#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjc s HIS 2 N 0.00 1.77 -0.23 1.43 3.76 -1.26 -5.01 115.29 115.74 1fjc s HIS 2 Ca 0.00 -0.38 0.19 0.00 -0.15 0.00 0.00 55.06 54.72 1fjc s HIS 2 Cb 0.00 -1.15 -0.27 0.00 1.11 0.00 0.00 32.58 32.27 1fjc s HIS 2 CO 0.00 -0.06 0.50 -1.33 -0.85 0.00 0.00 174.74 173.00 1fjc n MET 3 N 2.72 0.68 -3.13 1.40 2.00 -1.26 -4.93 117.12 114.59 1fjc n MET 3 Ca -0.16 -0.13 -0.39 0.00 0.00 0.00 0.00 57.70 57.02 1fjc n MET 3 Cb 0.53 -1.42 -0.05 0.00 0.00 0.00 0.00 33.22 32.28 1fjc n MET 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1fjc s LEU 4 N -3.94 4.41 -0.12 4.03 2.01 -1.26 -4.98 118.68 118.83 1fjc s LEU 4 Ca -0.03 1.22 -0.30 0.00 0.01 0.00 0.00 54.13 55.03 1fjc s LEU 4 Cb 0.12 -3.01 -0.07 0.00 0.01 0.00 0.00 46.19 43.24 1fjc s LEU 4 CO 0.77 0.05 2.11 -0.62 1.01 0.00 0.00 176.35 179.66 1fjc n GLU 5 N 2.90 2.29 -0.97 1.70 1.02 -1.26 -4.91 120.64 121.41 1fjc n GLU 5 Ca -0.05 0.74 -0.34 0.00 -0.02 0.00 0.00 57.16 57.49 1fjc n GLU 5 Cb 0.51 -3.07 0.11 0.00 -0.02 0.00 0.00 31.44 28.96 1fjc n GLU 5 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1fjc n ASP 6 N 9.67 -1.21 -3.34 1.62 8.00 -1.26 -5.00 116.55 125.04 1fjc n ASP 6 Ca 0.26 0.45 0.00 0.00 0.71 0.00 0.00 54.79 56.21 1fjc n ASP 6 Cb 0.41 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 1fjc n ASP 6 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1fjc n PRO 7 N -1.81 1.15 -0.30 -0.24 -0.04 -1.26 -4.86 135.00 127.64 1fjc n PRO 7 Ca 0.09 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.64 1fjc n PRO 7 Cb 0.52 0.00 0.24 0.00 -0.04 0.00 0.00 33.50 34.22 1fjc n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fjc n THR 9 N -4.92 0.00 -3.79 0.00 -2.24 -1.26 -5.06 114.28 97.00 1fjc n THR 9 Ca 0.18 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.71 1fjc n THR 9 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1fjc n THR 9 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1fjc n SER 10 N 0.00 -4.88 -0.01 3.42 2.88 -1.26 -4.92 113.62 108.84 1fjc n SER 10 Ca 0.00 -0.97 -0.00 0.00 -1.33 0.00 0.00 58.87 56.57 1fjc n SER 10 Cb 0.00 -1.78 -0.00 0.00 -0.75 0.00 0.00 64.21 61.68 1fjc n SER 10 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1fjc h LYS 11 N -0.43 0.00 -0.07 -1.46 3.64 -1.99 -3.23 116.57 113.02 1fjc h LYS 11 Ca -0.62 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 1fjc h LYS 11 Cb 1.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1fjc h LYS 11 CO 0.38 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 179.19 1fjc n LYS 12 N -2.49 1.20 -0.07 1.90 5.02 -1.26 -3.18 118.16 119.28 1fjc n LYS 12 Ca -0.01 -0.31 -0.05 0.00 -2.02 0.00 0.00 58.31 55.92 1fjc n LYS 12 Cb 0.02 -1.17 -0.14 0.00 -0.02 0.00 0.00 35.03 33.72 1fjc n LYS 12 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1fjc n VAL 13 N -0.34 0.99 0.08 -0.18 0.31 -1.26 -4.22 118.33 113.71 1fjc n VAL 13 Ca 0.08 -0.69 -0.18 0.00 -0.01 0.00 0.00 64.34 63.53 1fjc n VAL 13 Cb 0.10 -0.42 -0.14 0.00 -0.91 0.00 0.00 33.84 32.46 1fjc n VAL 13 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1fjc h ARG 14 N 0.00 0.31 0.00 5.55 2.43 -1.56 -3.26 114.38 117.85 1fjc h ARG 14 Ca -0.39 -0.53 -0.01 0.00 -0.81 0.00 0.00 59.98 58.24 1fjc h ARG 14 Cb 1.86 0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 31.61 1fjc h ARG 14 CO 0.02 1.20 -0.03 0.00 -1.51 0.00 0.00 179.97 179.65 1fjc h ALA 15 N 0.42 1.19 0.27 2.80 0.00 -1.76 -1.81 119.26 120.36 1fjc h ALA 15 Ca -0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1fjc h ALA 15 Cb 2.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1fjc h ALA 15 CO 0.19 0.04 -0.13 0.00 0.00 0.00 0.00 179.25 179.35 1fjc h ALA 16 N 1.97 -0.36 -0.34 0.00 0.00 -1.73 -2.85 119.26 115.95 1fjc h ALA 16 Ca -0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1fjc h ALA 16 Cb 0.16 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 1fjc h ALA 16 CO 0.00 -0.43 0.14 2.89 0.00 0.00 0.00 179.25 181.86 1fjc n ARG 17 N -5.04 2.13 -4.10 0.00 1.85 -1.13 -4.08 116.66 106.30 1fjc n ARG 17 Ca -0.08 -1.35 -0.14 0.00 -1.00 0.00 0.00 57.85 55.28 1fjc n ARG 17 Cb 0.26 -1.68 -0.12 0.00 -1.05 0.00 0.00 32.46 29.88 1fjc n ARG 17 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1fjc s THR 18 N -1.60 0.68 0.24 8.89 2.01 -0.69 0.25 115.64 125.41 1fjc s THR 18 Ca 0.24 -1.11 -0.11 0.00 0.31 0.00 0.00 61.69 61.03 1fjc s THR 18 Cb 0.20 -0.72 -0.01 0.00 0.01 0.00 0.00 72.50 71.98 1fjc s THR 18 CO 0.06 -0.32 0.42 -1.48 -0.69 0.00 0.00 174.62 172.61 1fjc s LEU 19 N -1.57 0.45 -0.21 4.42 2.34 -0.07 -3.68 118.68 120.37 1fjc s LEU 19 Ca -0.08 -0.99 -0.04 0.00 0.06 0.00 0.00 54.13 53.08 1fjc s LEU 19 Cb -0.10 1.55 -0.02 0.00 -0.56 0.00 0.00 46.19 47.06 1fjc s LEU 19 CO 0.01 -1.09 -0.02 -0.22 -1.06 0.00 0.00 176.35 173.97 1fjc s LEU 20 N -3.04 3.10 0.07 1.48 1.98 0.74 -0.25 118.68 122.76 1fjc s LEU 20 Ca 0.25 -0.28 -0.20 0.00 -2.89 0.00 0.00 54.13 51.01 1fjc s LEU 20 Cb 0.01 -1.79 -0.07 0.00 0.66 0.00 0.00 46.19 45.00 1fjc s LEU 20 CO 0.09 0.03 0.59 0.00 -1.89 0.00 0.00 176.35 175.17 1fjc s ALA 21 N 1.17 3.57 0.17 5.97 0.00 0.72 0.27 121.76 133.63 1fjc s ALA 21 Ca 0.03 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.05 1fjc s ALA 21 Cb -0.14 -2.67 -0.00 0.00 0.00 0.00 0.00 23.12 20.31 1fjc s ALA 21 CO 0.00 0.37 0.20 1.17 0.00 0.00 0.00 175.76 177.51 1fjc n LYS 22 N 1.79 0.29 -1.14 0.00 4.81 0.33 0.86 118.16 125.10 1fjc n LYS 22 Ca -0.10 -1.42 -0.05 0.00 -0.87 0.00 0.00 58.31 55.87 1fjc n LYS 22 Cb 0.51 1.30 -0.02 0.00 0.02 0.00 0.00 35.03 36.83 1fjc n LYS 22 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1fjc n ASN 23 N -2.04 -4.95 -3.39 3.14 5.15 -0.85 0.52 115.26 112.83 1fjc n ASN 23 Ca 0.01 0.12 -0.23 0.00 -0.60 0.00 0.00 54.58 53.89 1fjc n ASN 23 Cb 0.28 -2.89 0.18 0.00 -0.53 0.00 0.00 39.78 36.82 1fjc n ASN 23 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1fjc n LEU 24 N -0.57 0.00 0.00 1.20 4.77 -0.53 -4.36 117.00 117.51 1fjc n LEU 24 Ca -0.05 -1.01 -0.27 0.00 -0.03 0.00 0.00 56.01 54.65 1fjc n LEU 24 Cb 0.39 -0.78 -0.06 0.00 -2.33 0.00 0.00 43.42 40.64 1fjc n LEU 24 CO 0.08 -1.56 -0.19 -0.24 -1.33 0.00 0.00 177.39 174.14 1fjc n SER 25 N -4.05 2.47 0.00 -1.43 2.88 -1.26 -4.49 113.62 107.75 1fjc n SER 25 Ca 0.12 -3.02 0.14 0.00 -1.33 0.00 0.00 58.87 54.78 1fjc n SER 25 Cb 0.45 0.57 0.66 0.00 -0.75 0.00 0.00 64.21 65.14 1fjc n SER 25 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1fjc n PHE 26 N -1.03 0.00 -0.10 0.66 3.01 -1.26 -3.68 117.46 115.06 1fjc n PHE 26 Ca -0.14 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.09 1fjc n PHE 26 Cb 0.58 -0.36 -0.12 0.00 -0.01 0.00 0.00 39.48 39.57 1fjc n PHE 26 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1fjc n ASN 27 N -1.36 1.98 -4.67 4.37 5.15 -1.26 -4.96 115.26 114.51 1fjc n ASN 27 Ca 0.11 0.16 -0.31 0.00 -0.60 0.00 0.00 54.58 53.94 1fjc n ASN 27 Cb 0.26 -0.71 0.16 0.00 -0.53 0.00 0.00 39.78 38.96 1fjc n ASN 27 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1fjc s ILE 28 N -2.50 2.30 0.21 -1.44 2.07 -1.24 -5.03 121.20 115.57 1fjc s ILE 28 Ca -0.33 0.10 -0.07 0.00 -1.41 0.00 0.00 60.65 58.94 1fjc s ILE 28 Cb 0.10 -2.23 0.03 0.00 0.13 0.00 0.00 42.46 40.49 1fjc s ILE 28 CO 0.60 -0.13 0.40 0.35 -1.91 0.00 0.00 174.94 174.25 1fjc n THR 29 N -4.19 0.00 -0.24 4.00 -2.24 -1.26 -4.80 114.28 105.55 1fjc n THR 29 Ca 0.10 -0.62 0.22 0.00 -2.27 0.00 0.00 64.05 61.48 1fjc n THR 29 Cb 0.53 0.55 0.57 0.00 -2.10 0.00 0.00 70.33 69.88 1fjc n THR 29 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1fjc h GLU 30 N 0.00 0.29 0.47 -0.78 4.22 -1.92 -0.10 114.58 116.76 1fjc h GLU 30 Ca -0.18 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.23 1fjc h GLU 30 Cb 0.67 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1fjc h GLU 30 CO 0.23 0.19 -0.51 0.22 -2.18 0.00 0.00 179.01 176.96 1fjc h ASP 31 N 0.30 -1.40 -0.49 1.04 1.82 -1.97 2.17 116.42 117.88 1fjc h ASP 31 Ca 0.48 0.12 0.00 0.00 -0.39 0.00 0.00 57.03 57.24 1fjc h ASP 31 Cb 1.38 0.47 -0.02 0.00 0.68 0.00 0.00 39.33 41.83 1fjc h ASP 31 CO -0.15 -0.66 0.32 -0.33 -1.61 0.00 0.00 179.24 176.81 1fjc h GLU 32 N -0.99 0.66 -0.06 0.28 3.07 -1.61 0.31 114.58 116.25 1fjc h GLU 32 Ca -0.06 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 58.65 1fjc h GLU 32 Cb 0.86 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.61 1fjc h GLU 32 CO -0.08 0.45 -0.44 -0.07 -1.40 0.00 0.00 179.01 177.47 1fjc h LEU 33 N 0.68 0.13 -0.30 1.33 4.07 0.01 0.84 115.31 122.08 1fjc h LEU 33 Ca 0.18 -0.06 -0.12 0.00 0.08 0.00 0.00 57.88 57.96 1fjc h LEU 33 Cb -0.06 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 1fjc h LEU 33 CO -0.04 0.56 -0.59 0.11 -1.08 0.00 0.00 178.44 177.41 1fjc h LYS 34 N 0.11 0.00 0.05 1.13 1.79 0.60 0.50 116.57 120.75 1fjc h LYS 34 Ca 0.01 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.24 1fjc h LYS 34 Cb 0.83 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 1fjc h LYS 34 CO 0.06 0.59 -1.05 1.49 -1.08 0.00 0.00 179.45 179.46 1fjc h GLU 35 N 0.00 0.19 0.12 3.15 4.81 0.16 -2.41 114.58 120.61 1fjc h GLU 35 Ca -0.01 -0.28 -0.32 0.00 -0.13 0.00 0.00 59.36 58.62 1fjc h GLU 35 Cb 1.33 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.79 1fjc h GLU 35 CO 0.08 1.08 -1.71 0.28 -0.73 0.00 0.00 179.01 178.00 1fjc h VAL 36 N 0.08 0.83 -0.83 0.32 2.07 -0.79 -3.35 116.25 114.57 1fjc h VAL 36 Ca -0.07 -2.38 -0.55 0.00 0.82 0.00 0.00 66.70 64.52 1fjc h VAL 36 Cb 1.75 2.59 -0.24 0.00 -1.52 0.00 0.00 31.29 33.87 1fjc h VAL 36 CO 0.16 0.78 0.71 0.49 0.02 0.00 0.00 177.57 179.73 1fjc n PHE 37 N -3.73 2.68 0.12 1.57 3.72 0.18 -4.59 117.46 117.40 1fjc n PHE 37 Ca -0.29 -2.57 0.08 0.00 -0.05 0.00 0.00 57.45 54.62 1fjc n PHE 37 Cb 0.98 -1.24 0.41 0.00 -0.94 0.00 0.00 39.48 38.68 1fjc n PHE 37 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1fjc n GLU 38 N -0.55 0.10 -0.13 -1.08 2.13 -0.91 -0.54 120.64 119.66 1fjc n GLU 38 Ca 0.52 0.59 0.07 0.00 0.66 0.00 0.00 57.16 59.00 1fjc n GLU 38 Cb 0.73 -1.86 0.25 0.00 0.27 0.00 0.00 31.44 30.83 1fjc n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1fjc n ASP 39 N -2.02 1.68 -4.86 4.31 2.03 -1.26 -4.89 116.55 111.53 1fjc n ASP 39 Ca -0.01 -1.87 -0.22 0.00 0.52 0.00 0.00 54.79 53.22 1fjc n ASP 39 Cb 0.07 -0.17 -0.04 0.00 -0.72 0.00 0.00 41.12 40.26 1fjc n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fjc s ALA 40 N -1.66 4.01 -0.03 -1.67 0.00 0.30 -4.28 121.76 118.43 1fjc s ALA 40 Ca 0.26 -1.90 -0.23 0.00 0.00 0.00 0.00 51.96 50.09 1fjc s ALA 40 Cb 0.14 -0.92 -0.23 0.00 0.00 0.00 0.00 23.12 22.11 1fjc s ALA 40 CO 0.20 -0.23 1.07 -0.07 0.00 0.00 0.00 175.76 176.73 1fjc h LEU 41 N 1.07 0.32 -7.70 0.00 3.38 0.21 -3.46 115.31 109.14 1fjc h LEU 41 Ca -0.41 -0.75 0.14 0.00 0.09 0.00 0.00 57.88 56.94 1fjc h LEU 41 Cb 1.27 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.84 1fjc h LEU 41 CO 0.59 1.03 0.40 -1.61 0.09 0.00 0.00 178.44 178.94 1fjc s GLU 42 N -3.24 1.35 0.04 1.13 2.02 -0.84 -5.01 118.70 114.15 1fjc s GLU 42 Ca -0.15 -0.73 0.03 0.00 0.02 0.00 0.00 54.97 54.15 1fjc s GLU 42 Cb 0.02 0.47 -0.02 0.00 0.10 0.00 0.00 34.13 34.70 1fjc s GLU 42 CO 0.77 -0.62 -0.11 0.42 0.02 0.00 0.00 175.26 175.74 1fjc s ILE 43 N -3.48 0.80 0.37 -1.63 1.01 -1.26 0.45 121.20 117.46 1fjc s ILE 43 Ca 0.11 -0.99 0.08 0.00 0.00 0.00 0.00 60.65 59.86 1fjc s ILE 43 Cb -0.03 -0.78 -0.07 0.00 0.01 0.00 0.00 42.46 41.60 1fjc s ILE 43 CO 0.02 -0.17 -0.01 -0.13 0.00 0.00 0.00 174.94 174.66 1fjc s ARG 44 N -1.29 1.97 0.30 2.79 1.81 0.76 -4.88 118.95 120.41 1fjc s ARG 44 Ca -0.04 -1.93 0.08 0.00 -1.72 0.00 0.00 55.73 52.13 1fjc s ARG 44 Cb -0.08 -1.77 -0.04 0.00 -0.45 0.00 0.00 34.95 32.60 1fjc s ARG 44 CO 0.01 0.05 0.13 -1.17 -0.68 0.00 0.00 175.30 173.64 1fjc s LEU 45 N -3.70 3.38 -0.23 2.53 2.96 -1.26 0.10 118.68 122.46 1fjc s LEU 45 Ca 0.35 -0.61 -0.14 0.00 -0.22 0.00 0.00 54.13 53.51 1fjc s LEU 45 Cb 0.04 -1.90 0.07 0.00 0.50 0.00 0.00 46.19 44.90 1fjc s LEU 45 CO 0.18 -0.17 0.57 -0.69 -1.32 0.00 0.00 176.35 174.92 1fjc s VAL 46 N -2.33 -0.01 0.00 1.68 1.01 0.74 -4.49 120.40 117.01 1fjc s VAL 46 Ca 0.35 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1fjc s VAL 46 Cb -0.05 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.51 1fjc s VAL 46 CO 0.23 0.01 0.00 -1.54 0.00 0.00 0.00 175.10 173.80 1fjc n SER 47 N 4.01 0.86 -2.24 3.32 3.41 -1.26 -0.05 113.62 121.68 1fjc n SER 47 Ca -0.20 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1fjc n SER 47 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1fjc n SER 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fjc n GLN 48 N 0.00 1.73 -0.27 4.33 10.64 -0.15 -4.69 117.38 128.96 1fjc n GLN 48 Ca 0.00 0.00 0.33 0.00 -1.83 0.00 0.00 57.00 55.50 1fjc n GLN 48 Cb 0.00 0.00 0.74 0.00 -0.86 0.00 0.00 30.24 30.12 1fjc n GLN 48 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 1fjc h ASP 49 N 0.00 0.00 0.00 2.61 3.32 -2.02 -3.34 116.42 117.00 1fjc h ASP 49 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1fjc h ASP 49 Cb 0.00 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.45 1fjc h ASP 49 CO 0.00 0.00 0.10 0.61 -1.72 0.00 0.00 179.24 178.23 1fjc n GLY 50 N -1.75 -1.33 3.65 2.75 0.00 -1.26 -5.15 105.19 102.10 1fjc n GLY 50 Ca 0.23 0.68 -0.01 0.00 0.00 0.00 0.00 46.02 46.92 1fjc n GLY 50 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fjc s LYS 51 N 0.04 0.18 -0.49 1.61 2.47 -1.25 -5.10 119.74 117.19 1fjc s LYS 51 Ca 0.17 0.28 -0.46 0.00 -1.56 0.00 0.00 55.97 54.40 1fjc s LYS 51 Cb 0.25 0.05 -0.19 0.00 -1.46 0.00 0.00 37.83 36.47 1fjc s LYS 51 CO -0.16 -0.03 1.76 0.43 0.16 0.00 0.00 175.35 177.50 1fjc n SER 52 N 2.97 1.17 -0.00 1.43 7.64 -1.26 -0.98 113.62 124.59 1fjc n SER 52 Ca -0.16 1.04 0.07 0.00 1.01 0.00 0.00 58.87 60.83 1fjc n SER 52 Cb 0.57 -0.91 -0.11 0.00 -1.01 0.00 0.00 64.21 62.75 1fjc n SER 52 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1fjc n LYS 53 N 5.06 0.96 0.00 1.43 4.81 -1.26 -4.71 118.16 124.44 1fjc n LYS 53 Ca 0.37 -0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1fjc n LYS 53 Cb -0.04 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 33.70 1fjc n LYS 53 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fjc n GLY 54 N 1.55 1.58 3.61 3.14 0.00 -1.24 -4.73 105.19 109.10 1fjc n GLY 54 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1fjc n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fjc s ILE 55 N -2.00 3.27 -0.15 -0.61 1.01 0.93 -1.46 121.20 122.20 1fjc s ILE 55 Ca 0.00 -1.92 -0.30 0.00 0.00 0.00 0.00 60.65 58.44 1fjc s ILE 55 Cb 0.00 -2.72 0.11 0.00 0.01 0.00 0.00 42.46 39.86 1fjc s ILE 55 CO 0.00 -0.32 0.92 0.00 0.00 0.00 0.00 174.94 175.54 1fjc s ALA 56 N -2.21 -1.90 0.14 9.38 0.00 0.25 0.26 121.76 127.68 1fjc s ALA 56 Ca 0.30 1.58 -0.10 0.00 0.00 0.00 0.00 51.96 53.74 1fjc s ALA 56 Cb -0.07 -0.66 -0.06 0.00 0.00 0.00 0.00 23.12 22.33 1fjc s ALA 56 CO 0.18 -0.31 0.46 0.71 0.00 0.00 0.00 175.76 176.80 1fjc s TYR 57 N -0.91 3.54 -0.13 0.00 2.02 0.28 0.26 117.35 122.41 1fjc s TYR 57 Ca -0.03 0.83 -0.00 0.00 -0.37 0.00 0.00 57.07 57.49 1fjc s TYR 57 Cb -0.01 -2.20 0.03 0.00 -0.40 0.00 0.00 41.96 39.38 1fjc s TYR 57 CO 0.03 0.43 -0.08 0.42 -1.57 0.00 0.00 175.55 174.78 1fjc s ILE 58 N -1.54 1.12 -0.20 2.71 -1.09 0.65 0.27 121.20 123.12 1fjc s ILE 58 Ca 0.38 -0.42 -0.08 0.00 -2.23 0.00 0.00 60.65 58.31 1fjc s ILE 58 Cb -0.13 -1.16 -0.04 0.00 -1.58 0.00 0.00 42.46 39.54 1fjc s ILE 58 CO 0.20 0.32 0.07 -1.61 -1.23 0.00 0.00 174.94 172.70 1fjc s GLU 59 N 1.66 3.90 0.48 2.79 0.41 0.17 -0.89 118.70 127.22 1fjc s GLU 59 Ca 0.04 -0.37 0.05 0.00 -0.41 0.00 0.00 54.97 54.27 1fjc s GLU 59 Cb -0.13 -3.27 -0.02 0.00 -1.78 0.00 0.00 34.13 28.93 1fjc s GLU 59 CO -0.08 0.13 0.18 -0.06 -0.49 0.00 0.00 175.26 174.94 1fjc s PHE 60 N 0.76 2.10 -0.37 1.61 0.40 0.70 0.20 117.98 123.38 1fjc s PHE 60 Ca 0.04 -0.78 0.22 0.00 -0.60 0.00 0.00 56.93 55.82 1fjc s PHE 60 Cb -0.13 -1.83 0.23 0.00 0.51 0.00 0.00 43.02 41.79 1fjc s PHE 60 CO 0.02 0.02 1.44 -0.22 0.70 0.00 0.00 175.22 177.19 1fjc h LYS 61 N 1.23 0.00 -2.45 0.44 3.64 -1.80 -3.40 116.57 114.23 1fjc h LYS 61 Ca -0.41 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.99 1fjc h LYS 61 Cb 1.28 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.95 1fjc h LYS 61 CO 0.68 0.04 0.33 -1.12 -2.27 0.00 0.00 179.45 177.10 1fjc s SER 62 N -6.01 -0.51 0.36 4.20 0.01 -1.26 -4.96 113.70 105.54 1fjc s SER 62 Ca 0.05 0.17 0.11 0.00 1.31 0.00 0.00 55.95 57.60 1fjc s SER 62 Cb 0.06 0.49 0.89 0.00 0.21 0.00 0.00 66.02 67.68 1fjc s SER 62 CO 0.71 -0.73 1.84 -0.33 0.41 0.00 0.00 173.24 175.13 1fjc h GLU 63 N 2.24 0.59 -0.83 12.44 3.07 -1.89 0.16 114.58 130.37 1fjc h GLU 63 Ca -0.28 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.52 1fjc h GLU 63 Cb 1.24 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.98 1fjc h GLU 63 CO 0.35 0.39 0.38 0.00 -1.40 0.00 0.00 179.01 178.74 1fjc h ALA 64 N 1.61 1.12 0.22 3.43 0.00 -1.95 1.10 119.26 124.78 1fjc h ALA 64 Ca 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1fjc h ALA 64 Cb 0.93 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1fjc h ALA 64 CO -0.24 0.66 -0.10 -0.44 0.00 0.00 0.00 179.25 179.12 1fjc h ASP 65 N 1.18 -0.25 -0.01 0.00 5.19 -1.10 0.51 116.42 121.94 1fjc h ASP 65 Ca 0.28 -0.27 -0.02 0.00 -0.62 0.00 0.00 57.03 56.40 1fjc h ASP 65 Cb 0.14 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 1fjc h ASP 65 CO -0.03 0.20 -0.03 0.00 -3.12 0.00 0.00 179.24 176.26 1fjc h ALA 66 N -0.17 1.82 0.01 3.45 0.00 -0.96 -0.03 119.26 123.39 1fjc h ALA 66 Ca -0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1fjc h ALA 66 Cb 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1fjc h ALA 66 CO 0.05 0.14 -0.00 0.93 0.00 0.00 0.00 179.25 180.36 1fjc h GLU 67 N 0.10 -0.01 -0.62 0.00 4.39 0.14 0.32 114.58 118.90 1fjc h GLU 67 Ca 0.03 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.76 1fjc h GLU 67 Cb 0.12 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1fjc h GLU 67 CO 0.00 0.81 0.41 -0.22 -1.16 0.00 0.00 179.01 178.85 1fjc h LYS 68 N -0.92 0.72 0.03 2.33 1.63 0.20 0.30 116.57 120.85 1fjc h LYS 68 Ca -0.00 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1fjc h LYS 68 Cb 0.83 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 1fjc h LYS 68 CO 0.00 0.47 -0.01 -0.91 -3.45 0.00 0.00 179.45 175.55 1fjc h ASN 69 N 0.74 -0.03 0.11 4.20 -0.26 -1.07 0.14 115.58 119.41 1fjc h ASN 69 Ca 0.25 -0.68 -0.00 0.00 -0.56 0.00 0.00 56.30 55.31 1fjc h ASN 69 Cb 0.07 0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1fjc h ASN 69 CO -0.07 0.76 -0.01 0.25 -1.06 0.00 0.00 177.43 177.30 1fjc h LEU 70 N -0.91 0.00 0.04 1.61 6.46 -0.70 1.10 115.31 122.91 1fjc h LEU 70 Ca -0.00 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.40 1fjc h LEU 70 Cb 0.71 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.60 1fjc h LEU 70 CO 0.01 0.01 -2.00 -0.62 -0.62 0.00 0.00 178.44 175.22 1fjc n GLU 71 N -3.29 0.65 0.10 1.25 1.02 0.10 -2.95 120.64 117.52 1fjc n GLU 71 Ca -0.03 0.32 0.12 0.00 -0.02 0.00 0.00 57.16 57.56 1fjc n GLU 71 Cb 0.10 -1.64 0.26 0.00 -0.02 0.00 0.00 31.44 30.14 1fjc n GLU 71 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1fjc h GLU 72 N -0.42 0.00 0.00 3.49 4.81 -0.47 -3.33 114.58 118.65 1fjc h GLU 72 Ca -0.49 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.48 1fjc h GLU 72 Cb 1.74 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.07 1fjc h GLU 72 CO -0.12 0.00 -2.20 1.63 -0.73 0.00 0.00 179.01 177.59 1fjc n LYS 73 N -2.33 0.88 -1.25 1.92 4.76 0.38 -4.87 118.16 117.65 1fjc n LYS 73 Ca 0.04 -0.05 -0.21 0.00 -2.87 0.00 0.00 58.31 55.22 1fjc n LYS 73 Cb 0.45 -1.48 -0.18 0.00 -1.84 0.00 0.00 35.03 31.98 1fjc n LYS 73 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1fjc n GLN 74 N -2.58 0.00 0.00 1.97 -0.06 -1.15 -0.80 117.38 114.75 1fjc n GLN 74 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.75 1fjc n GLN 74 Cb 0.98 -0.91 0.00 0.00 -4.06 0.00 0.00 30.24 26.26 1fjc n GLN 74 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1fjc n GLY 75 N 4.73 2.59 2.66 1.69 0.00 0.36 -4.92 105.19 112.31 1fjc n GLY 75 Ca 0.56 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1fjc n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fjc n ALA 76 N 0.00 -1.49 -1.73 4.61 0.00 0.02 0.27 120.51 122.18 1fjc n ALA 76 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1fjc n ALA 76 Cb 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.98 1fjc n ALA 76 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1fjc s GLU 77 N -0.49 1.99 0.27 0.00 2.56 -1.26 -3.63 118.70 118.14 1fjc s GLU 77 Ca 0.00 0.43 0.03 0.00 0.00 0.00 0.00 54.97 55.42 1fjc s GLU 77 Cb 0.00 -4.80 -0.04 0.00 2.00 0.00 0.00 34.13 31.29 1fjc s GLU 77 CO 0.00 -3.88 0.18 0.42 -0.56 0.00 0.00 175.26 171.42 1fjc s ILE 78 N 12.78 0.11 -1.45 -3.70 1.01 0.33 -4.83 121.20 125.45 1fjc s ILE 78 Ca 0.85 -2.00 -0.17 0.00 0.00 0.00 0.00 60.65 59.33 1fjc s ILE 78 Cb -0.12 -2.51 0.17 0.00 0.01 0.00 0.00 42.46 40.01 1fjc s ILE 78 CO 0.09 0.00 0.50 0.47 0.00 0.00 0.00 174.94 176.00 1fjc n ASP 79 N -0.82 -2.03 -2.62 3.58 8.00 -1.26 0.27 116.55 121.65 1fjc n ASP 79 Ca 0.03 -0.81 -0.20 0.00 0.71 0.00 0.00 54.79 54.53 1fjc n ASP 79 Cb 0.65 -1.76 0.00 0.00 -0.02 0.00 0.00 41.12 39.99 1fjc n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fjc n GLY 80 N -1.00 -0.51 3.90 0.44 0.00 -1.26 -4.90 105.19 101.86 1fjc n GLY 80 Ca 0.08 0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 1fjc n GLY 80 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1fjc s ARG 81 N -5.27 1.23 0.07 1.61 1.70 0.75 -5.17 118.95 113.88 1fjc s ARG 81 Ca 0.10 -0.80 0.08 0.00 -0.47 0.00 0.00 55.73 54.64 1fjc s ARG 81 Cb -0.05 0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 34.64 1fjc s ARG 81 CO 0.13 -0.58 -0.18 -1.12 -1.08 0.00 0.00 175.30 172.46 1fjc s SER 82 N -3.47 3.83 0.18 -2.89 0.01 -1.26 0.12 113.70 110.22 1fjc s SER 82 Ca 0.23 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 57.03 1fjc s SER 82 Cb -0.03 -0.58 -0.04 0.00 0.21 0.00 0.00 66.02 65.59 1fjc s SER 82 CO 0.05 0.22 0.33 -0.69 0.41 0.00 0.00 173.24 173.56 1fjc s VAL 83 N -1.02 5.28 -0.06 3.43 1.01 0.76 -4.69 120.40 125.10 1fjc s VAL 83 Ca 0.16 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1fjc s VAL 83 Cb -0.11 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1fjc s VAL 83 CO 0.07 -0.16 -0.15 -0.44 0.00 0.00 0.00 175.10 174.42 1fjc s SER 84 N -3.35 3.90 -0.09 3.32 0.01 0.18 0.14 113.70 117.82 1fjc s SER 84 Ca 0.35 -0.25 -0.06 0.00 1.31 0.00 0.00 55.95 57.30 1fjc s SER 84 Cb -0.11 -0.94 -0.04 0.00 0.21 0.00 0.00 66.02 65.14 1fjc s SER 84 CO 0.29 0.31 0.16 -0.76 0.41 0.00 0.00 173.24 173.64 1fjc s LEU 85 N -0.51 4.39 -0.37 2.44 1.43 -1.26 0.12 118.68 124.92 1fjc s LEU 85 Ca 0.07 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 1fjc s LEU 85 Cb -0.12 -2.21 0.12 0.00 0.03 0.00 0.00 46.19 44.01 1fjc s LEU 85 CO 0.01 0.37 0.15 -0.31 0.23 0.00 0.00 176.35 176.81 1fjc s TYR 86 N -1.10 2.06 0.01 0.29 2.02 0.75 -4.92 117.35 116.46 1fjc s TYR 86 Ca 0.18 -2.18 -0.00 0.00 -0.37 0.00 0.00 57.07 54.70 1fjc s TYR 86 Cb -0.12 -1.93 0.00 0.00 -0.40 0.00 0.00 41.96 39.51 1fjc s TYR 86 CO 0.08 -0.84 0.01 0.98 -1.57 0.00 0.00 175.55 174.20 1fjc n TYR 87 N 4.21 -1.27 -1.73 2.71 9.36 -1.26 0.26 117.16 129.44 1fjc n TYR 87 Ca 0.03 -0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.23 1fjc n TYR 87 Cb 0.39 -0.02 -0.02 0.00 -0.63 0.00 0.00 39.34 39.06 1fjc n TYR 87 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1fjc n THR 88 N -2.65 0.00 -0.12 2.97 5.66 -1.24 -4.24 114.28 114.66 1fjc n THR 88 Ca 0.00 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1fjc n THR 88 Cb 0.00 0.19 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 1fjc n THR 88 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1fjc n GLY 89 N -0.04 0.37 0.00 1.09 0.00 -1.08 -4.66 105.19 100.87 1fjc n GLY 89 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1fjc n GLY 89 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1fjc n GLU 90 N -0.42 0.00 -0.00 1.61 0.28 -1.26 -4.79 120.64 116.05 1fjc n GLU 90 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1fjc n GLU 90 Cb 0.03 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 32.90 1fjc n GLU 90 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1fjc n LYS 91 N 0.00 1.52 -1.22 3.44 4.81 -1.26 -5.05 118.16 120.40 1fjc n LYS 91 Ca 0.00 -0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.06 1fjc n LYS 91 Cb 0.00 -1.01 0.04 0.00 0.02 0.00 0.00 35.03 34.07 1fjc n LYS 91 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fjc n GLY 92 N 2.67 -2.84 0.00 3.14 0.00 -1.26 -4.80 105.19 102.09 1fjc n GLY 92 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1fjc n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fjc n GLY 93 N 2.37 2.78 0.00 -0.02 0.00 -1.26 -5.13 105.19 103.93 1fjc n GLY 93 Ca 0.07 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1fjc n GLY 93 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1fjc n THR 94 N 0.45 0.00 0.00 2.61 5.66 -1.26 -5.17 114.28 116.57 1fjc n THR 94 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1fjc n THR 94 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1fjc n THR 94 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1fjc n ARG 95 N 0.00 0.00 0.00 1.09 1.85 -1.26 -5.26 116.66 113.08 1fjc n ARG 95 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1fjc n ARG 95 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1fjc n ARG 95 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03