02 -0.02 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.03 2jfb h ARG 42 N -0.03 0.99 -0.56 1.90 9.65 -1.18 -2.42 114.38 122.72 2jfb h ARG 42 Ca 0.08 -0.31 0.09 0.00 -1.10 0.00 0.00 59.98 58.74 2jfb h ARG 42 Cb 0.16 -0.09 -0.07 0.00 -1.39 0.00 0.00 29.97 28.58 2jfb h ARG 42 CO -0.19 0.98 0.18 -0.07 2.80 0.00 0.00 179.97 183.68 2jfb h LEU 43 N 0.90 0.15 -0.95 3.80 4.07 -1.06 -2.23 115.31 120.00 2jfb h LEU 43 Ca 0.16 0.08 -0.03 0.00 0.08 0.00 0.00 57.88 58.18 2jfb h LEU 43 Cb 0.55 0.08 -0.04 0.00 1.08 0.00 0.00 40.66 42.33 2jfb h LEU 43 CO 0.03 0.10 0.41 1.56 -1.08 0.00 0.00 178.44 179.46 2jfb h GLN 44 N 0.35 1.16 0.00 1.13 4.20 -0.88 -2.31 115.11 118.76 2jfb h GLN 44 Ca 0.28 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 2jfb h GLN 44 Cb 0.35 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2jfb h GLN 44 CO -0.31 0.88 -0.22 0.93 -0.67 0.00 0.00 178.83 179.45 2jfb h GLU 45 N 1.16 0.00 -0.10 1.46 5.08 -1.03 -2.03 114.58 119.12 2jfb h GLU 45 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2jfb h GLU 45 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2jfb h GLU 45 CO -0.04 0.22 0.00 1.19 -1.00 0.00 0.00 179.01 179.38 2jfb n PHE 46 N -3.58 0.12 -0.41 4.33 3.01 -0.88 -4.93 117.46 115.13 2jfb n PHE 46 Ca -0.01 -0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.39 2jfb n PHE 46 Cb 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 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 1.09 0.74 3.70 1.37 0.00 -0.76 -0.95 105.19 110.37 2jfb n GLY 47 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.54 2.70 0.56 1.61 1.01 -0.91 -3.45 120.40 119.38 2jfb s VAL 48 Ca 0.00 0.29 -0.19 0.00 0.00 0.00 0.00 61.98 62.08 2jfb s VAL 48 Cb 0.00 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 2jfb s VAL 48 CO 0.00 0.01 1.14 -0.54 0.00 0.00 0.00 175.10 175.70 2jfb s LYS 49 N 2.27 3.27 0.22 2.72 1.02 -1.26 -4.45 119.74 123.53 2jfb s LYS 49 Ca 0.76 1.62 -0.08 0.00 0.02 0.00 0.00 55.97 58.29 2jfb s LYS 49 Cb -0.43 -1.99 0.17 0.00 -0.52 0.00 0.00 37.83 35.06 2jfb s LYS 49 CO 0.33 -0.92 1.82 0.93 -0.92 0.00 0.00 175.35 176.60 2jfb h GLU 50 N 1.08 1.18 0.00 1.68 4.39 -1.95 -0.83 114.58 120.14 2jfb h GLU 50 Ca -0.50 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.04 2jfb h GLU 50 Cb 1.26 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 2jfb h GLU 50 CO 0.56 0.90 0.00 1.05 -1.16 0.00 0.00 179.01 180.36 2jfb h GLU 51 N 1.17 0.00 -0.30 2.33 9.09 -2.00 -2.84 114.58 122.03 2jfb h GLU 51 Ca 0.29 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.70 2jfb h GLU 51 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.19 2jfb h GLU 51 CO -0.04 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.11 2jfb n ASN 52 N -2.34 3.06 -4.39 3.06 3.02 -0.34 -4.75 115.26 112.58 2jfb n ASN 52 Ca 0.00 -1.89 -0.43 0.00 -0.03 0.00 0.00 54.58 52.23 2jfb n ASN 52 Cb 0.15 -0.19 -0.09 0.00 -0.61 0.00 0.00 39.78 39.04 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 -1.30 4.99 -0.24 2.41 1.01 -1.07 -0.32 121.20 126.68 2jfb s ILE 53 Ca 0.31 -0.94 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 2jfb s ILE 53 Cb 0.18 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 2jfb s ILE 53 CO 0.25 -0.42 0.06 -0.63 0.00 0.00 0.00 174.94 174.20 2jfb s ILE 54 N 1.61 4.33 -0.14 2.92 -1.09 -0.27 -5.01 121.20 123.55 2jfb s ILE 54 Ca 0.04 -0.17 -0.00 0.00 -2.23 0.00 0.00 60.65 58.28 2jfb s ILE 54 Cb -0.21 -3.01 -0.01 0.00 -1.58 0.00 0.00 42.46 37.64 2jfb s ILE 54 CO 0.07 0.36 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.39 2jfb s ILE 55 N 1.41 3.04 0.04 2.92 1.01 -1.26 0.24 121.20 128.61 2jfb s ILE 55 Ca 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.05 2jfb s ILE 55 Cb -0.15 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 2jfb s ILE 55 CO 0.03 0.51 -0.04 -0.70 0.00 0.00 0.00 174.94 174.74 2jfb s GLU 56 N 0.50 0.51 0.23 2.79 2.56 -0.27 -4.98 118.70 120.04 2jfb s GLU 56 Ca -0.09 -0.91 0.09 0.00 0.00 0.00 0.00 54.97 54.06 2jfb s GLU 56 Cb -0.16 0.03 -0.04 0.00 2.00 0.00 0.00 34.13 35.96 2jfb s GLU 56 CO 0.04 -0.05 -0.01 0.95 -0.56 0.00 0.00 175.26 175.63 2jfb s THR 57 N -2.46 3.50 0.17 -1.70 -4.23 -1.26 -1.63 115.64 108.03 2jfb s THR 57 Ca -0.04 -1.73 0.03 0.00 -1.18 0.00 0.00 61.69 58.76 2jfb s THR 57 Cb -0.03 -2.82 -0.05 0.00 1.34 0.00 0.00 72.50 70.95 2jfb s THR 57 CO -0.04 -0.26 -0.03 0.68 -0.54 0.00 0.00 174.62 174.43 2jfb s VAL 58 N -2.06 0.84 0.05 2.29 -7.23 -0.45 -4.89 120.40 108.94 2jfb s VAL 58 Ca 0.29 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.15 2jfb s VAL 58 Cb -0.08 -2.05 -0.17 0.00 0.56 0.00 0.00 36.38 34.64 2jfb s VAL 58 CO 0.19 -0.55 1.42 -0.65 -0.31 0.00 0.00 175.10 175.20 2jfb h PRO 59 N 2.71 -1.09 -5.07 4.82 0.11 -1.94 -2.40 132.00 129.14 2jfb h PRO 59 Ca -0.37 0.07 -0.55 0.00 0.11 0.00 0.00 66.00 65.27 2jfb h PRO 59 Cb 1.20 0.25 -0.13 0.00 0.11 0.00 0.00 31.00 32.43 2jfb h PRO 59 CO 0.63 -0.73 -0.53 0.20 -0.21 0.00 0.00 178.00 177.37 2jfb s GLY 60 N -1.93 2.54 0.43 -0.55 0.00 -1.26 -1.17 107.32 105.37 2jfb s GLY 60 Ca -0.17 -1.33 0.15 0.00 0.00 0.00 0.00 44.72 43.38 2jfb s GLY 60 CO 0.50 -1.84 1.95 1.76 0.00 0.00 0.00 173.10 175.47 2jfb h SER 61 N 1.83 0.00 0.16 1.64 0.02 -1.92 -2.20 113.55 113.08 2jfb h SER 61 Ca -0.37 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.56 2jfb h SER 61 Cb 1.27 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.81 2jfb h SER 61 CO 0.59 0.23 -0.14 0.15 -1.14 0.00 0.00 176.83 176.53 2jfb h PHE 62 N 0.00 0.00 -0.00 3.45 3.57 -1.97 -1.97 116.94 120.02 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 0.42 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.16 2jfb h PHE 62 CO 0.00 0.14 -0.13 0.39 -2.23 0.00 0.00 178.31 176.48 2jfb n GLU 63 N -4.26 0.68 0.15 1.11 4.71 -0.83 -4.26 120.64 117.94 2jfb n GLU 63 Ca -0.03 -0.25 -0.14 0.00 -0.01 0.00 0.00 57.16 56.73 2jfb n GLU 63 Cb 0.21 -1.49 -0.07 0.00 -1.01 0.00 0.00 31.44 29.07 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 0.62 -0.34 0.44 -4.62 3.38 -1.38 0.03 115.31 113.44 2jfb h LEU 64 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2jfb h LEU 64 Cb 0.38 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2jfb h LEU 64 CO 0.00 -0.22 -0.31 -0.65 0.09 0.00 0.00 178.44 177.35 2jfb h PRO 65 N -0.35 -0.70 -0.33 1.13 0.11 -1.77 0.13 132.00 130.22 2jfb h PRO 65 Ca -0.02 0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.00 2jfb h PRO 65 Cb 0.29 0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 2jfb h PRO 65 CO 0.02 -0.47 -0.36 -0.92 -0.21 0.00 0.00 178.00 176.07 2jfb h TYR 66 N -0.73 0.90 -1.00 0.65 3.20 -1.83 -2.53 116.97 115.64 2jfb h TYR 66 Ca -0.04 -0.25 0.11 0.00 3.14 0.00 0.00 58.73 61.68 2jfb h TYR 66 Cb 0.61 -0.20 -0.08 0.00 1.54 0.00 0.00 36.73 38.60 2jfb h TYR 66 CO -0.12 1.01 0.63 0.78 -1.64 0.00 0.00 178.16 178.82 2jfb h GLY 67 N 0.93 1.62 0.99 1.82 0.00 -0.92 -0.84 103.07 106.68 2jfb h GLY 67 Ca 0.06 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 2jfb h GLY 67 CO 0.08 0.19 0.26 1.76 0.00 0.00 0.00 176.54 178.83 2jfb h SER 68 N 1.02 0.82 -0.10 0.19 0.02 -0.34 0.94 113.55 116.10 2jfb h SER 68 Ca 0.49 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2jfb h SER 68 Cb 0.44 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 2jfb h SER 68 CO -0.25 0.74 0.04 0.50 -1.14 0.00 0.00 176.83 176.72 2jfb h LYS 69 N 0.83 0.15 -0.45 3.45 3.64 -0.98 0.20 116.57 123.41 2jfb h LYS 69 Ca 0.20 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 2jfb h LYS 69 Cb 0.17 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2jfb h LYS 69 CO -0.02 0.24 0.05 -0.07 -2.27 0.00 0.00 179.45 177.39 2jfb h LEU 70 N 0.01 0.65 -0.24 5.20 3.38 -1.08 -0.80 115.31 122.42 2jfb h LEU 70 Ca 0.03 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2jfb h LEU 70 Cb 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2jfb h LEU 70 CO -0.00 0.69 -0.04 0.15 0.09 0.00 0.00 178.44 179.32 2jfb h PHE 71 N 0.66 0.51 -0.50 1.13 3.57 -0.63 -1.57 116.94 120.11 2jfb h PHE 71 Ca 0.14 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2jfb h PHE 71 Cb 0.33 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2jfb h PHE 71 CO 0.02 0.66 0.26 0.28 -2.23 0.00 0.00 178.31 177.30 2jfb h VAL 72 N 0.21 1.18 -0.64 1.41 2.07 -0.73 -2.34 116.25 117.41 2jfb h VAL 72 Ca 0.06 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.03 2jfb h VAL 72 Cb 0.48 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2jfb h VAL 72 CO 0.02 0.20 0.10 -0.33 0.02 0.00 0.00 177.57 177.57 2jfb h GLU 73 N 0.66 1.06 -0.61 1.57 4.39 -1.12 -2.15 114.58 118.39 2jfb h GLU 73 Ca 0.17 -0.29 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 2jfb h GLU 73 Cb 0.08 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 2jfb h GLU 73 CO -0.03 0.99 0.24 -0.22 -1.16 0.00 0.00 179.01 178.83 2jfb h LYS 74 N 0.97 0.91 -0.75 2.33 3.64 -1.22 -1.79 116.57 120.66 2jfb h LYS 74 Ca 0.19 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 2jfb h LYS 74 Cb 0.44 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 2jfb h LYS 74 CO 0.01 0.77 0.32 1.96 -2.27 0.00 0.00 179.45 180.24 2jfb h GLN 75 N 0.85 1.09 -0.00 1.90 1.08 -1.22 -0.84 115.11 117.96 2jfb h GLN 75 Ca 0.20 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2jfb h GLN 75 Cb 0.20 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2jfb h GLN 75 CO -0.02 0.87 -0.00 0.87 -0.95 0.00 0.00 178.83 179.60 2jfb h LYS 76 N 1.07 -0.00 -0.01 1.46 1.57 -1.18 0.55 116.57 120.03 2jfb h LYS 76 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2jfb h LYS 76 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 2jfb h LYS 76 CO -0.03 -0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.86 2jfb h ARG 77 N -0.00 0.00 -0.00 3.15 3.08 -0.93 -0.83 114.38 118.86 2jfb h ARG 77 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jfb h ARG 77 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2jfb h ARG 77 CO -0.01 0.00 -0.08 1.28 -1.07 0.00 0.00 179.97 180.10 2jfb n LEU 78 N -4.45 0.08 -0.09 3.04 4.32 -0.36 -4.91 117.00 114.64 2jfb n LEU 78 Ca -0.03 0.41 -0.01 0.00 -0.02 0.00 0.00 56.01 56.36 2jfb n LEU 78 Cb 0.10 -0.45 -0.01 0.00 -1.62 0.00 0.00 43.42 41.44 2jfb n LEU 78 CO 0.33 0.02 -0.01 0.61 -1.22 0.00 0.00 177.39 177.12 2jfb n GLY 79 N 1.49 0.50 2.46 -0.72 0.00 -0.32 -4.97 105.19 103.63 2jfb n GLY 79 Ca 0.07 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.79 2.38 -2.00 1.61 4.76 0.15 -5.01 118.16 117.25 2jfb n LYS 80 Ca -0.01 -4.49 -0.34 0.00 -2.87 0.00 0.00 58.31 50.60 2jfb n LYS 80 Cb 0.06 -2.11 0.02 0.00 -1.84 0.00 0.00 35.03 31.16 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 -2.47 3.09 -0.06 1.97 0.04 -1.22 -4.45 135.00 131.89 2jfb s PRO 81 Ca 0.41 1.47 -0.15 0.00 0.04 0.00 0.00 61.00 62.77 2jfb s PRO 81 Cb 0.18 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.68 2jfb s PRO 81 CO -0.04 -1.03 0.38 -0.51 0.04 0.00 0.00 177.00 175.83 2jfb s LEU 82 N -4.37 4.39 0.20 -3.56 1.43 -1.26 -4.67 118.68 110.84 2jfb s LEU 82 Ca 0.69 0.81 0.18 0.00 -1.03 0.00 0.00 54.13 54.79 2jfb s LEU 82 Cb -0.21 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.49 2jfb s LEU 82 CO 0.35 0.24 1.14 0.44 0.23 0.00 0.00 176.35 178.74 2jfb h ASP 83 N 5.44 0.00 -5.01 2.29 3.32 -1.13 -3.48 116.42 117.84 2jfb h ASP 83 Ca -0.48 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 2jfb h ASP 83 Cb 1.20 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.65 2jfb h ASP 83 CO 0.66 0.38 0.18 0.00 -1.72 0.00 0.00 179.24 178.73 2jfb s ALA 84 N -3.06 -1.42 -0.00 3.45 0.00 -1.24 -4.17 121.76 115.32 2jfb s ALA 84 Ca 0.01 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.22 2jfb s ALA 84 Cb 0.08 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 24.06 2jfb s ALA 84 CO 0.77 -0.81 -0.04 -1.50 0.00 0.00 0.00 175.76 174.17 2jfb s ILE 85 N -3.80 0.34 -0.48 0.00 2.07 -0.62 -1.84 121.20 116.87 2jfb s ILE 85 Ca 0.04 -0.19 0.01 0.00 -1.41 0.00 0.00 60.65 59.09 2jfb s ILE 85 Cb -0.02 -0.29 0.13 0.00 0.13 0.00 0.00 42.46 42.41 2jfb s ILE 85 CO -0.08 0.09 0.25 -0.63 -1.91 0.00 0.00 174.94 172.66 2jfb s ILE 86 N -0.11 2.97 0.01 2.00 1.01 0.58 -1.35 121.20 126.30 2jfb s ILE 86 Ca 0.02 -2.74 -0.30 0.00 0.00 0.00 0.00 60.65 57.62 2jfb s ILE 86 Cb -0.02 -3.04 -0.05 0.00 0.01 0.00 0.00 42.46 39.37 2jfb s ILE 86 CO -0.00 -0.75 1.27 -2.84 0.00 0.00 0.00 174.94 172.62 2jfb s PRO 87 N 0.34 4.35 -0.15 2.79 0.02 -1.24 -1.84 135.00 139.27 2jfb s PRO 87 Ca 0.14 1.81 0.01 0.00 0.02 0.00 0.00 61.00 62.98 2jfb s PRO 87 Cb -0.22 -3.48 0.02 0.00 0.02 0.00 0.00 34.50 30.83 2jfb s PRO 87 CO -0.04 -0.43 -0.19 0.42 -0.33 0.00 0.00 177.00 176.44 2jfb s ILE 88 N 1.86 1.89 0.04 2.83 1.01 0.18 -1.96 121.20 127.05 2jfb s ILE 88 Ca 0.60 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 60.34 2jfb s ILE 88 Cb -0.29 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 2jfb s ILE 88 CO 0.26 0.51 0.09 -0.83 0.00 0.00 0.00 174.94 174.97 2jfb s GLY 89 N 1.16 0.19 -0.12 6.18 0.00 -0.60 -1.20 107.32 112.93 2jfb s GLY 89 Ca 0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 44.72 44.11 2jfb s GLY 89 CO -0.08 -0.75 -0.10 0.14 0.00 0.00 0.00 173.10 172.31 2jfb s VAL 90 N -2.79 1.22 -0.13 1.40 1.01 -1.26 -0.60 120.40 119.25 2jfb s VAL 90 Ca -0.03 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.55 2jfb s VAL 90 Cb -0.00 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.19 2jfb s VAL 90 CO -0.05 0.40 -0.21 -0.76 0.00 0.00 0.00 175.10 174.47 2jfb s LEU 91 N 1.58 2.05 -0.12 3.92 1.43 -0.37 -4.81 118.68 122.36 2jfb s LEU 91 Ca 0.04 -0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 52.55 2jfb s LEU 91 Cb -0.13 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 2jfb s LEU 91 CO -0.08 0.08 -0.06 -0.63 0.23 0.00 0.00 176.35 175.88 2jfb s ILE 92 N 0.81 3.76 0.05 -0.59 -1.09 -1.26 -1.39 121.20 121.49 2jfb s ILE 92 Ca -0.08 -0.43 -0.30 0.00 -2.23 0.00 0.00 60.65 57.61 2jfb s ILE 92 Cb -0.16 -2.60 -0.09 0.00 -1.58 0.00 0.00 42.46 38.04 2jfb s ILE 92 CO -0.01 0.54 1.83 -0.75 -1.23 0.00 0.00 174.94 175.32 2jfb s LYS 93 N -0.06 4.15 0.00 2.79 2.47 0.29 -4.83 119.74 124.55 2jfb s LYS 93 Ca 0.01 2.50 0.00 0.00 -1.56 0.00 0.00 55.97 56.92 2jfb s LYS 93 Cb -0.13 -3.88 0.00 0.00 -1.46 0.00 0.00 37.83 32.36 2jfb s LYS 93 CO 0.03 -0.87 0.00 0.41 0.16 0.00 0.00 175.35 175.08 2jfb n GLY 94 N 4.31 2.34 0.09 5.54 0.00 -1.26 -4.81 105.19 111.40 2jfb n GLY 94 Ca 0.18 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 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 0.60 -3.28 1.61 7.64 -1.26 -4.98 113.62 113.95 2jfb n SER 95 Ca 0.00 0.23 -0.11 0.00 1.01 0.00 0.00 58.87 60.00 2jfb n SER 95 Cb 0.00 0.32 0.06 0.00 -1.01 0.00 0.00 64.21 63.58 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 -2.95 0.00 0.16 0.44 -2.24 -1.26 -5.00 114.28 103.43 2jfb n THR 96 Ca -0.24 -0.80 0.08 0.00 -2.27 0.00 0.00 64.05 60.82 2jfb n THR 96 Cb 1.09 -1.10 0.25 0.00 -2.10 0.00 0.00 70.33 68.48 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 -1.88 2.58 -0.28 -0.78 0.00 -1.26 -4.38 117.12 111.12 2jfb n MET 97 Ca 0.08 -1.99 0.02 0.00 0.00 0.00 0.00 57.70 55.80 2jfb n MET 97 Cb 0.29 -1.56 0.15 0.00 0.00 0.00 0.00 33.22 32.11 2jfb n MET 97 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2jfb h HIS 98 N 3.06 0.85 -0.13 2.03 -0.00 -1.98 -2.57 115.15 116.41 2jfb h HIS 98 Ca 0.00 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.44 2jfb h HIS 98 Cb 0.90 -0.26 -0.05 0.00 -0.00 0.00 0.00 27.41 28.00 2jfb h HIS 98 CO 0.45 0.37 -0.16 0.35 -0.00 0.00 0.00 177.93 178.94 2jfb h PHE 99 N 0.80 -0.41 -0.79 5.26 3.57 -1.88 -1.71 116.94 121.78 2jfb h PHE 99 Ca 0.38 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.94 2jfb h PHE 99 Cb 0.30 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.19 2jfb h PHE 99 CO -0.06 -0.23 0.50 0.93 -2.23 0.00 0.00 178.31 177.21 2jfb h GLU 100 N -0.20 0.92 0.01 1.11 3.07 -1.78 -1.69 114.58 116.01 2jfb h GLU 100 Ca 0.10 -0.06 -0.23 0.00 -0.50 0.00 0.00 59.36 58.67 2jfb h GLU 100 Cb 0.34 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 28.01 2jfb h GLU 100 CO -0.25 0.61 -1.18 1.88 -1.40 0.00 0.00 179.01 178.67 2jfb h TYR 101 N 0.95 0.04 0.16 4.33 0.05 -1.34 -1.87 116.97 119.28 2jfb h TYR 101 Ca 0.33 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 59.07 2jfb h TYR 101 Cb 0.06 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.80 2jfb h TYR 101 CO -0.03 1.03 -0.08 0.82 -1.05 0.00 0.00 178.16 178.85 2jfb h ILE 102 N 0.01 0.97 -0.41 -2.88 1.08 -1.27 -2.72 117.51 112.29 2jfb h ILE 102 Ca -0.08 -0.85 0.08 0.00 -0.39 0.00 0.00 64.86 63.62 2jfb h ILE 102 Cb 1.84 1.47 -0.08 0.00 -3.07 0.00 0.00 36.82 36.98 2jfb h ILE 102 CO 0.12 0.19 -0.13 0.00 -0.69 0.00 0.00 178.15 177.65 2jfb h ASP 104 N -0.03 -1.32 -0.73 0.00 3.58 -1.40 -0.76 116.42 115.77 2jfb h ASP 104 Ca 0.20 0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.71 2jfb h ASP 104 Cb 0.34 0.42 -0.03 0.00 1.72 0.00 0.00 39.33 41.77 2jfb h ASP 104 CO -0.44 -0.71 0.34 0.28 -2.88 0.00 0.00 179.24 175.83 2jfb h SER 105 N -1.09 0.96 0.07 2.28 0.02 -1.36 -2.50 113.55 111.92 2jfb h SER 105 Ca -0.08 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2jfb h SER 105 Cb 0.92 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2jfb h SER 105 CO 0.01 0.83 -0.04 0.74 -1.14 0.00 0.00 176.83 177.24 2jfb h THR 106 N 1.02 1.06 -0.63 -2.27 2.02 -0.96 -1.70 112.91 111.44 2jfb h THR 106 Ca 0.25 -0.45 0.07 0.00 0.77 0.00 0.00 66.41 67.05 2jfb h THR 106 Cb 0.13 1.35 -0.06 0.00 -1.74 0.00 0.00 68.15 67.84 2jfb h THR 106 CO -0.03 0.11 0.32 0.74 0.37 0.00 0.00 175.52 177.03 2jfb h THR 107 N -0.30 0.91 -0.24 3.16 2.02 -1.08 -0.84 112.91 116.55 2jfb h THR 107 Ca -0.01 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 2jfb h THR 107 Cb 0.26 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 2jfb h THR 107 CO 0.02 0.11 0.06 0.45 0.37 0.00 0.00 175.52 176.52 2jfb h HIS 108 N 0.59 0.40 -0.41 3.16 3.86 -1.39 -2.25 115.15 119.11 2jfb h HIS 108 Ca 0.29 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.39 2jfb h HIS 108 Cb 0.24 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 2jfb h HIS 108 CO -0.10 0.48 0.01 1.96 0.86 0.00 0.00 177.93 181.14 2jfb h GLN 109 N 0.21 0.71 -0.84 2.45 1.08 -0.98 -1.27 115.11 116.47 2jfb h GLN 109 Ca 0.08 -0.22 0.03 0.00 -1.45 0.00 0.00 58.65 57.08 2jfb h GLN 109 Cb 0.28 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.60 2jfb h GLN 109 CO 0.00 0.79 0.56 -0.07 -0.95 0.00 0.00 178.83 179.16 2jfb h LEU 110 N 0.54 0.92 0.25 1.46 3.38 -1.19 0.18 115.31 120.85 2jfb h LEU 110 Ca 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2jfb h LEU 110 Cb 0.46 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2jfb h LEU 110 CO 0.02 0.64 -0.12 -0.03 0.09 0.00 0.00 178.44 179.04 2jfb h MET 111 N 1.07 -0.32 0.00 1.13 4.05 -1.18 -2.78 114.93 116.90 2jfb h MET 111 Ca 0.33 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.77 2jfb h MET 111 Cb -0.01 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 30.86 2jfb h MET 111 CO -0.09 -0.12 -0.02 0.87 0.23 0.00 0.00 176.91 177.77 2jfb h LYS 112 N -0.45 0.00 0.00 0.39 1.57 -0.74 -2.73 116.57 114.61 2jfb h LYS 112 Ca -0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2jfb h LYS 112 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 2jfb h LYS 112 CO 0.06 0.02 -0.09 1.25 -0.57 0.00 0.00 179.45 180.12 2jfb h LEU 113 N 0.00 0.00 -0.99 2.94 5.85 -0.36 -2.27 115.31 120.47 2jfb h LEU 113 Ca -0.00 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.81 2jfb h LEU 113 Cb 0.07 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 2jfb h LEU 113 CO 0.00 0.09 0.63 0.78 -0.34 0.00 0.00 178.44 179.60 2jfb h ASN 114 N 0.00 0.96 0.22 1.25 2.35 -1.51 -1.98 115.58 116.88 2jfb h ASN 114 Ca -0.00 0.03 -0.35 0.00 -0.55 0.00 0.00 56.30 55.43 2jfb h ASN 114 Cb 0.58 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 2jfb h ASN 114 CO 0.01 0.56 -1.82 -0.26 -1.65 0.00 0.00 177.43 174.27 2jfb h PHE 115 N 1.07 0.54 -0.56 1.19 -1.00 -1.62 -2.77 116.94 113.80 2jfb h PHE 115 Ca 0.46 -0.40 -0.10 0.00 2.81 0.00 0.00 57.97 60.74 2jfb h PHE 115 Cb 0.33 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.85 2jfb h PHE 115 CO -0.01 1.64 -0.06 0.93 -1.61 0.00 0.00 178.31 179.21 2jfb h GLU 116 N 0.08 1.02 0.03 1.51 5.08 -1.49 -3.25 114.58 117.55 2jfb h GLU 116 Ca -0.36 -0.36 -0.26 0.00 -1.00 0.00 0.00 59.36 57.39 2jfb h GLU 116 Cb 2.06 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 31.20 2jfb h GLU 116 CO 0.13 1.04 -1.36 -0.07 -1.00 0.00 0.00 179.01 177.75 2jfb h LEU 117 N 0.90 0.08 0.00 1.33 3.38 -1.52 -3.48 115.31 116.01 2jfb h LEU 117 Ca 0.15 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jfb h LEU 117 Cb 0.62 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2jfb h LEU 117 CO 0.04 1.10 0.00 0.61 0.09 0.00 0.00 178.44 180.28 2jfb n GLY 118 N 1.49 0.50 3.15 0.83 0.00 -1.05 -5.05 105.19 105.06 2jfb n GLY 118 Ca -0.09 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.00 0.94 0.16 -0.61 -4.36 -1.23 -5.05 121.20 109.05 2jfb s ILE 119 Ca 0.00 -1.36 -0.34 0.00 -0.26 0.00 0.00 60.65 58.69 2jfb s ILE 119 Cb 0.00 -1.06 -0.14 0.00 1.25 0.00 0.00 42.46 42.51 2jfb s ILE 119 CO 0.00 -0.36 1.60 -2.65 0.24 0.00 0.00 174.94 173.77 2jfb n PRO 120 N 1.10 2.20 -3.94 0.37 -0.02 -1.26 -4.46 135.00 128.99 2jfb n PRO 120 Ca -0.20 0.79 -0.34 0.00 -2.02 0.00 0.00 63.50 61.73 2jfb n PRO 120 Cb 0.55 -2.57 -0.14 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 1.05 2.82 -0.19 -1.45 1.01 -1.26 -1.59 120.40 120.78 2jfb s VAL 121 Ca 0.79 -1.52 -0.22 0.00 0.00 0.00 0.00 61.98 61.03 2jfb s VAL 121 Cb -0.67 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 2jfb s VAL 121 CO 0.38 -0.15 0.68 -0.63 0.00 0.00 0.00 175.10 175.37 2jfb s ILE 122 N 1.20 4.99 -0.69 2.22 -1.09 -0.46 -4.90 121.20 122.47 2jfb s ILE 122 Ca -0.04 1.28 -0.26 0.00 -2.23 0.00 0.00 60.65 59.40 2jfb s ILE 122 Cb -0.20 -3.99 -0.05 0.00 -1.58 0.00 0.00 42.46 36.64 2jfb s ILE 122 CO -0.02 0.09 2.06 0.12 -1.23 0.00 0.00 174.94 175.96 2jfb s PHE 123 N 1.99 1.51 -0.48 3.97 5.36 -1.26 -3.66 117.98 125.42 2jfb s PHE 123 Ca 0.31 1.06 0.03 0.00 -0.96 0.00 0.00 56.93 57.36 2jfb s PHE 123 Cb -0.16 -3.89 0.49 0.00 -0.34 0.00 0.00 43.02 39.11 2jfb s PHE 123 CO 0.11 -2.11 1.69 0.41 -1.46 0.00 0.00 175.22 173.86 2jfb n GLY 124 N 6.21 5.73 3.42 13.12 0.00 -0.83 -4.96 105.19 127.88 2jfb n GLY 124 Ca 0.32 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 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 -4.35 3.95 0.04 1.61 1.01 -1.26 -1.55 120.40 119.85 2jfb s VAL 125 Ca 0.57 -0.30 -0.25 0.00 0.00 0.00 0.00 61.98 62.00 2jfb s VAL 125 Cb 0.46 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 2jfb s VAL 125 CO 0.02 0.40 0.75 -0.76 0.00 0.00 0.00 175.10 175.51 2jfb s LEU 126 N 1.31 4.45 -0.58 3.92 1.43 0.23 -4.94 118.68 124.50 2jfb s LEU 126 Ca 0.04 1.43 0.04 0.00 -1.03 0.00 0.00 54.13 54.61 2jfb s LEU 126 Cb -0.15 -3.21 0.15 0.00 0.03 0.00 0.00 46.19 43.02 2jfb s LEU 126 CO 0.01 0.02 0.37 0.42 0.23 0.00 0.00 176.35 177.41 2jfb s THR 127 N -0.08 2.28 0.21 5.49 -4.23 -1.26 -1.23 115.64 116.82 2jfb s THR 127 Ca 0.38 -3.57 0.08 0.00 -1.18 0.00 0.00 61.69 57.40 2jfb s THR 127 Cb -0.20 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 2jfb s THR 127 CO 0.23 -0.96 0.02 0.00 -0.54 0.00 0.00 174.62 173.37 2jfb h LEU 129 N 2.30 0.00 -8.86 0.00 3.38 -1.91 0.85 115.31 111.08 2jfb h LEU 129 Ca -0.46 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.11 2jfb h LEU 129 Cb 1.22 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.83 2jfb h LEU 129 CO 0.59 0.60 -0.69 0.42 0.09 0.00 0.00 178.44 179.46 2jfb s THR 130 N -2.90 1.27 0.21 0.22 -4.23 -1.26 -4.21 115.64 104.74 2jfb s THR 130 Ca -0.03 -2.08 -0.06 0.00 -1.18 0.00 0.00 61.69 58.34 2jfb s THR 130 Cb 0.09 -2.17 0.04 0.00 1.34 0.00 0.00 72.50 71.80 2jfb s THR 130 CO 0.81 -0.49 1.63 0.44 -0.54 0.00 0.00 174.62 176.48 2jfb h ASP 131 N 2.54 0.86 -0.88 3.99 3.32 -1.95 -3.05 116.42 121.26 2jfb h ASP 131 Ca -0.38 -0.29 0.04 0.00 0.02 0.00 0.00 57.03 56.42 2jfb h ASP 131 Cb 1.21 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.47 2jfb h ASP 131 CO 0.64 1.02 0.56 -0.08 -1.72 0.00 0.00 179.24 179.66 2jfb h GLU 132 N 0.76 1.03 -0.54 3.56 4.22 -1.98 -0.64 114.58 120.99 2jfb h GLU 132 Ca 0.11 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.48 2jfb h GLU 132 Cb 0.69 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2jfb h GLU 132 CO 0.05 0.68 0.31 1.96 -2.18 0.00 0.00 179.01 179.83 2jfb h GLN 133 N 1.06 0.75 -0.44 1.92 4.20 -1.95 -0.87 115.11 119.78 2jfb h GLN 133 Ca 0.36 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.86 2jfb h GLN 133 Cb 0.06 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 2jfb h GLN 133 CO -0.14 0.56 -0.23 0.00 -0.67 0.00 0.00 178.83 178.36 2jfb h ALA 134 N 1.14 0.62 -0.67 3.87 0.00 -1.42 -2.83 119.26 119.97 2jfb h ALA 134 Ca 0.19 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2jfb h ALA 134 Cb 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2jfb h ALA 134 CO -0.03 0.62 0.41 0.93 0.00 0.00 0.00 179.25 181.17 2jfb h GLU 135 N 0.77 0.90 -0.76 0.00 5.08 -0.93 -1.97 114.58 117.67 2jfb h GLU 135 Ca 0.10 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2jfb h GLU 135 Cb 0.81 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2jfb h GLU 135 CO 0.07 0.63 0.37 0.00 -1.00 0.00 0.00 179.01 179.08 2jfb h ALA 136 N 1.21 0.98 -0.00 3.43 0.00 -1.14 0.01 119.26 123.76 2jfb h ALA 136 Ca 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jfb h ALA 136 Cb -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2jfb h ALA 136 CO -0.05 0.54 -0.01 0.54 0.00 0.00 0.00 179.25 180.27 2jfb n ARG 137 N -4.39 1.00 0.00 0.00 1.74 -1.07 -2.38 116.66 111.57 2jfb n ARG 137 Ca 0.07 -0.19 0.08 0.00 -0.77 0.00 0.00 57.85 57.05 2jfb n ARG 137 Cb 0.13 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.13 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 -0.84 2.62 -0.88 7.54 0.00 -0.76 -1.01 120.51 127.19 2jfb n ALA 138 Ca 0.21 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2jfb n ALA 138 Cb 0.19 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 1.01 0.61 0.05 0.00 0.00 -0.99 -4.56 105.19 101.31 2jfb n GLY 139 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 0.38 -4.38 0.99 4.77 -0.05 -4.56 117.00 114.15 2jfb n LEU 140 Ca 0.00 0.54 -0.37 0.00 -0.03 0.00 0.00 56.01 56.15 2jfb n LEU 140 Cb 0.00 -0.42 -0.13 0.00 -2.33 0.00 0.00 43.42 40.54 2jfb n LEU 140 CO 0.00 -0.10 -0.28 -0.63 -1.33 0.00 0.00 177.39 175.05 2jfb s ILE 141 N -3.05 4.08 0.13 -0.08 1.01 -1.24 -4.95 121.20 117.09 2jfb s ILE 141 Ca 0.12 -0.51 -0.30 0.00 0.00 0.00 0.00 60.65 59.96 2jfb s ILE 141 Cb 0.15 -3.03 -0.06 0.00 0.01 0.00 0.00 42.46 39.53 2jfb s ILE 141 CO 0.55 0.18 1.05 -0.70 0.00 0.00 0.00 174.94 176.01 2jfb s GLU 142 N 1.54 4.62 0.00 2.79 2.12 -1.26 -2.96 118.70 125.55 2jfb s GLU 142 Ca 0.04 1.60 0.00 0.00 0.36 0.00 0.00 54.97 56.97 2jfb s GLU 142 Cb -0.16 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 30.89 2jfb s GLU 142 CO 0.03 0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.26 2jfb n GLY 143 N 2.27 0.77 2.99 -1.50 0.00 -1.26 -5.04 105.19 103.42 2jfb n GLY 143 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.30 1.75 2.92 1.61 2.20 -1.16 -5.10 119.74 121.66 2jfb s LYS 144 Ca 0.00 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 2jfb s LYS 144 Cb 0.00 -1.58 0.00 0.00 -1.51 0.00 0.00 37.83 34.74 2jfb s LYS 144 CO 0.00 -0.10 0.00 -1.33 -0.36 0.00 0.00 175.35 173.56 2jfb n MET 145 N 4.32 0.00 -4.03 4.03 2.81 -1.26 -4.77 117.12 118.22 2jfb n MET 145 Ca -0.18 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.60 2jfb n MET 145 Cb 0.51 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.97 2jfb n MET 145 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 2jfb s HIS 146 N 0.00 0.57 -0.34 2.03 -3.43 -1.26 -5.01 115.29 107.86 2jfb s HIS 146 Ca 0.00 -0.90 -0.29 0.00 -0.80 0.00 0.00 55.06 53.07 2jfb s HIS 146 Cb 0.00 0.08 0.02 0.00 -1.43 0.00 0.00 32.58 31.24 2jfb s HIS 146 CO 0.00 -1.00 1.07 1.21 -2.00 0.00 0.00 174.74 174.02 2jfb s ASN 147 N -3.07 6.88 0.46 7.38 2.47 -1.26 -3.83 114.94 123.97 2jfb s ASN 147 Ca 0.26 0.95 0.26 0.00 0.42 0.00 0.00 52.86 54.74 2jfb s ASN 147 Cb 0.00 -2.54 1.01 0.00 -1.45 0.00 0.00 41.25 38.27 2jfb s ASN 147 CO 0.11 -0.91 1.86 0.45 -3.72 0.00 0.00 177.10 174.89 2jfb h HIS 148 N 8.24 0.00 -0.99 0.43 3.86 -1.37 -2.80 115.15 122.51 2jfb h HIS 148 Ca -0.21 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.12 2jfb h HIS 148 Cb 1.06 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.45 2jfb h HIS 148 CO 0.85 0.18 0.63 0.78 0.86 0.00 0.00 177.93 181.23 2jfb h GLY 149 N 2.03 1.59 0.85 2.45 0.00 -1.79 -2.04 103.07 106.16 2jfb h GLY 149 Ca -0.00 -0.41 0.03 0.00 0.00 0.00 0.00 47.33 46.94 2jfb h GLY 149 CO 0.02 0.16 0.31 0.83 0.00 0.00 0.00 176.54 177.86 2jfb h GLU 150 N 0.97 0.59 -0.87 4.80 5.08 -1.61 -1.67 114.58 121.88 2jfb h GLU 150 Ca 0.49 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.82 2jfb h GLU 150 Cb 0.50 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 2jfb h GLU 150 CO -0.25 0.39 0.57 -0.44 -1.00 0.00 0.00 179.01 178.28 2jfb h ASP 151 N 0.61 1.01 0.09 1.42 3.32 -1.51 -2.43 116.42 118.93 2jfb h ASP 151 Ca 0.22 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 2jfb h ASP 151 Cb 0.04 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 2jfb h ASP 151 CO -0.11 0.73 -0.36 -0.50 -1.72 0.00 0.00 179.24 177.28 2jfb h TRP 152 N 1.18 0.43 -0.38 4.55 6.55 -0.91 -0.78 115.95 126.59 2jfb h TRP 152 Ca 0.32 -0.11 -0.04 0.00 0.95 0.00 0.00 58.89 60.01 2jfb h TRP 152 Cb -0.13 -0.10 -0.02 0.00 -0.86 0.00 0.00 29.16 28.06 2jfb h TRP 152 CO 0.00 0.69 0.09 0.78 -1.05 0.00 0.00 178.44 178.96 2jfb h GLY 153 N 1.12 0.66 1.11 1.49 0.00 -0.96 -2.00 103.07 104.50 2jfb h GLY 153 Ca 0.03 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 2jfb h GLY 153 CO 0.06 0.38 -0.03 0.00 0.00 0.00 0.00 176.54 176.96 2jfb h ALA 154 N 0.94 0.84 -0.52 3.60 0.00 -1.19 -2.97 119.26 119.96 2jfb h ALA 154 Ca 0.12 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2jfb h ALA 154 Cb 0.31 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2jfb h ALA 154 CO 0.00 0.67 0.10 0.00 0.00 0.00 0.00 179.25 180.02 2jfb h ALA 155 N 1.00 1.20 -0.22 0.00 0.00 -1.09 -2.63 119.26 117.53 2jfb h ALA 155 Ca 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2jfb h ALA 155 Cb 0.58 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2jfb h ALA 155 CO 0.03 0.54 0.04 0.00 0.00 0.00 0.00 179.25 179.87 2jfb h ALA 156 N 1.34 0.29 -0.19 0.00 0.00 -1.22 -1.75 119.26 117.73 2jfb h ALA 156 Ca 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jfb h ALA 156 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2jfb h ALA 156 CO 0.00 -0.05 0.10 0.28 0.00 0.00 0.00 179.25 179.58 2jfb h VAL 157 N 0.17 1.12 -0.10 0.00 2.07 -1.48 -2.60 116.25 115.44 2jfb h VAL 157 Ca 0.07 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 2jfb h VAL 157 Cb 0.30 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2jfb h VAL 157 CO 0.00 0.12 0.06 -0.08 0.02 0.00 0.00 177.57 177.69 2jfb h GLU 158 N 0.19 0.14 0.00 1.57 4.81 -1.45 -2.56 114.58 117.28 2jfb h GLU 158 Ca 0.07 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 2jfb h GLU 158 Cb 0.10 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2jfb h GLU 158 CO -0.01 0.17 -0.28 0.52 -0.73 0.00 0.00 179.01 178.68 2jfb h MET 159 N 0.08 0.00 0.00 1.92 2.86 -1.33 0.28 114.93 118.74 2jfb h MET 159 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2jfb h MET 159 Cb 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2jfb h MET 159 CO -0.01 0.28 -0.04 0.00 1.06 0.00 0.00 176.91 178.21 2jfb n ALA 160 N -2.46 2.37 -0.04 6.32 0.00 -0.98 -4.44 120.51 121.28 2jfb n ALA 160 Ca -0.02 -0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.25 2jfb n ALA 160 Cb 0.34 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.88 0.48 -0.33 0.00 -1.04 -0.64 -4.81 114.28 106.05 2jfb n THR 161 Ca 0.06 -0.13 0.18 0.00 -2.04 0.00 0.00 64.05 62.13 2jfb n THR 161 Cb 0.39 -1.56 0.39 0.00 -1.82 0.00 0.00 70.33 67.73 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 -0.29 0.47 -0.61 -2.82 3.64 -0.70 -2.14 116.57 114.13 2jfb h LYS 162 Ca -0.22 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2jfb h LYS 162 Cb 1.20 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2jfb h LYS 162 CO -0.13 0.31 0.00 1.19 -2.27 0.00 0.00 179.45 178.55 2jfb n PHE 163 N -4.96 1.06 1.14 1.91 3.01 -1.26 -5.14 117.46 113.22 2jfb n PHE 163 Ca 0.27 -0.56 0.09 0.00 1.01 0.00 0.00 57.45 58.26 2jfb n PHE 163 Cb 0.78 -0.11 0.54 0.00 -0.01 0.00 0.00 39.48 40.69 2jfb n PHE 163 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86