#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 1.55 -0.11 1.43 0.09 -1.26 -4.88 115.29 112.11 1fjc s HIS 2 Ca 0.00 1.10 -0.06 0.00 -0.00 0.00 0.00 55.06 56.10 1fjc s HIS 2 Cb 0.00 -3.85 0.05 0.00 -0.00 0.00 0.00 32.58 28.78 1fjc s HIS 2 CO 0.00 -1.81 0.26 1.41 -0.00 0.00 0.00 174.74 174.61 1fjc s MET 3 N 7.63 0.23 -1.02 1.40 1.75 -1.26 -4.91 119.30 123.12 1fjc s MET 3 Ca 0.78 0.54 -0.01 0.00 -1.25 0.00 0.00 55.69 55.75 1fjc s MET 3 Cb -0.10 -0.09 -0.01 0.00 2.84 0.00 0.00 34.83 37.47 1fjc s MET 3 CO 0.06 -0.15 0.85 1.28 -0.65 0.00 0.00 175.02 176.41 1fjc n LEU 4 N 4.13 -3.91 -4.07 4.11 4.32 -1.26 -5.02 117.00 115.31 1fjc n LEU 4 Ca -0.24 -0.54 -0.27 0.00 -0.02 0.00 0.00 56.01 54.94 1fjc n LEU 4 Cb 0.54 -2.77 -0.17 0.00 -1.62 0.00 0.00 43.42 39.40 1fjc n LEU 4 CO 0.14 0.30 -0.49 -1.61 -1.22 0.00 0.00 177.39 174.51 1fjc s GLU 5 N -5.07 2.10 0.00 3.23 2.02 -1.26 -4.89 118.70 114.83 1fjc s GLU 5 Ca 0.04 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.49 1fjc s GLU 5 Cb -0.01 -1.70 0.00 0.00 0.10 0.00 0.00 34.13 32.52 1fjc s GLU 5 CO 0.63 0.04 0.00 -3.47 0.02 0.00 0.00 175.26 172.48 1fjc n ASP 6 N 3.84 0.00 -1.05 -0.19 -0.08 -1.26 -4.96 116.55 112.85 1fjc n ASP 6 Ca -0.21 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.05 1fjc n ASP 6 Cb 0.52 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.02 1fjc n ASP 6 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1fjc n PRO 7 N 0.00 1.30 -0.01 -0.67 -0.04 -1.26 -3.79 135.00 130.53 1fjc n PRO 7 Ca 0.00 -0.46 -0.02 0.00 -0.04 0.00 0.00 63.50 62.98 1fjc n PRO 7 Cb 0.00 -1.30 -0.01 0.00 -0.04 0.00 0.00 33.50 32.15 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 -2.66 0.07 -0.84 0.00 -1.04 -1.25 -4.14 114.28 104.42 1fjc n THR 9 Ca -0.04 0.02 -0.16 0.00 -2.04 0.00 0.00 64.05 61.83 1fjc n THR 9 Cb 0.54 -0.68 -0.10 0.00 -1.82 0.00 0.00 70.33 68.28 1fjc n THR 9 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1fjc n SER 10 N -1.05 4.90 -0.02 8.00 7.64 -1.26 -4.49 113.62 127.35 1fjc n SER 10 Ca 0.15 -2.31 -0.13 0.00 1.01 0.00 0.00 58.87 57.59 1fjc n SER 10 Cb 0.09 -1.16 -0.08 0.00 -1.01 0.00 0.00 64.21 62.04 1fjc n SER 10 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1fjc h LYS 11 N 4.34 0.09 -0.01 1.43 3.64 -1.96 -2.55 116.57 121.55 1fjc h LYS 11 Ca 0.32 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1fjc h LYS 11 Cb 0.86 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1fjc h LYS 11 CO 0.72 0.42 0.00 1.63 -2.27 0.00 0.00 179.45 179.95 1fjc n LYS 12 N -4.85 1.02 0.07 1.90 5.02 -1.26 -3.07 118.16 116.99 1fjc n LYS 12 Ca -0.07 -0.03 -0.03 0.00 -2.02 0.00 0.00 58.31 56.15 1fjc n LYS 12 Cb 0.21 -1.24 -0.07 0.00 -0.02 0.00 0.00 35.03 33.91 1fjc n LYS 12 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1fjc h VAL 13 N 0.07 1.14 -0.52 -0.18 2.07 -1.75 -3.27 116.25 113.80 1fjc h VAL 13 Ca 0.00 -2.73 0.03 0.00 0.82 0.00 0.00 66.70 64.82 1fjc h VAL 13 Cb 0.01 2.53 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 1fjc h VAL 13 CO 0.00 0.65 0.35 0.08 0.02 0.00 0.00 177.57 178.67 1fjc h ARG 14 N 0.00 0.58 0.00 1.57 0.11 -1.57 0.66 114.38 115.73 1fjc h ARG 14 Ca -0.08 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.97 1fjc h ARG 14 Cb 1.67 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 32.62 1fjc h ARG 14 CO 0.09 0.39 0.01 0.00 0.10 0.00 0.00 179.97 180.56 1fjc n ALA 15 N -2.47 1.02 -0.01 0.08 0.00 -1.23 -2.01 120.51 115.88 1fjc n ALA 15 Ca 0.06 0.16 0.10 0.00 0.00 0.00 0.00 53.44 53.76 1fjc n ALA 15 Cb 0.14 -1.24 0.52 0.00 0.00 0.00 0.00 19.45 18.87 1fjc n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fjc h ALA 16 N 1.97 1.99 -0.24 0.00 0.00 -1.05 0.40 119.26 122.32 1fjc h ALA 16 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1fjc h ALA 16 Cb 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1fjc h ALA 16 CO 0.00 -0.07 0.04 2.89 0.00 0.00 0.00 179.25 182.11 1fjc n ARG 17 N -4.47 2.26 -3.69 0.00 1.85 -0.85 -4.44 116.66 107.31 1fjc n ARG 17 Ca 0.06 -1.14 -0.11 0.00 -1.00 0.00 0.00 57.85 55.66 1fjc n ARG 17 Cb 0.28 -1.72 -0.10 0.00 -1.05 0.00 0.00 32.46 29.87 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 -1.57 -0.02 0.50 8.89 2.01 0.13 0.25 115.64 125.83 1fjc s THR 18 Ca 0.20 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.29 1fjc s THR 18 Cb 0.16 -0.65 -0.02 0.00 0.01 0.00 0.00 72.50 72.00 1fjc s THR 18 CO 0.05 0.03 0.05 -0.76 -0.69 0.00 0.00 174.62 173.31 1fjc s LEU 19 N 1.20 2.43 -0.32 4.42 2.01 0.16 -3.78 118.68 124.80 1fjc s LEU 19 Ca -0.08 -1.56 -0.03 0.00 0.01 0.00 0.00 54.13 52.48 1fjc s LEU 19 Cb -0.07 -0.83 0.06 0.00 0.01 0.00 0.00 46.19 45.36 1fjc s LEU 19 CO -0.11 -0.83 0.04 -0.22 1.01 0.00 0.00 176.35 176.25 1fjc s LEU 20 N -3.91 4.16 0.50 1.79 2.96 0.28 0.09 118.68 124.56 1fjc s LEU 20 Ca 0.13 -1.37 -0.23 0.00 -0.22 0.00 0.00 54.13 52.45 1fjc s LEU 20 Cb 0.02 -1.75 -0.06 0.00 0.50 0.00 0.00 46.19 44.90 1fjc s LEU 20 CO 0.07 -0.31 1.31 0.00 -1.32 0.00 0.00 176.35 176.11 1fjc s ALA 21 N 1.26 2.94 0.24 5.97 0.00 0.70 0.12 121.76 132.99 1fjc s ALA 21 Ca -0.03 1.24 -0.04 0.00 0.00 0.00 0.00 51.96 53.14 1fjc s ALA 21 Cb -0.20 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 1fjc s ALA 21 CO -0.01 -1.13 0.28 0.15 0.00 0.00 0.00 175.76 175.06 1fjc s LYS 22 N -2.74 1.43 -0.85 0.00 -0.14 0.74 -0.10 119.74 118.07 1fjc s LYS 22 Ca 0.67 -1.57 0.00 0.00 -1.36 0.00 0.00 55.97 53.71 1fjc s LYS 22 Cb -0.38 0.35 0.00 0.00 -1.68 0.00 0.00 37.83 36.13 1fjc s LYS 22 CO 0.46 -0.53 0.00 -1.71 -0.76 0.00 0.00 175.35 172.80 1fjc n ASN 23 N -0.55 -5.71 -3.69 2.83 5.15 -0.21 0.06 115.26 113.14 1fjc n ASN 23 Ca 0.01 0.20 0.00 0.00 -0.60 0.00 0.00 54.58 54.19 1fjc n ASN 23 Cb 0.64 -3.97 0.00 0.00 -0.53 0.00 0.00 39.78 35.92 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 -0.92 0.00 -4.26 1.20 4.32 0.17 -4.71 117.00 112.80 1fjc n LEU 24 Ca -0.08 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.77 1fjc n LEU 24 Cb 0.56 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.26 1fjc n LEU 24 CO 0.12 -0.67 -0.32 -0.55 -1.22 0.00 0.00 177.39 174.75 1fjc s SER 25 N -2.05 1.24 0.00 -1.43 0.15 -1.26 -4.69 113.70 105.66 1fjc s SER 25 Ca 0.00 -1.21 0.20 0.00 0.70 0.00 0.00 55.95 55.64 1fjc s SER 25 Cb 0.00 0.12 0.94 0.00 -1.71 0.00 0.00 66.02 65.37 1fjc s SER 25 CO 0.00 -0.59 1.65 0.49 1.20 0.00 0.00 173.24 175.99 1fjc n PHE 26 N -0.29 0.00 -0.12 3.44 3.01 -1.26 -3.38 117.46 118.86 1fjc n PHE 26 Ca -0.05 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.23 1fjc n PHE 26 Cb 0.64 -0.41 -0.10 0.00 -0.01 0.00 0.00 39.48 39.59 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 -1.41 2.13 -4.08 4.37 5.15 -1.26 -5.00 115.26 115.17 1fjc n ASN 27 Ca 0.07 -0.07 -0.36 0.00 -0.60 0.00 0.00 54.58 53.62 1fjc n ASN 27 Cb 0.21 -0.42 0.06 0.00 -0.53 0.00 0.00 39.78 39.10 1fjc n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1fjc n ILE 28 N -3.31 0.00 -3.86 -1.44 0.13 -1.22 -5.00 119.36 104.67 1fjc n ILE 28 Ca -0.42 -0.33 -0.08 0.00 -1.10 0.00 0.00 62.75 60.81 1fjc n ILE 28 Cb 0.93 -0.13 -0.03 0.00 -0.84 0.00 0.00 39.64 39.57 1fjc n ILE 28 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 1fjc s THR 29 N -2.07 0.01 0.54 9.51 -4.23 -1.26 -4.92 115.64 113.22 1fjc s THR 29 Ca 0.43 -1.03 0.35 0.00 -1.18 0.00 0.00 61.69 60.25 1fjc s THR 29 Cb -0.12 -1.93 0.52 0.00 1.34 0.00 0.00 72.50 72.32 1fjc s THR 29 CO 0.76 -0.03 1.83 -0.08 -0.54 0.00 0.00 174.62 176.57 1fjc h GLU 30 N 2.12 0.00 0.77 3.99 4.22 -1.94 0.02 114.58 123.75 1fjc h GLU 30 Ca -0.24 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.17 1fjc h GLU 30 Cb 1.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1fjc h GLU 30 CO 0.30 0.00 -0.49 0.22 -2.18 0.00 0.00 179.01 176.87 1fjc h ASP 31 N 0.00 -1.24 -0.73 1.04 3.58 -1.97 2.25 116.42 119.36 1fjc h ASP 31 Ca 0.50 0.07 0.02 0.00 0.42 0.00 0.00 57.03 58.04 1fjc h ASP 31 Cb 2.05 0.36 -0.04 0.00 1.72 0.00 0.00 39.33 43.42 1fjc h ASP 31 CO -0.01 -0.74 0.48 -0.33 -2.88 0.00 0.00 179.24 175.77 1fjc h GLU 32 N -1.18 0.93 -0.03 0.28 5.08 -1.46 0.46 114.58 118.66 1fjc h GLU 32 Ca -0.10 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 1fjc h GLU 32 Cb 0.95 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1fjc h GLU 32 CO 0.09 0.61 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.27 1fjc h LEU 33 N 0.96 0.07 -0.29 1.33 3.38 -0.52 0.47 115.31 120.70 1fjc h LEU 33 Ca 0.28 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.13 1fjc h LEU 33 Cb -0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1fjc h LEU 33 CO -0.07 0.45 -0.42 0.50 0.09 0.00 0.00 178.44 178.99 1fjc h LYS 34 N 0.06 0.00 0.09 1.13 1.63 0.68 0.59 116.57 120.74 1fjc h LYS 34 Ca 0.00 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.54 1fjc h LYS 34 Cb 0.71 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.34 1fjc h LYS 34 CO 0.05 0.42 -1.14 1.49 -3.45 0.00 0.00 179.45 176.82 1fjc h GLU 35 N 0.00 0.38 0.14 1.90 4.81 0.83 -3.17 114.58 119.47 1fjc h GLU 35 Ca -0.00 -0.53 -0.29 0.00 -0.13 0.00 0.00 59.36 58.41 1fjc h GLU 35 Cb 1.21 0.18 0.01 0.00 0.63 0.00 0.00 28.75 30.78 1fjc h GLU 35 CO 0.06 1.21 -1.30 0.28 -0.73 0.00 0.00 179.01 178.52 1fjc h VAL 36 N 0.16 1.44 -2.31 0.32 2.07 -0.90 -3.35 116.25 113.69 1fjc h VAL 36 Ca -0.13 -3.00 -0.79 0.00 0.82 0.00 0.00 66.70 63.61 1fjc h VAL 36 Cb 1.83 2.94 -0.28 0.00 -1.52 0.00 0.00 31.29 34.25 1fjc h VAL 36 CO 0.20 0.88 0.86 0.49 0.02 0.00 0.00 177.57 180.02 1fjc n PHE 37 N -3.54 2.84 1.86 1.57 3.72 0.19 -4.72 117.46 119.38 1fjc n PHE 37 Ca -0.10 -2.70 0.08 0.00 -0.05 0.00 0.00 57.45 54.68 1fjc n PHE 37 Cb 1.04 -1.14 0.47 0.00 -0.94 0.00 0.00 39.48 38.91 1fjc n PHE 37 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1fjc n GLU 38 N 0.04 0.93 -0.00 -1.08 0.28 -1.20 -2.99 120.64 116.63 1fjc n GLU 38 Ca 0.44 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.45 1fjc n GLU 38 Cb 0.28 -1.27 -0.01 0.00 1.43 0.00 0.00 31.44 31.87 1fjc n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1fjc n ASP 39 N -0.77 0.10 -4.71 -1.84 -0.08 -1.26 -5.04 116.55 102.94 1fjc n ASP 39 Ca 0.12 -0.55 -0.24 0.00 -1.51 0.00 0.00 54.79 52.62 1fjc n ASP 39 Cb 0.05 1.00 0.10 0.00 2.34 0.00 0.00 41.12 44.61 1fjc n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fjc s ALA 40 N -1.19 3.65 -0.02 -1.67 0.00 -1.16 -4.17 121.76 117.21 1fjc s ALA 40 Ca 0.01 -1.61 -0.22 0.00 0.00 0.00 0.00 51.96 50.14 1fjc s ALA 40 Cb 0.01 -2.08 -0.22 0.00 0.00 0.00 0.00 23.12 20.84 1fjc s ALA 40 CO 0.08 -1.38 1.11 -0.07 0.00 0.00 0.00 175.76 175.50 1fjc h LEU 41 N -0.48 0.34 -7.11 0.00 3.38 -0.33 -3.44 115.31 107.67 1fjc h LEU 41 Ca -0.38 -0.71 0.32 0.00 0.09 0.00 0.00 57.88 57.20 1fjc h LEU 41 Cb 1.27 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.77 1fjc h LEU 41 CO 0.43 1.00 0.87 -1.83 0.09 0.00 0.00 178.44 179.01 1fjc s GLU 42 N -3.39 0.26 0.18 1.13 -1.05 -1.04 -5.03 118.70 109.76 1fjc s GLU 42 Ca -0.15 -0.13 0.11 0.00 -0.15 0.00 0.00 54.97 54.65 1fjc s GLU 42 Cb 0.02 0.10 -0.04 0.00 -0.44 0.00 0.00 34.13 33.77 1fjc s GLU 42 CO 0.77 -0.12 -0.21 0.42 0.95 0.00 0.00 175.26 177.07 1fjc s ILE 43 N -2.30 2.53 0.33 1.83 1.09 -1.26 -1.14 121.20 122.28 1fjc s ILE 43 Ca 0.13 -1.90 0.06 0.00 -1.10 0.00 0.00 60.65 57.84 1fjc s ILE 43 Cb 0.03 -2.21 -0.07 0.00 -1.06 0.00 0.00 42.46 39.16 1fjc s ILE 43 CO -0.04 -0.08 -0.01 -0.13 -0.10 0.00 0.00 174.94 174.58 1fjc s ARG 44 N -2.60 1.72 0.26 2.79 1.81 0.73 -4.88 118.95 118.78 1fjc s ARG 44 Ca 0.21 -1.92 0.09 0.00 -1.72 0.00 0.00 55.73 52.38 1fjc s ARG 44 Cb -0.08 -1.26 -0.04 0.00 -0.45 0.00 0.00 34.95 33.12 1fjc s ARG 44 CO 0.10 -0.04 0.03 -0.51 -0.68 0.00 0.00 175.30 174.21 1fjc s LEU 45 N -3.54 3.31 -0.21 2.53 1.43 -1.26 0.11 118.68 121.05 1fjc s LEU 45 Ca 0.33 -0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 52.73 1fjc s LEU 45 Cb 0.07 -1.83 0.06 0.00 0.03 0.00 0.00 46.19 44.52 1fjc s LEU 45 CO 0.15 -0.01 0.52 -0.69 0.23 0.00 0.00 176.35 176.55 1fjc s VAL 46 N -2.29 -0.01 0.00 -1.59 1.01 0.78 -4.52 120.40 113.77 1fjc s VAL 46 Ca 0.32 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1fjc s VAL 46 Cb -0.07 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.56 1fjc s VAL 46 CO 0.21 0.02 0.00 -1.54 0.00 0.00 0.00 175.10 173.79 1fjc n SER 47 N 4.01 0.45 -3.59 3.32 3.41 -1.26 -0.12 113.62 119.84 1fjc n SER 47 Ca -0.21 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.31 1fjc n SER 47 Cb 0.57 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.50 1fjc n SER 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fjc s GLN 48 N 1.61 1.41 -0.61 4.33 1.03 -0.81 -4.69 119.66 121.92 1fjc s GLN 48 Ca 0.00 -0.64 0.00 0.00 0.04 0.00 0.00 55.36 54.76 1fjc s GLN 48 Cb 0.00 0.57 0.00 0.00 0.03 0.00 0.00 33.01 33.61 1fjc s GLN 48 CO 0.00 -0.63 0.00 -0.25 -2.54 0.00 0.00 175.29 171.87 1fjc n ASP 49 N -0.40 -2.07 -2.54 12.60 9.92 -1.26 -0.16 116.55 132.64 1fjc n ASP 49 Ca -0.11 0.25 -0.10 0.00 -0.53 0.00 0.00 54.79 54.29 1fjc n ASP 49 Cb 0.62 -2.01 0.05 0.00 -0.64 0.00 0.00 41.12 39.15 1fjc n ASP 49 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1fjc n GLY 50 N -0.38 -0.13 3.60 0.44 0.00 -1.26 -5.03 105.19 102.43 1fjc n GLY 50 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1fjc n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fjc s LYS 51 N -4.65 0.22 -0.10 1.61 1.02 0.77 -5.12 119.74 113.50 1fjc s LYS 51 Ca 0.06 0.41 -0.33 0.00 0.02 0.00 0.00 55.97 56.13 1fjc s LYS 51 Cb -0.01 0.08 -0.16 0.00 -0.52 0.00 0.00 37.83 37.23 1fjc s LYS 51 CO 0.46 -0.05 0.94 0.45 -0.92 0.00 0.00 175.35 176.23 1fjc n SER 52 N 3.64 0.24 -0.00 2.83 2.88 -1.26 -1.92 113.62 120.03 1fjc n SER 52 Ca -0.16 0.91 0.03 0.00 -1.33 0.00 0.00 58.87 58.31 1fjc n SER 52 Cb 0.56 -0.71 -0.03 0.00 -0.75 0.00 0.00 64.21 63.28 1fjc n SER 52 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1fjc n LYS 53 N 1.68 3.98 0.00 -1.46 3.00 -1.25 -4.71 118.16 119.39 1fjc n LYS 53 Ca 0.18 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 1fjc n LYS 53 Cb 0.03 -0.84 0.00 0.00 0.00 0.00 0.00 35.03 34.22 1fjc n LYS 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fjc n GLY 54 N 1.39 1.94 3.51 3.14 0.00 -1.24 -4.67 105.19 109.26 1fjc n GLY 54 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 2.76 0.08 -0.61 1.01 0.83 -0.66 121.20 122.61 1fjc s ILE 55 Ca 0.00 -2.12 -0.26 0.00 0.00 0.00 0.00 60.65 58.27 1fjc s ILE 55 Cb 0.00 -2.42 0.07 0.00 0.01 0.00 0.00 42.46 40.12 1fjc s ILE 55 CO 0.00 -0.30 0.64 0.00 0.00 0.00 0.00 174.94 175.28 1fjc s ALA 56 N -2.19 -1.66 -0.29 9.38 0.00 0.85 0.27 121.76 128.13 1fjc s ALA 56 Ca 0.28 0.78 -0.06 0.00 0.00 0.00 0.00 51.96 52.95 1fjc s ALA 56 Cb -0.06 0.57 0.01 0.00 0.00 0.00 0.00 23.12 23.64 1fjc s ALA 56 CO 0.15 -0.63 0.07 0.71 0.00 0.00 0.00 175.76 176.05 1fjc s TYR 57 N -2.88 3.13 -0.25 0.00 2.02 0.12 0.25 117.35 119.75 1fjc s TYR 57 Ca -0.03 -0.97 -0.09 0.00 -0.37 0.00 0.00 57.07 55.61 1fjc s TYR 57 Cb -0.01 -2.24 -0.04 0.00 -0.40 0.00 0.00 41.96 39.27 1fjc s TYR 57 CO -0.05 -0.57 0.13 0.42 -1.57 0.00 0.00 175.55 173.91 1fjc s ILE 58 N 1.50 4.95 -0.35 2.71 -1.09 0.11 0.26 121.20 129.28 1fjc s ILE 58 Ca 0.03 0.04 -0.01 0.00 -2.23 0.00 0.00 60.65 58.48 1fjc s ILE 58 Cb -0.17 -3.31 0.09 0.00 -1.58 0.00 0.00 42.46 37.49 1fjc s ILE 58 CO 0.02 0.33 0.10 -1.83 -1.23 0.00 0.00 174.94 172.33 1fjc s GLU 59 N 1.33 2.01 0.85 2.79 -1.05 -0.29 0.40 118.70 124.74 1fjc s GLU 59 Ca 0.06 -1.65 -0.14 0.00 -0.15 0.00 0.00 54.97 53.09 1fjc s GLU 59 Cb -0.15 -3.35 0.20 0.00 -0.44 0.00 0.00 34.13 30.40 1fjc s GLU 59 CO 0.06 -0.89 0.94 1.19 0.95 0.00 0.00 175.26 177.50 1fjc n PHE 60 N 4.52 -3.85 0.70 4.83 3.01 0.69 0.26 117.46 127.61 1fjc n PHE 60 Ca -0.04 -0.84 0.11 0.00 1.01 0.00 0.00 57.45 57.69 1fjc n PHE 60 Cb 0.42 -0.83 0.04 0.00 -0.01 0.00 0.00 39.48 39.10 1fjc n PHE 60 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1fjc n LYS 61 N -3.61 0.20 -3.64 -1.08 4.81 -1.26 -4.07 118.16 109.51 1fjc n LYS 61 Ca 0.12 -0.01 -0.15 0.00 -0.87 0.00 0.00 58.31 57.41 1fjc n LYS 61 Cb 0.45 -1.56 -0.08 0.00 0.02 0.00 0.00 35.03 33.86 1fjc n LYS 61 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1fjc s SER 62 N -3.64 -0.51 0.24 3.14 0.01 -1.26 -5.01 113.70 106.66 1fjc s SER 62 Ca 0.05 0.71 -0.05 0.00 1.31 0.00 0.00 55.95 57.97 1fjc s SER 62 Cb 0.15 0.71 0.42 0.00 0.21 0.00 0.00 66.02 67.52 1fjc s SER 62 CO 0.80 -0.41 1.73 -0.08 0.41 0.00 0.00 173.24 175.68 1fjc h GLU 63 N 4.08 0.40 -0.29 12.44 4.81 -1.87 0.30 114.58 134.44 1fjc h GLU 63 Ca -0.28 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 1fjc h GLU 63 Cb 1.16 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1fjc h GLU 63 CO 0.30 0.27 0.14 0.00 -0.73 0.00 0.00 179.01 178.99 1fjc h ALA 64 N 1.53 1.70 0.27 2.92 0.00 -1.96 1.05 119.26 124.78 1fjc h ALA 64 Ca 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1fjc h ALA 64 Cb 0.59 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1fjc h ALA 64 CO -0.40 0.25 -0.13 0.22 0.00 0.00 0.00 179.25 179.19 1fjc h ASP 65 N 0.40 -0.31 -0.77 0.00 3.58 -0.89 0.61 116.42 119.05 1fjc h ASP 65 Ca 0.10 -0.22 -0.03 0.00 0.42 0.00 0.00 57.03 57.30 1fjc h ASP 65 Cb 0.04 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.14 1fjc h ASP 65 CO -0.02 0.14 0.36 0.00 -2.88 0.00 0.00 179.24 176.85 1fjc h ALA 66 N -0.37 1.17 -0.40 -0.78 0.00 -0.79 -0.68 119.26 117.41 1fjc h ALA 66 Ca -0.04 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1fjc h ALA 66 Cb 0.51 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1fjc h ALA 66 CO 0.06 0.63 -0.36 1.49 0.00 0.00 0.00 179.25 181.07 1fjc h GLU 67 N 1.11 0.93 -0.14 0.00 4.81 0.12 0.37 114.58 121.78 1fjc h GLU 67 Ca 0.27 -0.47 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1fjc h GLU 67 Cb 0.13 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1fjc h GLU 67 CO -0.03 1.13 0.07 -0.22 -0.73 0.00 0.00 179.01 179.23 1fjc h LYS 68 N 0.77 0.20 -0.69 1.92 1.63 0.68 0.42 116.57 121.48 1fjc h LYS 68 Ca 0.07 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.78 1fjc h LYS 68 Cb 0.95 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.51 1fjc h LYS 68 CO 0.09 0.24 0.21 -0.91 -3.45 0.00 0.00 179.45 175.63 1fjc h ASN 69 N 0.10 1.00 -0.70 4.20 -0.26 -1.07 1.54 115.58 120.40 1fjc h ASN 69 Ca 0.05 -0.19 -0.02 0.00 -0.56 0.00 0.00 56.30 55.58 1fjc h ASN 69 Cb 0.11 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 37.07 1fjc h ASN 69 CO -0.01 0.94 0.36 0.25 -1.06 0.00 0.00 177.43 177.92 1fjc h LEU 70 N 1.03 0.91 -1.47 1.61 7.12 -0.45 0.17 115.31 124.24 1fjc h LEU 70 Ca 0.23 -0.09 0.00 0.00 0.13 0.00 0.00 57.88 58.15 1fjc h LEU 70 Cb 0.30 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 40.20 1fjc h LEU 70 CO -0.01 0.76 -0.22 1.21 -0.13 0.00 0.00 178.44 180.05 1fjc n GLU 71 N -4.34 1.77 -0.00 1.25 4.07 0.10 -3.88 120.64 119.60 1fjc n GLU 71 Ca 0.07 -1.45 0.05 0.00 -0.06 0.00 0.00 57.16 55.76 1fjc n GLU 71 Cb 0.12 -1.45 -0.06 0.00 -0.06 0.00 0.00 31.44 29.99 1fjc n GLU 71 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1fjc n GLU 72 N 0.67 1.99 0.02 5.31 0.00 0.52 -4.89 120.64 124.26 1fjc n GLU 72 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.23 1fjc n GLU 72 Cb 0.52 -1.09 0.00 0.00 0.00 0.00 0.00 31.44 30.87 1fjc n GLU 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1fjc n LYS 73 N -1.55 0.00 -2.62 5.31 0.00 0.57 -4.99 118.16 114.89 1fjc n LYS 73 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1fjc n LYS 73 Cb 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 35.03 35.14 1fjc n LYS 73 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1fjc n GLN 74 N -2.74 -0.54 0.00 1.64 -0.06 -1.18 -3.91 117.38 110.59 1fjc n GLN 74 Ca 0.00 0.77 0.00 0.00 -2.00 0.00 0.00 57.00 55.77 1fjc n GLN 74 Cb 0.00 -0.74 0.00 0.00 -4.06 0.00 0.00 30.24 25.44 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 1.58 2.03 1.70 1.69 0.00 0.38 -4.82 105.19 107.75 1fjc n GLY 75 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.13 -2.33 -1.49 4.61 0.00 -1.25 0.26 120.51 120.43 1fjc n ALA 76 Ca 0.00 0.33 -0.15 0.00 0.00 0.00 0.00 53.44 53.63 1fjc n ALA 76 Cb 0.00 -1.11 -0.11 0.00 0.00 0.00 0.00 19.45 18.23 1fjc n ALA 76 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1fjc n GLU 77 N 1.30 0.08 -3.76 0.00 2.13 -1.26 -3.93 120.64 115.19 1fjc n GLU 77 Ca 0.00 -1.57 -0.15 0.00 0.66 0.00 0.00 57.16 56.10 1fjc n GLU 77 Cb 0.00 -3.70 -0.06 0.00 0.27 0.00 0.00 31.44 27.95 1fjc n GLU 77 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1fjc n ILE 78 N 8.74 0.00 -2.45 6.31 5.41 0.19 -4.83 119.36 132.74 1fjc n ILE 78 Ca 0.39 -1.92 -0.04 0.00 1.00 0.00 0.00 62.75 62.18 1fjc n ILE 78 Cb 0.47 0.96 -0.01 0.00 -0.71 0.00 0.00 39.64 40.35 1fjc n ILE 78 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1fjc n ASP 79 N -1.95 -0.95 -1.08 4.38 5.75 -1.26 0.32 116.55 121.76 1fjc n ASP 79 Ca 0.06 0.26 -0.11 0.00 -0.01 0.00 0.00 54.79 54.98 1fjc n ASP 79 Cb 0.48 -0.92 -0.03 0.00 -1.03 0.00 0.00 41.12 39.62 1fjc n ASP 79 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fjc n GLY 80 N -0.50 0.63 0.00 6.12 0.00 -1.26 -4.82 105.19 105.36 1fjc n GLY 80 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1fjc n GLY 80 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1fjc n ARG 81 N -2.41 -2.44 -3.46 1.61 1.85 0.95 -5.13 116.66 107.63 1fjc n ARG 81 Ca -0.12 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.36 1fjc n ARG 81 Cb 0.48 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.82 1fjc n ARG 81 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1fjc s SER 82 N -1.70 6.50 0.26 2.89 1.04 -1.25 -0.63 113.70 120.80 1fjc s SER 82 Ca 0.00 0.59 -0.30 0.00 0.48 0.00 0.00 55.95 56.72 1fjc s SER 82 Cb 0.00 -2.21 -0.09 0.00 0.10 0.00 0.00 66.02 63.81 1fjc s SER 82 CO 0.00 0.06 1.01 0.54 0.98 0.00 0.00 173.24 175.83 1fjc s VAL 83 N 0.58 3.82 -0.03 5.02 0.11 0.74 -4.67 120.40 125.97 1fjc s VAL 83 Ca 0.19 1.83 -0.20 0.00 -2.93 0.00 0.00 61.98 60.88 1fjc s VAL 83 Cb -0.14 -4.17 -0.05 0.00 -1.53 0.00 0.00 36.38 30.50 1fjc s VAL 83 CO 0.06 0.44 0.57 -0.44 -3.33 0.00 0.00 175.10 172.40 1fjc s SER 84 N -1.04 6.92 -0.24 3.54 0.01 0.11 0.14 113.70 123.14 1fjc s SER 84 Ca 0.43 1.09 -0.09 0.00 1.31 0.00 0.00 55.95 58.69 1fjc s SER 84 Cb -0.29 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 1fjc s SER 84 CO 0.36 0.08 0.12 -0.76 0.41 0.00 0.00 173.24 173.45 1fjc s LEU 85 N -0.01 3.84 -0.67 2.44 1.43 -1.26 0.26 118.68 124.71 1fjc s LEU 85 Ca 0.30 -0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.33 1fjc s LEU 85 Cb -0.18 -2.03 0.17 0.00 0.03 0.00 0.00 46.19 44.19 1fjc s LEU 85 CO 0.16 0.02 0.50 -0.31 0.23 0.00 0.00 176.35 176.96 1fjc s TYR 86 N 1.29 3.48 0.77 0.29 1.51 0.31 -4.86 117.35 120.15 1fjc s TYR 86 Ca 0.06 -2.57 -0.08 0.00 -1.01 0.00 0.00 57.07 53.47 1fjc s TYR 86 Cb -0.14 -3.32 0.13 0.00 -0.11 0.00 0.00 41.96 38.51 1fjc s TYR 86 CO 0.05 -0.87 0.29 0.98 -1.11 0.00 0.00 175.55 174.89 1fjc n TYR 87 N 3.58 -2.07 -2.57 2.71 9.36 -1.26 0.10 117.16 127.02 1fjc n TYR 87 Ca 0.09 0.10 -0.02 0.00 3.32 0.00 0.00 57.90 61.40 1fjc n TYR 87 Cb 0.40 -1.19 0.08 0.00 -0.63 0.00 0.00 39.34 38.00 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 -3.89 0.00 -0.77 2.97 5.66 -1.25 -4.42 114.28 112.59 1fjc n THR 88 Ca 0.05 -0.64 0.00 0.00 -3.05 0.00 0.00 64.05 60.40 1fjc n THR 88 Cb 0.20 0.81 0.00 0.00 -1.55 0.00 0.00 70.33 69.79 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 -1.00 -1.16 2.27 1.09 0.00 -1.26 -4.31 105.19 100.82 1fjc n GLY 89 Ca -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 1fjc n GLY 89 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1fjc n GLU 90 N -0.09 -0.94 -0.05 1.61 0.00 -1.26 -4.69 120.64 115.22 1fjc n GLU 90 Ca 0.00 1.17 -0.02 0.00 0.00 0.00 0.00 57.16 58.31 1fjc n GLU 90 Cb 0.39 -3.73 -0.01 0.00 0.00 0.00 0.00 31.44 28.09 1fjc n GLU 90 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1fjc h LYS 91 N 0.60 0.00 -1.44 5.31 3.64 -1.99 -3.51 116.57 119.19 1fjc h LYS 91 Ca 0.00 0.00 0.38 0.00 -1.27 0.00 0.00 60.65 59.76 1fjc h LYS 91 Cb 0.79 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.50 1fjc h LYS 91 CO 0.13 0.00 0.96 0.20 -2.27 0.00 0.00 179.45 178.47 1fjc s GLY 92 N -3.63 -0.38 0.00 5.01 0.00 -1.26 -5.11 107.32 101.95 1fjc s GLY 92 Ca -0.07 0.64 0.00 0.00 0.00 0.00 0.00 44.72 45.29 1fjc s GLY 92 CO 0.10 2.23 0.00 0.61 0.00 0.00 0.00 173.10 176.05 1fjc n GLY 93 N -0.65 -1.48 2.74 0.20 0.00 -1.26 -5.06 105.19 99.67 1fjc n GLY 93 Ca -0.05 0.47 -0.34 0.00 0.00 0.00 0.00 46.02 46.10 1fjc n GLY 93 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1fjc n THR 94 N 0.00 3.58 -0.79 2.61 -1.04 -1.26 -5.06 114.28 112.33 1fjc n THR 94 Ca 0.00 -4.96 0.00 0.00 -2.04 0.00 0.00 64.05 57.05 1fjc n THR 94 Cb 0.00 -1.32 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 1fjc n THR 94 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1fjc n ARG 95 N -0.40 0.00 -0.41 -2.82 1.74 -1.26 -5.38 116.66 108.13 1fjc n ARG 95 Ca 0.45 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 1fjc n ARG 95 Cb 0.39 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.83 1fjc n ARG 95 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52