#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjc n HIS 2 N 0.00 -0.02 -3.85 0.66 8.25 -1.26 -5.15 115.22 113.85 1fjc n HIS 2 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 1fjc n HIS 2 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 1fjc n HIS 2 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1fjc s MET 3 N -1.01 1.06 -0.29 -0.41 -2.45 -1.26 -5.17 119.30 109.77 1fjc s MET 3 Ca 0.00 -1.00 -0.25 0.00 -1.25 0.00 0.00 55.69 53.19 1fjc s MET 3 Cb 0.00 0.39 0.17 0.00 1.25 0.00 0.00 34.83 36.64 1fjc s MET 3 CO 0.00 -0.38 1.30 -0.48 1.05 0.00 0.00 175.02 176.51 1fjc s LEU 4 N -2.90 -0.19 -0.33 4.11 0.05 -1.26 -5.12 118.68 113.04 1fjc s LEU 4 Ca 0.10 0.36 -0.08 0.00 0.05 0.00 0.00 54.13 54.56 1fjc s LEU 4 Cb 0.03 1.37 0.21 0.00 -2.05 0.00 0.00 46.19 45.76 1fjc s LEU 4 CO -0.06 -0.07 1.12 -0.70 -0.55 0.00 0.00 176.35 176.09 1fjc s GLU 5 N 0.05 0.16 -0.12 1.48 2.56 -1.26 -5.08 118.70 116.49 1fjc s GLU 5 Ca 0.06 -0.16 -0.09 0.00 0.00 0.00 0.00 54.97 54.79 1fjc s GLU 5 Cb -0.05 -0.01 0.03 0.00 2.00 0.00 0.00 34.13 36.11 1fjc s GLU 5 CO -0.12 -0.20 0.17 -3.47 -0.56 0.00 0.00 175.26 171.08 1fjc n ASP 6 N 2.62 -2.70 -0.91 -1.70 2.03 -1.26 -4.77 116.55 109.85 1fjc n ASP 6 Ca 0.11 1.36 -0.01 0.00 0.52 0.00 0.00 54.79 56.77 1fjc n ASP 6 Cb 0.65 -4.58 0.04 0.00 -0.72 0.00 0.00 41.12 36.52 1fjc n ASP 6 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1fjc n PRO 7 N 1.89 1.37 -1.70 -0.67 -0.04 -1.26 -4.79 135.00 129.80 1fjc n PRO 7 Ca -0.29 -0.43 -0.16 0.00 -0.04 0.00 0.00 63.50 62.58 1fjc n PRO 7 Cb 0.45 -1.40 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 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 -2.95 0.00 -2.50 0.00 -1.04 -1.26 -5.01 114.28 101.52 1fjc n THR 9 Ca -0.17 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.71 1fjc n THR 9 Cb 0.56 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.06 1fjc n THR 9 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1fjc n SER 10 N -1.46 -3.99 -0.05 8.00 3.41 -1.26 -4.84 113.62 113.42 1fjc n SER 10 Ca 0.00 0.15 -0.14 0.00 -0.26 0.00 0.00 58.87 58.62 1fjc n SER 10 Cb 0.00 -3.38 -0.12 0.00 -0.26 0.00 0.00 64.21 60.44 1fjc n SER 10 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1fjc h LYS 11 N -0.07 0.04 -0.29 4.33 3.11 -1.97 -3.22 116.57 118.49 1fjc h LYS 11 Ca -0.31 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.48 1fjc h LYS 11 Cb 1.23 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.47 1fjc h LYS 11 CO 0.37 0.91 0.00 0.36 -2.81 0.00 0.00 179.45 178.27 1fjc n LYS 12 N -4.62 1.47 -0.03 1.90 -0.00 -1.26 -3.36 118.16 112.25 1fjc n LYS 12 Ca -0.10 -0.62 0.04 0.00 -0.00 0.00 0.00 58.31 57.63 1fjc n LYS 12 Cb 0.46 -1.22 -0.16 0.00 -0.00 0.00 0.00 35.03 34.11 1fjc n LYS 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1fjc n VAL 13 N 0.02 0.49 0.06 0.58 0.31 -1.22 -4.23 118.33 114.34 1fjc n VAL 13 Ca 0.06 -0.62 -0.05 0.00 -0.01 0.00 0.00 64.34 63.72 1fjc n VAL 13 Cb 0.19 -0.18 -0.09 0.00 -0.91 0.00 0.00 33.84 32.85 1fjc n VAL 13 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1fjc h ARG 14 N 0.00 0.00 0.00 5.55 -0.00 -1.60 -3.25 114.38 115.08 1fjc h ARG 14 Ca -0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.79 1fjc h ARG 14 Cb 1.41 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.38 1fjc h ARG 14 CO 0.01 0.76 -0.05 0.00 -0.00 0.00 0.00 179.97 180.69 1fjc h ALA 15 N 1.13 1.00 -0.36 0.08 0.00 -1.75 -3.10 119.26 116.26 1fjc h ALA 15 Ca -0.07 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1fjc h ALA 15 Cb 1.72 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1fjc h ALA 15 CO 0.10 0.06 -0.28 0.00 0.00 0.00 0.00 179.25 179.13 1fjc h ALA 16 N 1.95 0.52 -0.38 0.00 0.00 -1.73 -2.33 119.26 117.30 1fjc h ALA 16 Ca -0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1fjc h ALA 16 Cb 0.62 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1fjc h ALA 16 CO 0.01 0.54 0.14 2.89 0.00 0.00 0.00 179.25 182.83 1fjc n ARG 17 N -4.19 2.36 -3.93 0.00 1.85 -1.17 -4.28 116.66 107.31 1fjc n ARG 17 Ca -0.02 -1.54 -0.10 0.00 -1.00 0.00 0.00 57.85 55.18 1fjc n ARG 17 Cb 0.48 -1.75 -0.12 0.00 -1.05 0.00 0.00 32.46 30.01 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 -1.77 0.06 0.17 8.89 2.01 -1.05 0.26 115.64 124.21 1fjc s THR 18 Ca 0.28 -0.49 -0.04 0.00 0.31 0.00 0.00 61.69 61.75 1fjc s THR 18 Cb 0.22 -0.15 -0.03 0.00 0.01 0.00 0.00 72.50 72.55 1fjc s THR 18 CO 0.07 -0.27 0.18 -1.48 -0.69 0.00 0.00 174.62 172.43 1fjc s LEU 19 N -0.78 1.26 -0.24 4.42 2.34 0.16 -3.35 118.68 122.49 1fjc s LEU 19 Ca -0.09 -1.13 -0.06 0.00 0.06 0.00 0.00 54.13 52.91 1fjc s LEU 19 Cb -0.05 0.70 -0.02 0.00 -0.56 0.00 0.00 46.19 46.26 1fjc s LEU 19 CO -0.00 -0.84 0.03 -0.22 -1.06 0.00 0.00 176.35 174.25 1fjc s LEU 20 N -3.05 3.23 0.28 1.48 2.96 0.75 0.72 118.68 125.05 1fjc s LEU 20 Ca 0.26 -0.28 -0.29 0.00 -0.22 0.00 0.00 54.13 53.60 1fjc s LEU 20 Cb 0.05 -1.85 -0.09 0.00 0.50 0.00 0.00 46.19 44.80 1fjc s LEU 20 CO 0.04 -0.03 1.05 0.00 -1.32 0.00 0.00 176.35 176.09 1fjc s ALA 21 N 1.55 3.36 0.26 5.97 0.00 0.76 0.27 121.76 133.93 1fjc s ALA 21 Ca 0.06 0.79 0.04 0.00 0.00 0.00 0.00 51.96 52.86 1fjc s ALA 21 Cb -0.15 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 1fjc s ALA 21 CO 0.01 -0.05 0.15 1.17 0.00 0.00 0.00 175.76 177.05 1fjc n LYS 22 N 1.18 0.48 -1.30 0.00 4.81 0.71 0.88 118.16 124.92 1fjc n LYS 22 Ca -0.01 -2.41 -0.12 0.00 -0.87 0.00 0.00 58.31 54.90 1fjc n LYS 22 Cb 0.46 1.64 -0.05 0.00 0.02 0.00 0.00 35.03 37.10 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 -1.88 -4.36 -3.47 3.14 5.15 -1.03 -0.37 115.26 112.44 1fjc n ASN 23 Ca 0.01 0.31 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 1fjc n ASN 23 Cb 0.43 -3.63 0.00 0.00 -0.53 0.00 0.00 39.78 36.05 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 -1.58 0.00 0.00 1.20 4.77 0.21 -4.44 117.00 117.16 1fjc n LEU 24 Ca -0.12 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.79 1fjc n LEU 24 Cb 0.50 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1fjc n LEU 24 CO 0.19 -0.16 -0.04 -0.24 -1.33 0.00 0.00 177.39 175.81 1fjc n SER 25 N 0.00 1.20 0.04 -1.43 2.88 -1.26 -4.67 113.62 110.37 1fjc n SER 25 Ca 0.00 -1.54 0.01 0.00 -1.33 0.00 0.00 58.87 56.01 1fjc n SER 25 Cb 0.00 0.23 -0.08 0.00 -0.75 0.00 0.00 64.21 63.61 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 -0.24 0.96 -0.02 0.66 3.01 -1.26 -4.28 117.46 116.29 1fjc n PHE 26 Ca -0.02 0.32 -0.18 0.00 1.01 0.00 0.00 57.45 58.57 1fjc n PHE 26 Cb 0.15 -1.07 -0.14 0.00 -0.01 0.00 0.00 39.48 38.41 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 -2.86 1.80 -4.07 4.37 5.15 -1.26 -4.95 115.26 113.44 1fjc n ASN 27 Ca -0.09 0.20 -0.36 0.00 -0.60 0.00 0.00 54.58 53.73 1fjc n ASN 27 Cb 0.82 -0.60 0.06 0.00 -0.53 0.00 0.00 39.78 39.52 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 -3.35 0.00 -3.77 -1.44 3.06 -1.26 -5.00 119.36 107.60 1fjc n ILE 28 Ca -0.31 -0.37 -0.09 0.00 -2.50 0.00 0.00 62.75 59.48 1fjc n ILE 28 Cb 1.05 -0.11 0.02 0.00 0.54 0.00 0.00 39.64 41.13 1fjc n ILE 28 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1fjc n THR 29 N -2.89 0.00 -0.17 9.51 -2.24 -1.26 -4.93 114.28 112.30 1fjc n THR 29 Ca -0.01 -1.02 0.22 0.00 -2.27 0.00 0.00 64.05 60.97 1fjc n THR 29 Cb 0.59 0.93 0.61 0.00 -2.10 0.00 0.00 70.33 70.36 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 0.20 -0.05 -0.78 4.81 -1.92 0.30 114.58 117.14 1fjc h GLU 30 Ca -0.30 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1fjc h GLU 30 Cb 1.13 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1fjc h GLU 30 CO 0.38 0.13 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.32 1fjc h ASP 31 N 0.20 -0.12 -0.12 1.04 5.19 -1.96 2.16 116.42 122.82 1fjc h ASP 31 Ca 0.41 0.03 -0.13 0.00 -0.62 0.00 0.00 57.03 56.72 1fjc h ASP 31 Cb 1.30 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.86 1fjc h ASP 31 CO -0.09 -0.06 -0.35 -0.33 -3.12 0.00 0.00 179.24 175.30 1fjc h GLU 32 N -0.05 0.62 -0.37 3.56 5.08 -1.41 0.61 114.58 122.64 1fjc h GLU 32 Ca 0.03 -0.29 -0.16 0.00 -1.00 0.00 0.00 59.36 57.94 1fjc h GLU 32 Cb 0.10 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1fjc h GLU 32 CO -0.08 0.88 -0.39 -0.07 -1.00 0.00 0.00 179.01 178.36 1fjc h LEU 33 N 0.52 0.98 -0.85 1.33 3.38 -0.52 0.39 115.31 120.54 1fjc h LEU 33 Ca 0.05 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.50 1fjc h LEU 33 Cb 0.85 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1fjc h LEU 33 CO 0.07 1.25 -0.24 0.50 0.09 0.00 0.00 178.44 180.11 1fjc h LYS 34 N 0.72 0.00 0.00 1.13 1.63 0.38 -0.60 116.57 119.83 1fjc h LYS 34 Ca 0.06 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.71 1fjc h LYS 34 Cb 0.98 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.59 1fjc h LYS 34 CO 0.09 0.24 -0.87 1.49 -3.45 0.00 0.00 179.45 176.96 1fjc h GLU 35 N 0.00 0.00 0.14 1.90 4.81 0.76 -0.15 114.58 122.04 1fjc h GLU 35 Ca -0.00 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.99 1fjc h GLU 35 Cb 0.86 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.26 1fjc h GLU 35 CO 0.03 0.54 -1.12 0.28 -0.73 0.00 0.00 179.01 178.01 1fjc h VAL 36 N 0.00 1.29 0.06 0.32 2.07 0.10 -3.36 116.25 116.72 1fjc h VAL 36 Ca -0.06 -2.49 -0.22 0.00 0.82 0.00 0.00 66.70 64.76 1fjc h VAL 36 Cb 1.53 2.98 0.02 0.00 -1.52 0.00 0.00 31.29 34.31 1fjc h VAL 36 CO 0.07 0.72 -0.88 -0.26 0.02 0.00 0.00 177.57 177.24 1fjc h PHE 37 N -0.31 0.78 -4.77 1.57 0.04 -1.23 -3.46 116.94 109.56 1fjc h PHE 37 Ca -0.22 -0.46 -0.03 0.00 2.80 0.00 0.00 57.97 60.06 1fjc h PHE 37 Cb 1.73 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 39.79 1fjc h PHE 37 CO 0.16 1.30 -0.04 0.39 -0.60 0.00 0.00 178.31 179.52 1fjc n GLU 38 N -4.04 -2.72 0.00 1.51 1.02 -0.07 -4.27 120.64 112.07 1fjc n GLU 38 Ca -0.12 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1fjc n GLU 38 Cb 0.81 -4.12 0.00 0.00 -0.02 0.00 0.00 31.44 28.11 1fjc n GLU 38 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1fjc n ASP 39 N -1.41 0.00 -3.01 1.62 -0.08 -1.26 -5.10 116.55 107.30 1fjc n ASP 39 Ca 0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1fjc n ASP 39 Cb 0.45 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.91 1fjc n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fjc n ALA 40 N -1.10 0.00 -0.13 -1.67 0.00 -1.26 -4.38 120.51 111.97 1fjc n ALA 40 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1fjc n ALA 40 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1fjc n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fjc n LEU 41 N 0.00 2.44 -3.71 0.00 4.77 0.65 -4.64 117.00 116.51 1fjc n LEU 41 Ca 0.00 0.12 -0.09 0.00 -0.03 0.00 0.00 56.01 56.01 1fjc n LEU 41 Cb 0.00 -0.88 -0.02 0.00 -2.33 0.00 0.00 43.42 40.18 1fjc n LEU 41 CO 0.00 0.74 0.41 -1.61 -1.33 0.00 0.00 177.39 175.60 1fjc s GLU 42 N -2.51 1.56 0.04 3.23 2.02 -0.91 -5.00 118.70 117.13 1fjc s GLU 42 Ca -0.36 -0.82 0.03 0.00 0.02 0.00 0.00 54.97 53.84 1fjc s GLU 42 Cb 0.11 0.58 -0.02 0.00 0.10 0.00 0.00 34.13 34.91 1fjc s GLU 42 CO 0.56 -0.70 -0.10 0.42 0.02 0.00 0.00 175.26 175.46 1fjc s ILE 43 N -3.86 0.73 0.33 -1.63 1.09 -1.26 -0.88 121.20 115.73 1fjc s ILE 43 Ca 0.08 -1.00 0.06 0.00 -1.10 0.00 0.00 60.65 58.68 1fjc s ILE 43 Cb -0.03 -0.74 -0.07 0.00 -1.06 0.00 0.00 42.46 40.56 1fjc s ILE 43 CO -0.01 -0.22 0.01 -0.13 -0.10 0.00 0.00 174.94 174.49 1fjc s ARG 44 N -1.36 1.70 0.32 2.79 0.52 0.75 -4.83 118.95 118.85 1fjc s ARG 44 Ca -0.05 -1.93 0.08 0.00 -0.52 0.00 0.00 55.73 53.31 1fjc s ARG 44 Cb -0.09 -1.16 -0.04 0.00 0.52 0.00 0.00 34.95 34.18 1fjc s ARG 44 CO 0.01 -0.08 0.16 -1.17 0.02 0.00 0.00 175.30 174.24 1fjc s LEU 45 N -3.53 3.40 -0.22 2.53 2.96 -1.26 0.65 118.68 123.20 1fjc s LEU 45 Ca 0.34 -0.63 -0.14 0.00 -0.22 0.00 0.00 54.13 53.48 1fjc s LEU 45 Cb 0.07 -1.92 0.07 0.00 0.50 0.00 0.00 46.19 44.91 1fjc s LEU 45 CO 0.15 -0.24 0.55 -0.69 -1.32 0.00 0.00 176.35 174.81 1fjc s VAL 46 N -2.35 -0.01 0.00 1.68 1.01 0.79 -4.46 120.40 117.06 1fjc s VAL 46 Ca 0.37 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1fjc s VAL 46 Cb -0.04 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.53 1fjc s VAL 46 CO 0.23 0.01 0.00 -1.54 0.00 0.00 0.00 175.10 173.81 1fjc n SER 47 N 3.96 0.00 0.00 3.32 3.41 -1.26 -0.16 113.62 122.89 1fjc n SER 47 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 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 1.67 -0.16 0.00 0.00 175.04 176.55 1fjc n GLN 48 N 0.00 3.53 0.30 4.33 -0.06 -0.78 -4.69 117.38 120.02 1fjc n GLN 48 Ca 0.00 0.00 0.19 0.00 -2.00 0.00 0.00 57.00 55.19 1fjc n GLN 48 Cb 0.00 0.00 1.02 0.00 -4.06 0.00 0.00 30.24 27.20 1fjc n GLN 48 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 1fjc h ASP 49 N 0.00 0.00 0.00 1.69 5.19 -2.02 -3.37 116.42 117.91 1fjc h ASP 49 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1fjc h ASP 49 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1fjc h ASP 49 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 1fjc n GLY 50 N -1.23 0.00 3.47 2.75 0.00 -1.26 -5.14 105.19 103.78 1fjc n GLY 50 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 1fjc n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fjc s LYS 51 N 0.00 0.49 0.01 1.61 -2.85 -1.26 -5.12 119.74 112.62 1fjc s LYS 51 Ca 0.00 1.14 -0.36 0.00 -1.00 0.00 0.00 55.97 55.75 1fjc s LYS 51 Cb 0.00 0.68 -0.18 0.00 -2.06 0.00 0.00 37.83 36.27 1fjc s LYS 51 CO 0.00 -0.26 0.96 0.45 0.10 0.00 0.00 175.35 176.60 1fjc n SER 52 N 5.34 -0.06 -0.00 0.03 2.88 -1.26 -1.86 113.62 118.69 1fjc n SER 52 Ca -0.09 1.06 0.01 0.00 -1.33 0.00 0.00 58.87 58.52 1fjc n SER 52 Cb 0.50 -0.84 -0.02 0.00 -0.75 0.00 0.00 64.21 63.10 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 1.35 1.52 0.00 -1.46 0.00 -1.26 -4.75 118.16 113.56 1fjc n LYS 53 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 58.31 58.48 1fjc n LYS 53 Cb 0.08 -0.95 0.00 0.00 0.00 0.00 0.00 35.03 34.16 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 2.06 1.63 3.80 3.14 0.00 -1.24 -4.65 105.19 109.93 1fjc n GLY 54 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 3.85 -0.07 -0.61 1.01 0.78 -0.62 121.20 123.54 1fjc s ILE 55 Ca 0.00 -1.48 -0.29 0.00 0.00 0.00 0.00 60.65 58.88 1fjc s ILE 55 Cb 0.00 -3.22 0.11 0.00 0.01 0.00 0.00 42.46 39.36 1fjc s ILE 55 CO 0.00 -0.27 0.90 0.00 0.00 0.00 0.00 174.94 175.57 1fjc s ALA 56 N -2.25 -1.86 0.15 9.38 0.00 0.25 0.28 121.76 127.71 1fjc s ALA 56 Ca 0.36 1.29 0.02 0.00 0.00 0.00 0.00 51.96 53.63 1fjc s ALA 56 Cb -0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1fjc s ALA 56 CO 0.25 -0.49 0.29 0.71 0.00 0.00 0.00 175.76 176.52 1fjc s TYR 57 N -2.05 3.49 -0.16 0.00 2.02 0.21 0.27 117.35 121.13 1fjc s TYR 57 Ca 0.00 0.16 -0.06 0.00 -0.37 0.00 0.00 57.07 56.80 1fjc s TYR 57 Cb -0.01 -1.70 0.07 0.00 -0.40 0.00 0.00 41.96 39.93 1fjc s TYR 57 CO -0.02 0.51 0.33 0.42 -1.57 0.00 0.00 175.55 175.21 1fjc s ILE 58 N -1.73 -0.49 -0.16 2.71 1.01 0.22 0.27 121.20 123.03 1fjc s ILE 58 Ca 0.35 0.23 -0.05 0.00 0.00 0.00 0.00 60.65 61.18 1fjc s ILE 58 Cb -0.11 -0.53 -0.03 0.00 0.01 0.00 0.00 42.46 41.79 1fjc s ILE 58 CO 0.28 0.10 0.00 -1.61 0.00 0.00 0.00 174.94 173.71 1fjc s GLU 59 N 2.44 3.72 0.44 2.79 2.02 -0.06 0.39 118.70 130.45 1fjc s GLU 59 Ca -0.00 -0.45 0.07 0.00 0.02 0.00 0.00 54.97 54.61 1fjc s GLU 59 Cb -0.12 -3.01 -0.02 0.00 0.10 0.00 0.00 34.13 31.09 1fjc s GLU 59 CO -0.10 0.30 0.31 -0.06 0.02 0.00 0.00 175.26 175.72 1fjc s PHE 60 N 0.25 2.42 0.08 1.61 0.40 0.73 0.24 117.98 123.70 1fjc s PHE 60 Ca -0.00 -0.61 0.31 0.00 -0.60 0.00 0.00 56.93 56.03 1fjc s PHE 60 Cb -0.13 -2.03 1.58 0.00 0.51 0.00 0.00 43.02 42.95 1fjc s PHE 60 CO 0.02 -0.09 1.94 -0.22 0.70 0.00 0.00 175.22 177.57 1fjc h LYS 61 N 1.11 0.00 -1.01 0.44 3.64 -1.82 -3.41 116.57 115.52 1fjc h LYS 61 Ca -0.41 0.00 0.39 0.00 -1.27 0.00 0.00 60.65 59.36 1fjc h LYS 61 Cb 1.27 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.94 1fjc h LYS 61 CO 0.62 0.00 1.00 -1.54 -2.27 0.00 0.00 179.45 177.26 1fjc s SER 62 N -4.61 -0.00 0.33 4.20 1.04 -1.26 -4.96 113.70 108.43 1fjc s SER 62 Ca -0.02 -0.00 0.05 0.00 0.48 0.00 0.00 55.95 56.46 1fjc s SER 62 Cb 0.09 0.00 0.70 0.00 0.10 0.00 0.00 66.02 66.91 1fjc s SER 62 CO 0.33 -0.00 1.87 -0.33 0.98 0.00 0.00 173.24 176.09 1fjc h GLU 63 N 2.00 0.80 -0.86 4.02 3.07 -1.86 0.05 114.58 121.79 1fjc h GLU 63 Ca -0.29 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.51 1fjc h GLU 63 Cb 1.18 -0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 28.87 1fjc h GLU 63 CO 0.28 0.53 0.47 0.00 -1.40 0.00 0.00 179.01 178.89 1fjc h ALA 64 N 1.57 1.20 0.22 3.43 0.00 -1.94 1.46 119.26 125.19 1fjc h ALA 64 Ca 0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1fjc h ALA 64 Cb 0.57 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1fjc h ALA 64 CO -0.21 0.64 -0.10 0.22 0.00 0.00 0.00 179.25 179.80 1fjc h ASP 65 N 1.21 -0.24 0.05 0.00 1.82 -1.44 0.54 116.42 118.36 1fjc h ASP 65 Ca 0.30 -0.28 -0.03 0.00 -0.39 0.00 0.00 57.03 56.64 1fjc h ASP 65 Cb 0.03 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.10 1fjc h ASP 65 CO -0.05 0.22 -0.08 0.00 -1.61 0.00 0.00 179.24 177.71 1fjc h ALA 66 N -0.20 1.73 0.06 -0.78 0.00 -0.94 -0.02 119.26 119.11 1fjc h ALA 66 Ca -0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1fjc h ALA 66 Cb 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1fjc h ALA 66 CO 0.05 0.20 -0.03 0.93 0.00 0.00 0.00 179.25 180.40 1fjc h GLU 67 N 0.10 -0.08 -0.49 0.00 4.39 0.21 0.26 114.58 118.98 1fjc h GLU 67 Ca 0.02 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 1fjc h GLU 67 Cb 0.22 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1fjc h GLU 67 CO 0.01 0.46 0.23 -0.22 -1.16 0.00 0.00 179.01 178.34 1fjc h LYS 68 N -0.71 0.68 0.02 2.33 1.63 -0.68 0.14 116.57 119.98 1fjc h LYS 68 Ca -0.01 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1fjc h LYS 68 Cb 0.59 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 1fjc h LYS 68 CO 0.01 0.53 -0.01 -0.91 -3.45 0.00 0.00 179.45 175.63 1fjc h ASN 69 N 0.68 -0.02 0.14 4.20 2.35 -1.00 0.40 115.58 122.33 1fjc h ASN 69 Ca 0.17 -0.69 -0.02 0.00 -0.55 0.00 0.00 56.30 55.21 1fjc h ASN 69 Cb 0.08 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 1fjc h ASN 69 CO -0.02 0.71 -0.08 0.25 -1.65 0.00 0.00 177.43 176.63 1fjc h LEU 70 N -0.79 0.00 0.00 1.61 6.46 -0.30 1.60 115.31 123.90 1fjc h LEU 70 Ca -0.00 0.00 -0.22 0.00 -0.12 0.00 0.00 57.88 57.54 1fjc h LEU 70 Cb 0.72 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.61 1fjc h LEU 70 CO 0.00 0.08 -1.76 -1.84 -0.62 0.00 0.00 178.44 174.31 1fjc n GLU 71 N -4.07 0.64 0.00 1.25 -0.00 0.48 -2.66 120.64 116.28 1fjc n GLU 71 Ca -0.03 0.14 0.11 0.00 -0.00 0.00 0.00 57.16 57.38 1fjc n GLU 71 Cb 0.17 -1.71 -0.03 0.00 -0.00 0.00 0.00 31.44 29.87 1fjc n GLU 71 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1fjc n GLU 72 N -2.82 0.77 -0.01 3.44 4.07 0.14 -4.38 120.64 121.85 1fjc n GLU 72 Ca -0.16 -0.64 0.00 0.00 -0.06 0.00 0.00 57.16 56.31 1fjc n GLU 72 Cb 0.92 -1.49 -0.05 0.00 -0.06 0.00 0.00 31.44 30.77 1fjc n GLU 72 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1fjc n LYS 73 N -0.56 1.46 -1.35 5.31 4.76 0.54 -4.87 118.16 123.47 1fjc n LYS 73 Ca 0.07 -0.03 -0.22 0.00 -2.87 0.00 0.00 58.31 55.26 1fjc n LYS 73 Cb 0.42 -1.15 -0.20 0.00 -1.84 0.00 0.00 35.03 32.26 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 -1.94 0.00 0.00 1.97 -0.06 -1.09 -0.75 117.38 115.51 1fjc n GLN 74 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.95 1fjc n GLN 74 Cb 0.40 -0.97 0.00 0.00 -4.06 0.00 0.00 30.24 25.61 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 5.08 2.36 2.75 1.69 0.00 0.63 -4.93 105.19 112.77 1fjc n GLY 75 Ca 0.61 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.52 -1.54 4.61 0.00 0.07 0.26 120.51 122.40 1fjc n ALA 76 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1fjc n ALA 76 Cb 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 19.45 18.92 1fjc n ALA 76 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1fjc n GLU 77 N 1.64 0.41 -4.37 0.00 4.71 -1.26 -3.83 120.64 117.94 1fjc n GLU 77 Ca 0.00 -0.82 -0.21 0.00 -0.01 0.00 0.00 57.16 56.11 1fjc n GLU 77 Cb 0.26 -3.30 -0.08 0.00 -1.01 0.00 0.00 31.44 27.31 1fjc n GLU 77 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1fjc s ILE 78 N 12.81 0.23 -0.30 -3.67 1.01 0.38 -4.80 121.20 126.87 1fjc s ILE 78 Ca 0.95 -2.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.58 1fjc s ILE 78 Cb -0.22 -2.44 0.01 0.00 0.01 0.00 0.00 42.46 39.83 1fjc s ILE 78 CO 0.16 0.00 0.04 -0.67 0.00 0.00 0.00 174.94 174.47 1fjc n ASP 79 N -1.37 -1.57 -2.53 3.58 -0.08 -1.26 0.26 116.55 113.58 1fjc n ASP 79 Ca 0.02 0.34 -0.19 0.00 -1.51 0.00 0.00 54.79 53.45 1fjc n ASP 79 Cb 0.64 -1.45 0.02 0.00 2.34 0.00 0.00 41.12 42.67 1fjc n ASP 79 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1fjc n GLY 80 N -0.59 -0.38 3.61 0.27 0.00 -1.26 -4.94 105.19 101.89 1fjc n GLY 80 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 -5.39 0.21 -0.12 1.61 1.70 0.73 -5.14 118.95 112.55 1fjc s ARG 81 Ca 0.20 -0.10 -0.15 0.00 -0.47 0.00 0.00 55.73 55.21 1fjc s ARG 81 Cb -0.09 0.09 -0.05 0.00 -0.57 0.00 0.00 34.95 34.33 1fjc s ARG 81 CO 0.24 -0.10 0.36 -1.54 -1.08 0.00 0.00 175.30 173.19 1fjc s SER 82 N -2.47 6.57 0.27 -2.89 1.04 -1.26 -0.47 113.70 114.50 1fjc s SER 82 Ca 0.12 0.67 -0.05 0.00 0.48 0.00 0.00 55.95 57.17 1fjc s SER 82 Cb 0.02 -2.22 -0.05 0.00 0.10 0.00 0.00 66.02 63.86 1fjc s SER 82 CO -0.04 0.11 0.54 0.54 0.98 0.00 0.00 173.24 175.37 1fjc s VAL 83 N 0.24 5.02 0.10 5.02 0.11 0.74 -4.81 120.40 126.83 1fjc s VAL 83 Ca 0.21 0.11 0.05 0.00 -2.93 0.00 0.00 61.98 59.42 1fjc s VAL 83 Cb -0.14 -3.71 -0.04 0.00 -1.53 0.00 0.00 36.38 30.96 1fjc s VAL 83 CO 0.07 -0.27 -0.02 -0.44 -3.33 0.00 0.00 175.10 171.12 1fjc s SER 84 N -3.01 4.90 -0.12 3.54 0.01 0.50 0.23 113.70 119.75 1fjc s SER 84 Ca 0.44 -0.23 -0.01 0.00 1.31 0.00 0.00 55.95 57.46 1fjc s SER 84 Cb -0.11 -1.12 -0.02 0.00 0.21 0.00 0.00 66.02 64.98 1fjc s SER 84 CO 0.28 0.16 -0.08 -0.76 0.41 0.00 0.00 173.24 173.26 1fjc s LEU 85 N -2.37 3.06 -0.44 2.44 1.43 -1.26 0.26 118.68 121.80 1fjc s LEU 85 Ca 0.25 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1fjc s LEU 85 Cb -0.11 -1.70 0.12 0.00 0.03 0.00 0.00 46.19 44.52 1fjc s LEU 85 CO 0.18 0.24 0.17 -0.31 0.23 0.00 0.00 176.35 176.86 1fjc s TYR 86 N -0.06 3.49 0.04 0.29 1.51 0.75 -4.90 117.35 118.47 1fjc s TYR 86 Ca -0.00 -3.03 -0.01 0.00 -1.01 0.00 0.00 57.07 53.03 1fjc s TYR 86 Cb -0.13 -2.92 0.01 0.00 -0.11 0.00 0.00 41.96 38.81 1fjc s TYR 86 CO 0.03 -0.86 0.02 0.98 -1.11 0.00 0.00 175.55 174.61 1fjc n TYR 87 N 3.74 -1.29 0.00 2.71 4.19 -1.26 0.27 117.16 125.51 1fjc n TYR 87 Ca 0.04 -0.01 0.00 0.00 3.31 0.00 0.00 57.90 61.24 1fjc n TYR 87 Cb 0.37 -0.05 0.00 0.00 0.49 0.00 0.00 39.34 40.16 1fjc n TYR 87 CO 0.00 0.00 0.00 -2.37 0.91 0.00 0.00 176.86 175.40 1fjc n THR 88 N -2.70 0.00 -0.75 2.97 5.66 -1.21 -4.25 114.28 113.99 1fjc n THR 88 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1fjc n THR 88 Cb 0.01 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 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 0.00 -0.71 0.00 1.09 0.00 -0.90 -4.54 105.19 100.13 1fjc n GLY 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.07 0.00 -0.12 1.61 0.28 -1.26 -4.30 120.64 116.78 1fjc n GLU 90 Ca 0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.76 1fjc n GLU 90 Cb 0.33 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.11 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 0.50 -0.23 3.44 3.00 -1.26 -5.08 118.16 118.53 1fjc n LYS 91 Ca 0.00 0.20 0.03 0.00 -0.00 0.00 0.00 58.31 58.55 1fjc n LYS 91 Cb 0.00 -1.35 -0.01 0.00 0.00 0.00 0.00 35.03 33.67 1fjc n LYS 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fjc n GLY 92 N 1.67 -0.50 7.00 3.14 0.00 -1.26 -4.87 105.19 110.38 1fjc n GLY 92 Ca -0.45 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.82 0.41 1.00 -0.02 0.00 -1.26 -4.63 105.19 99.87 1fjc n GLY 93 Ca 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 0.00 -1.37 2.61 5.66 -1.26 -5.14 114.28 114.78 1fjc n THR 94 Ca 0.00 -0.34 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 1fjc n THR 94 Cb 0.00 0.59 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 1fjc n THR 94 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1fjc n ARG 95 N 0.17 0.00 0.00 1.09 5.12 -1.26 -5.31 116.66 116.47 1fjc n ARG 95 Ca -0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 1fjc n ARG 95 Cb 0.82 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.12 1fjc n ARG 95 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11