#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 0.00 -2.35 7.33 -0.00 -1.26 -4.68 115.22 114.26 1fjc n HIS 2 Ca 0.00 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.12 1fjc n HIS 2 Cb 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1fjc n HIS 2 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 1fjc n MET 3 N 0.00 -2.49 -2.99 1.57 0.00 -1.26 -3.30 117.12 108.66 1fjc n MET 3 Ca 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 57.70 57.98 1fjc n MET 3 Cb 0.00 -4.80 -0.01 0.00 0.00 0.00 0.00 33.22 28.41 1fjc n MET 3 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1fjc n LEU 4 N -2.53 -5.04 -3.93 4.03 4.32 -1.26 -5.02 117.00 107.57 1fjc n LEU 4 Ca -0.07 1.05 -0.10 0.00 -0.02 0.00 0.00 56.01 56.88 1fjc n LEU 4 Cb 0.52 -2.10 -0.02 0.00 -1.62 0.00 0.00 43.42 40.20 1fjc n LEU 4 CO 0.08 -2.59 0.34 -1.83 -1.22 0.00 0.00 177.39 172.17 1fjc s GLU 5 N -0.70 1.89 0.00 3.23 4.04 -1.21 -5.14 118.70 120.81 1fjc s GLU 5 Ca -0.05 -1.36 0.00 0.00 0.04 0.00 0.00 54.97 53.60 1fjc s GLU 5 Cb 0.00 0.54 0.00 0.00 0.02 0.00 0.00 34.13 34.70 1fjc s GLU 5 CO 0.25 -0.84 0.00 -3.47 -1.84 0.00 0.00 175.26 169.36 1fjc n ASP 6 N -0.94 0.00 -1.00 0.83 -0.08 -1.26 -5.01 116.55 109.09 1fjc n ASP 6 Ca -0.04 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.23 1fjc n ASP 6 Cb 0.61 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.11 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 1.36 0.00 -0.67 -0.04 -1.26 -4.00 135.00 130.39 1fjc n PRO 7 Ca 0.00 -0.48 0.15 0.00 -0.04 0.00 0.00 63.50 63.13 1fjc n PRO 7 Cb 0.00 -1.36 0.68 0.00 -0.04 0.00 0.00 33.50 32.78 1fjc n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fjc h THR 9 N 1.37 0.33 -6.34 0.00 1.03 -2.04 -3.45 112.91 103.81 1fjc h THR 9 Ca 0.00 -0.09 -0.46 0.00 -0.01 0.00 0.00 66.41 65.84 1fjc h THR 9 Cb 0.31 0.03 0.04 0.00 -1.07 0.00 0.00 68.15 67.46 1fjc h THR 9 CO 0.00 0.05 -0.93 -0.24 -0.01 0.00 0.00 175.52 174.39 1fjc n SER 10 N -5.14 -3.67 -0.07 0.00 2.88 -1.26 -4.92 113.62 101.43 1fjc n SER 10 Ca 0.25 -1.03 -0.06 0.00 -1.33 0.00 0.00 58.87 56.71 1fjc n SER 10 Cb 0.79 -3.21 -0.02 0.00 -0.75 0.00 0.00 64.21 61.02 1fjc n SER 10 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1fjc n LYS 11 N -4.31 0.47 -0.05 -1.46 4.81 -1.26 -3.97 118.16 112.39 1fjc n LYS 11 Ca -0.16 0.47 0.03 0.00 -0.87 0.00 0.00 58.31 57.77 1fjc n LYS 11 Cb 0.62 -1.64 0.10 0.00 0.02 0.00 0.00 35.03 34.13 1fjc n LYS 11 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1fjc n LYS 12 N -4.58 1.26 -0.03 1.64 -0.00 -1.26 -3.21 118.16 111.97 1fjc n LYS 12 Ca -0.09 -0.40 0.04 0.00 -0.00 0.00 0.00 58.31 57.86 1fjc n LYS 12 Cb 0.32 -1.12 -0.15 0.00 -0.00 0.00 0.00 35.03 34.08 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 -0.20 0.53 0.10 0.58 0.31 -1.26 -3.98 118.33 114.41 1fjc n VAL 13 Ca 0.05 -0.62 -0.16 0.00 -0.01 0.00 0.00 64.34 63.60 1fjc n VAL 13 Cb 0.10 -0.21 -0.14 0.00 -0.91 0.00 0.00 33.84 32.68 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 0.27 0.00 5.55 1.12 -1.67 -3.27 114.38 116.38 1fjc h ARG 14 Ca -0.17 -0.47 -0.07 0.00 -1.11 0.00 0.00 59.98 58.16 1fjc h ARG 14 Cb 1.41 0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 31.54 1fjc h ARG 14 CO 0.01 1.21 -0.35 0.00 -3.11 0.00 0.00 179.97 177.74 1fjc h ALA 15 N 0.56 1.04 -0.27 2.80 0.00 -1.75 -3.09 119.26 118.55 1fjc h ALA 15 Ca -0.15 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1fjc h ALA 15 Cb 1.98 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 1fjc h ALA 15 CO 0.20 0.43 0.01 0.00 0.00 0.00 0.00 179.25 179.90 1fjc h ALA 16 N 1.65 0.36 -0.35 0.00 0.00 -1.69 -2.48 119.26 116.76 1fjc h ALA 16 Ca -0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1fjc h ALA 16 Cb 0.83 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 1fjc h ALA 16 CO 0.04 0.09 0.13 2.89 0.00 0.00 0.00 179.25 182.40 1fjc n ARG 17 N -4.62 2.28 -4.03 0.00 1.85 -1.20 -4.30 116.66 106.64 1fjc n ARG 17 Ca -0.03 -1.43 -0.10 0.00 -1.00 0.00 0.00 57.85 55.30 1fjc n ARG 17 Cb 0.24 -1.72 -0.11 0.00 -1.05 0.00 0.00 32.46 29.82 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 -1.69 0.25 0.10 8.89 2.01 -0.94 0.66 115.64 124.92 1fjc s THR 18 Ca 0.26 -1.15 -0.10 0.00 0.31 0.00 0.00 61.69 61.01 1fjc s THR 18 Cb 0.21 -0.62 0.00 0.00 0.01 0.00 0.00 72.50 72.10 1fjc s THR 18 CO 0.06 -0.58 0.22 -1.48 -0.69 0.00 0.00 174.62 172.16 1fjc s LEU 19 N -1.81 1.25 -0.24 4.42 0.05 0.58 -3.01 118.68 119.92 1fjc s LEU 19 Ca -0.09 -0.64 -0.09 0.00 0.05 0.00 0.00 54.13 53.37 1fjc s LEU 19 Cb -0.06 1.15 -0.04 0.00 -2.05 0.00 0.00 46.19 45.19 1fjc s LEU 19 CO -0.02 -0.76 0.11 -0.22 -0.55 0.00 0.00 176.35 174.90 1fjc s LEU 20 N -2.87 3.76 0.03 1.48 1.98 0.76 0.64 118.68 124.46 1fjc s LEU 20 Ca 0.06 -0.04 -0.23 0.00 -2.89 0.00 0.00 54.13 51.03 1fjc s LEU 20 Cb 0.04 -2.00 -0.06 0.00 0.66 0.00 0.00 46.19 44.83 1fjc s LEU 20 CO -0.10 0.03 0.69 0.00 -1.89 0.00 0.00 176.35 175.08 1fjc s ALA 21 N 1.24 3.43 0.36 5.97 0.00 0.70 0.23 121.76 133.68 1fjc s ALA 21 Ca 0.06 0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.24 1fjc s ALA 21 Cb -0.14 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 1fjc s ALA 21 CO 0.05 0.13 0.18 1.17 0.00 0.00 0.00 175.76 177.28 1fjc n LYS 22 N 2.68 0.53 -3.23 0.00 4.81 0.51 0.32 118.16 123.79 1fjc n LYS 22 Ca -0.05 -3.18 -0.23 0.00 -0.87 0.00 0.00 58.31 53.99 1fjc n LYS 22 Cb 0.50 2.00 0.02 0.00 0.02 0.00 0.00 35.03 37.57 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 -1.63 -4.90 -1.64 3.14 5.15 -1.03 0.29 115.26 114.64 1fjc n ASN 23 Ca -0.01 -0.36 0.00 0.00 -0.60 0.00 0.00 54.58 53.61 1fjc n ASN 23 Cb 0.57 -3.99 0.00 0.00 -0.53 0.00 0.00 39.78 35.83 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 -3.93 0.00 0.00 1.20 4.77 0.02 -4.25 117.00 114.82 1fjc n LEU 24 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1fjc n LEU 24 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1fjc n LEU 24 CO 0.51 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 175.03 1fjc n SER 25 N 0.00 0.32 -0.18 -1.43 3.41 -1.26 -4.59 113.62 109.88 1fjc n SER 25 Ca 0.00 -0.54 0.09 0.00 -0.26 0.00 0.00 58.87 58.15 1fjc n SER 25 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1fjc n SER 25 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1fjc n PHE 26 N -0.46 0.00 -0.00 7.33 3.01 -1.26 -3.65 117.46 122.44 1fjc n PHE 26 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1fjc n PHE 26 Cb 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.47 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 -0.83 4.96 -4.59 4.37 5.15 -1.26 -4.92 115.26 118.14 1fjc n ASN 27 Ca 0.05 0.00 -0.46 0.00 -0.60 0.00 0.00 54.58 53.57 1fjc n ASN 27 Cb 0.32 0.83 -0.03 0.00 -0.53 0.00 0.00 39.78 40.37 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 -1.69 1.45 -4.26 -1.44 3.06 -1.26 -4.98 119.36 110.24 1fjc n ILE 28 Ca -0.00 -0.36 -0.12 0.00 -2.50 0.00 0.00 62.75 59.76 1fjc n ILE 28 Cb 0.19 -0.98 -0.03 0.00 0.54 0.00 0.00 39.64 39.36 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 0.90 0.00 0.33 9.51 -2.24 -1.26 -4.91 114.28 116.61 1fjc n THR 29 Ca 0.12 -1.02 0.17 0.00 -2.27 0.00 0.00 64.05 61.06 1fjc n THR 29 Cb 0.29 0.29 0.91 0.00 -2.10 0.00 0.00 70.33 69.72 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 0.00 0.33 -0.78 4.81 -1.90 0.14 114.58 117.18 1fjc h GLU 30 Ca -0.16 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1fjc h GLU 30 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1fjc h GLU 30 CO 0.25 0.00 -0.16 -0.44 -0.73 0.00 0.00 179.01 177.93 1fjc h ASP 31 N 0.00 -0.38 -0.33 1.04 3.32 -1.93 2.39 116.42 120.54 1fjc h ASP 31 Ca 0.01 -0.07 -0.14 0.00 0.02 0.00 0.00 57.03 56.85 1fjc h ASP 31 Cb 0.52 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1fjc h ASP 31 CO -0.00 -0.16 -0.30 -0.33 -1.72 0.00 0.00 179.24 176.73 1fjc h GLU 32 N -0.58 0.85 0.00 3.56 4.39 -1.40 0.34 114.58 121.73 1fjc h GLU 32 Ca -0.05 -0.39 -0.05 0.00 0.34 0.00 0.00 59.36 59.21 1fjc h GLU 32 Cb 0.42 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1fjc h GLU 32 CO 0.07 1.03 -0.22 -0.07 -1.16 0.00 0.00 179.01 178.66 1fjc h LEU 33 N 0.72 0.00 0.00 1.33 3.38 -0.97 0.11 115.31 119.87 1fjc h LEU 33 Ca 0.08 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 1fjc h LEU 33 Cb 0.85 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1fjc h LEU 33 CO 0.08 0.22 -0.98 0.50 0.09 0.00 0.00 178.44 178.35 1fjc h LYS 34 N 0.00 0.00 -0.00 1.13 3.64 0.50 0.16 116.57 121.99 1fjc h LYS 34 Ca -0.00 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 1fjc h LYS 34 Cb 0.52 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1fjc h LYS 34 CO 0.03 0.79 -0.81 1.49 -2.27 0.00 0.00 179.45 178.68 1fjc h GLU 35 N 0.00 0.11 0.09 1.90 4.81 0.78 -2.40 114.58 119.87 1fjc h GLU 35 Ca -0.05 -0.11 -0.28 0.00 -0.13 0.00 0.00 59.36 58.79 1fjc h GLU 35 Cb 1.69 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.09 1fjc h GLU 35 CO 0.10 0.86 -1.50 0.28 -0.73 0.00 0.00 179.01 178.02 1fjc h VAL 36 N 0.06 0.92 -0.85 0.32 2.07 -0.84 -3.35 116.25 114.58 1fjc h VAL 36 Ca -0.02 -2.34 -0.51 0.00 0.82 0.00 0.00 66.70 64.64 1fjc h VAL 36 Cb 1.41 2.58 -0.21 0.00 -1.52 0.00 0.00 31.29 33.55 1fjc h VAL 36 CO 0.12 0.67 0.64 0.49 0.02 0.00 0.00 177.57 179.51 1fjc n PHE 37 N -3.93 2.30 0.09 1.57 3.72 0.55 -4.59 117.46 117.17 1fjc n PHE 37 Ca -0.28 -2.40 0.06 0.00 -0.05 0.00 0.00 57.45 54.78 1fjc n PHE 37 Cb 0.89 -1.21 0.33 0.00 -0.94 0.00 0.00 39.48 38.54 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 -0.14 0.08 0.00 -1.08 2.13 -0.90 -0.59 120.64 120.13 1fjc n GLU 38 Ca 0.46 0.58 0.13 0.00 0.66 0.00 0.00 57.16 58.99 1fjc n GLU 38 Cb 0.58 -1.76 0.32 0.00 0.27 0.00 0.00 31.44 30.86 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 -1.92 1.24 -0.83 4.31 -0.08 -1.26 -4.91 116.55 113.10 1fjc n ASP 39 Ca -0.01 -1.04 0.00 0.00 -1.51 0.00 0.00 54.79 52.23 1fjc n ASP 39 Cb 0.02 0.18 0.00 0.00 2.34 0.00 0.00 41.12 43.66 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 -0.47 0.00 -0.11 -1.67 0.00 0.24 -4.27 120.51 114.24 1fjc n ALA 40 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.36 1fjc n ALA 40 Cb 0.37 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.70 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 2.73 -3.60 0.00 4.77 0.59 -4.62 117.00 116.87 1fjc n LEU 41 Ca 0.00 0.01 0.01 0.00 -0.03 0.00 0.00 56.01 56.00 1fjc n LEU 41 Cb 0.00 -0.94 -0.01 0.00 -2.33 0.00 0.00 43.42 40.15 1fjc n LEU 41 CO 0.00 0.85 1.11 -1.83 -1.33 0.00 0.00 177.39 176.19 1fjc s GLU 42 N -2.52 0.24 0.07 3.23 -1.05 -0.94 -5.02 118.70 112.71 1fjc s GLU 42 Ca -0.33 -0.12 0.04 0.00 -0.15 0.00 0.00 54.97 54.40 1fjc s GLU 42 Cb 0.09 0.09 -0.03 0.00 -0.44 0.00 0.00 34.13 33.84 1fjc s GLU 42 CO 0.61 -0.11 -0.11 0.42 0.95 0.00 0.00 175.26 177.03 1fjc s ILE 43 N -2.27 0.87 0.33 1.83 1.09 -1.26 -0.84 121.20 120.96 1fjc s ILE 43 Ca 0.13 -1.35 0.09 0.00 -1.10 0.00 0.00 60.65 58.42 1fjc s ILE 43 Cb 0.04 -1.03 -0.05 0.00 -1.06 0.00 0.00 42.46 40.36 1fjc s ILE 43 CO -0.05 -0.39 0.02 -0.13 -0.10 0.00 0.00 174.94 174.29 1fjc s ARG 44 N -2.06 2.12 0.25 2.79 0.52 0.73 -4.67 118.95 118.63 1fjc s ARG 44 Ca -0.02 -1.69 0.07 0.00 -0.52 0.00 0.00 55.73 53.57 1fjc s ARG 44 Cb -0.07 -1.97 -0.04 0.00 0.52 0.00 0.00 34.95 33.38 1fjc s ARG 44 CO 0.01 0.16 0.19 -1.17 0.02 0.00 0.00 175.30 174.51 1fjc s LEU 45 N -3.72 3.80 -0.22 2.53 0.20 -1.26 0.10 118.68 120.10 1fjc s LEU 45 Ca 0.35 -0.26 -0.15 0.00 0.69 0.00 0.00 54.13 54.75 1fjc s LEU 45 Cb -0.01 -2.33 0.06 0.00 -0.43 0.00 0.00 46.19 43.48 1fjc s LEU 45 CO 0.20 -0.04 0.55 -0.69 -0.29 0.00 0.00 176.35 176.08 1fjc s VAL 46 N -2.14 -0.01 0.00 1.68 1.01 0.78 -4.61 120.40 117.12 1fjc s VAL 46 Ca 0.33 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1fjc s VAL 46 Cb -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.51 1fjc s VAL 46 CO 0.25 0.01 0.00 -1.20 0.00 0.00 0.00 175.10 174.16 1fjc n SER 47 N 3.68 0.00 -2.38 3.32 7.64 -1.26 -0.15 113.62 124.47 1fjc n SER 47 Ca -0.18 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.37 1fjc n SER 47 Cb 0.57 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.82 1fjc n SER 47 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1fjc n GLN 48 N 0.00 2.97 -0.90 1.43 7.27 0.11 -4.58 117.38 123.67 1fjc n GLN 48 Ca 0.00 -3.63 0.00 0.00 0.07 0.00 0.00 57.00 53.44 1fjc n GLN 48 Cb 0.00 -2.28 0.00 0.00 2.41 0.00 0.00 30.24 30.37 1fjc n GLN 48 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1fjc n ASP 49 N -0.77 -3.46 0.00 1.69 2.03 -1.26 -4.34 116.55 110.44 1fjc n ASP 49 Ca 0.55 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.86 1fjc n ASP 49 Cb 0.65 -2.18 0.00 0.00 -0.72 0.00 0.00 41.12 38.87 1fjc n ASP 49 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1fjc n GLY 50 N -0.90 0.00 0.00 0.27 0.00 -1.26 -5.14 105.19 98.16 1fjc n GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fjc n GLY 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1fjc n LYS 51 N 0.00 0.00 -1.52 1.61 4.81 -1.26 -5.12 118.16 116.68 1fjc n LYS 51 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 58.31 56.84 1fjc n LYS 51 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 1fjc n LYS 51 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1fjc n SER 52 N 0.00 0.09 0.00 3.14 2.88 -1.26 0.03 113.62 118.50 1fjc n SER 52 Ca 0.00 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1fjc n SER 52 Cb 0.00 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 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 1.69 2.60 -1.60 -1.46 4.81 -1.26 -4.62 118.16 118.33 1fjc n LYS 53 Ca 0.21 -0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1fjc n LYS 53 Cb 0.07 -0.63 0.00 0.00 0.02 0.00 0.00 35.03 34.49 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 0.42 0.51 3.70 3.14 0.00 -1.24 -4.59 105.19 107.13 1fjc n GLY 54 Ca 0.00 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 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 4.02 -0.27 -0.61 -1.09 0.79 -0.80 121.20 121.25 1fjc s ILE 55 Ca 0.00 -1.12 -0.23 0.00 -2.23 0.00 0.00 60.65 57.07 1fjc s ILE 55 Cb 0.00 -2.97 0.07 0.00 -1.58 0.00 0.00 42.46 37.98 1fjc s ILE 55 CO 0.00 0.02 0.71 0.00 -1.23 0.00 0.00 174.94 174.44 1fjc s ALA 56 N -1.50 -1.77 0.16 9.38 0.00 0.15 0.27 121.76 128.47 1fjc s ALA 56 Ca 0.27 2.05 -0.19 0.00 0.00 0.00 0.00 51.96 54.10 1fjc s ALA 56 Cb -0.11 -1.20 -0.08 0.00 0.00 0.00 0.00 23.12 21.74 1fjc s ALA 56 CO 0.19 -0.34 0.65 0.71 0.00 0.00 0.00 175.76 176.97 1fjc s TYR 57 N 0.54 3.69 -0.03 0.00 2.02 0.28 0.25 117.35 124.11 1fjc s TYR 57 Ca -0.01 1.29 0.04 0.00 -0.37 0.00 0.00 57.07 58.02 1fjc s TYR 57 Cb -0.05 -2.54 -0.00 0.00 -0.40 0.00 0.00 41.96 38.97 1fjc s TYR 57 CO -0.02 0.43 -0.15 0.42 -1.57 0.00 0.00 175.55 174.67 1fjc s ILE 58 N -1.39 1.21 -0.14 2.71 -1.09 0.21 0.26 121.20 122.97 1fjc s ILE 58 Ca 0.38 -0.61 -0.00 0.00 -2.23 0.00 0.00 60.65 58.19 1fjc s ILE 58 Cb -0.17 -1.04 0.03 0.00 -1.58 0.00 0.00 42.46 39.70 1fjc s ILE 58 CO 0.20 0.35 -0.08 -1.61 -1.23 0.00 0.00 174.94 172.58 1fjc s GLU 59 N -0.02 1.63 0.48 2.79 2.02 -0.02 -0.30 118.70 125.28 1fjc s GLU 59 Ca -0.01 -0.40 0.08 0.00 0.02 0.00 0.00 54.97 54.67 1fjc s GLU 59 Cb -0.09 -1.82 0.03 0.00 0.10 0.00 0.00 34.13 32.35 1fjc s GLU 59 CO 0.01 -0.32 0.60 -0.06 0.02 0.00 0.00 175.26 175.52 1fjc s PHE 60 N 1.64 2.25 0.31 1.61 0.40 0.21 0.22 117.98 124.62 1fjc s PHE 60 Ca 0.04 -0.55 0.25 0.00 -0.60 0.00 0.00 56.93 56.07 1fjc s PHE 60 Cb -0.13 -2.26 1.21 0.00 0.51 0.00 0.00 43.02 42.35 1fjc s PHE 60 CO -0.08 -0.62 1.97 -0.22 0.70 0.00 0.00 175.22 176.96 1fjc h LYS 61 N 0.56 0.00 -2.59 0.44 1.63 -1.82 -3.41 116.57 111.38 1fjc h LYS 61 Ca -0.37 0.00 0.10 0.00 -0.85 0.00 0.00 60.65 59.53 1fjc h LYS 61 Cb 1.28 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 32.81 1fjc h LYS 61 CO 0.46 0.18 0.38 -1.12 -3.45 0.00 0.00 179.45 175.90 1fjc s SER 62 N -6.21 -0.32 0.30 4.20 0.01 -1.26 -4.99 113.70 105.43 1fjc s SER 62 Ca -0.02 -0.27 0.03 0.00 1.31 0.00 0.00 55.95 57.01 1fjc s SER 62 Cb 0.12 0.53 0.61 0.00 0.21 0.00 0.00 66.02 67.49 1fjc s SER 62 CO 0.61 -0.93 1.85 -0.33 0.41 0.00 0.00 173.24 174.84 1fjc h GLU 63 N 2.00 0.91 -0.67 12.44 5.08 -1.86 0.50 114.58 132.98 1fjc h GLU 63 Ca -0.24 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 1fjc h GLU 63 Cb 1.25 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1fjc h GLU 63 CO 0.29 0.60 0.31 0.00 -1.00 0.00 0.00 179.01 179.21 1fjc h ALA 64 N 1.55 1.29 0.19 3.43 0.00 -1.95 1.26 119.26 125.03 1fjc h ALA 64 Ca 0.48 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1fjc h ALA 64 Cb 0.53 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1fjc h ALA 64 CO -0.25 0.54 -0.09 -0.44 0.00 0.00 0.00 179.25 179.01 1fjc h ASP 65 N 0.95 -0.21 -0.14 0.00 3.32 -1.34 0.71 116.42 119.71 1fjc h ASP 65 Ca 0.23 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 1fjc h ASP 65 Cb 0.11 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1fjc h ASP 65 CO -0.03 0.26 -0.02 0.00 -1.72 0.00 0.00 179.24 177.72 1fjc h ALA 66 N -0.11 1.48 0.02 3.45 0.00 -0.93 -0.42 119.26 122.76 1fjc h ALA 66 Ca -0.03 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1fjc h ALA 66 Cb 0.51 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1fjc h ALA 66 CO 0.04 0.37 -0.23 1.49 0.00 0.00 0.00 179.25 180.93 1fjc h GLU 67 N 0.38 0.12 -0.65 0.00 4.81 0.17 0.10 114.58 119.51 1fjc h GLU 67 Ca 0.08 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1fjc h GLU 67 Cb 0.29 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 1fjc h GLU 67 CO 0.01 0.98 0.41 -0.22 -0.73 0.00 0.00 179.01 179.45 1fjc h LYS 68 N -0.67 0.78 -0.09 1.92 1.63 0.56 -0.14 116.57 120.56 1fjc h LYS 68 Ca -0.03 -0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 59.64 1fjc h LYS 68 Cb 1.07 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 1fjc h LYS 68 CO 0.04 0.52 -0.26 -0.91 -3.45 0.00 0.00 179.45 175.40 1fjc h ASN 69 N 0.81 0.38 -1.00 4.20 2.35 -1.16 0.87 115.58 122.03 1fjc h ASN 69 Ca 0.25 -0.60 0.16 0.00 -0.55 0.00 0.00 56.30 55.56 1fjc h ASN 69 Cb -0.01 -0.11 -0.09 0.00 0.05 0.00 0.00 38.32 38.15 1fjc h ASN 69 CO -0.09 0.91 0.62 0.25 -1.65 0.00 0.00 177.43 177.47 1fjc h LEU 70 N -0.13 0.83 0.06 1.61 5.85 -0.45 0.12 115.31 123.20 1fjc h LEU 70 Ca -0.01 0.07 -0.30 0.00 0.84 0.00 0.00 57.88 58.49 1fjc h LEU 70 Cb 0.87 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 1fjc h LEU 70 CO 0.06 0.37 -1.61 -0.62 -0.34 0.00 0.00 178.44 176.30 1fjc n GLU 71 N -4.68 0.66 0.28 1.25 -0.58 -0.09 -1.97 120.64 115.51 1fjc n GLU 71 Ca 0.21 0.43 0.18 0.00 -0.42 0.00 0.00 57.16 57.56 1fjc n GLU 71 Cb 0.48 -1.73 0.95 0.00 -0.57 0.00 0.00 31.44 30.57 1fjc n GLU 71 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1fjc h GLU 72 N -0.50 0.00 0.00 3.49 4.57 0.10 -3.34 114.58 118.89 1fjc h GLU 72 Ca -0.39 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 1fjc h GLU 72 Cb 1.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.24 1fjc h GLU 72 CO -0.07 0.00 -0.12 1.63 -1.18 0.00 0.00 179.01 179.27 1fjc n LYS 73 N -3.59 0.06 -2.67 1.92 5.02 0.41 -5.02 118.16 114.29 1fjc n LYS 73 Ca -0.01 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1fjc n LYS 73 Cb 0.18 -0.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.79 1fjc n LYS 73 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1fjc n GLN 74 N -3.01 -0.47 0.00 1.97 -0.06 -0.83 -3.60 117.38 111.38 1fjc n GLN 74 Ca -0.02 0.75 0.00 0.00 -2.00 0.00 0.00 57.00 55.73 1fjc n GLN 74 Cb 0.06 -0.76 0.00 0.00 -4.06 0.00 0.00 30.24 25.48 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 1.50 2.08 2.11 1.69 0.00 0.29 -4.82 105.19 108.03 1fjc n GLY 75 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.96 -1.54 4.61 0.00 -1.24 0.28 120.51 120.67 1fjc n ALA 76 Ca 0.00 0.48 -0.13 0.00 0.00 0.00 0.00 53.44 53.79 1fjc n ALA 76 Cb 0.00 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 17.89 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 1.91 0.26 -4.23 0.00 2.13 -1.26 -3.94 120.64 115.50 1fjc n GLU 77 Ca 0.00 -1.23 -0.14 0.00 0.66 0.00 0.00 57.16 56.45 1fjc n GLU 77 Cb 0.00 -3.59 -0.10 0.00 0.27 0.00 0.00 31.44 28.02 1fjc n GLU 77 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1fjc s ILE 78 N 14.97 0.10 -0.92 6.31 1.01 0.08 -4.83 121.20 137.93 1fjc s ILE 78 Ca 0.84 -2.00 -0.11 0.00 0.00 0.00 0.00 60.65 59.38 1fjc s ILE 78 Cb -0.11 -2.52 0.11 0.00 0.01 0.00 0.00 42.46 39.95 1fjc s ILE 78 CO 0.15 0.00 0.29 -0.67 0.00 0.00 0.00 174.94 174.72 1fjc n ASP 79 N -0.43 -1.58 -2.48 3.58 2.03 -1.26 0.26 116.55 116.68 1fjc n ASP 79 Ca 0.02 -0.32 -0.20 0.00 0.52 0.00 0.00 54.79 54.81 1fjc n ASP 79 Cb 0.66 -1.43 -0.00 0.00 -0.72 0.00 0.00 41.12 39.62 1fjc n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1fjc n GLY 80 N -0.79 -0.50 3.98 0.27 0.00 -1.26 -4.87 105.19 102.01 1fjc n GLY 80 Ca 0.05 0.01 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 -5.13 0.31 -0.20 1.61 1.70 0.74 -5.14 118.95 112.84 1fjc s ARG 81 Ca 0.04 -0.20 -0.11 0.00 -0.47 0.00 0.00 55.73 54.99 1fjc s ARG 81 Cb -0.02 0.09 -0.05 0.00 -0.57 0.00 0.00 34.95 34.40 1fjc s ARG 81 CO 0.04 -0.14 0.18 -1.12 -1.08 0.00 0.00 175.30 173.18 1fjc s SER 82 N -3.80 6.25 0.25 -2.89 0.01 -1.26 -0.74 113.70 111.52 1fjc s SER 82 Ca 0.29 0.27 -0.30 0.00 1.31 0.00 0.00 55.95 57.53 1fjc s SER 82 Cb -0.00 -2.12 -0.09 0.00 0.21 0.00 0.00 66.02 64.02 1fjc s SER 82 CO -0.01 0.13 1.10 0.54 0.41 0.00 0.00 173.24 175.41 1fjc s VAL 83 N 0.55 3.58 -0.03 3.43 0.11 0.82 -4.66 120.40 124.20 1fjc s VAL 83 Ca 0.10 1.53 -0.22 0.00 -2.93 0.00 0.00 61.98 60.45 1fjc s VAL 83 Cb -0.12 -3.97 -0.05 0.00 -1.53 0.00 0.00 36.38 30.71 1fjc s VAL 83 CO 0.01 0.34 0.65 -0.44 -3.33 0.00 0.00 175.10 172.33 1fjc s SER 84 N -0.67 6.99 -0.28 3.54 0.01 0.15 0.11 113.70 123.55 1fjc s SER 84 Ca 0.46 1.19 -0.10 0.00 1.31 0.00 0.00 55.95 58.80 1fjc s SER 84 Cb -0.31 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.48 1fjc s SER 84 CO 0.39 -0.00 0.16 -0.76 0.41 0.00 0.00 173.24 173.44 1fjc s LEU 85 N 0.28 3.90 -0.55 2.44 1.43 -1.26 0.19 118.68 125.11 1fjc s LEU 85 Ca 0.34 -0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.34 1fjc s LEU 85 Cb -0.18 -2.07 0.14 0.00 0.03 0.00 0.00 46.19 44.11 1fjc s LEU 85 CO 0.18 -0.05 0.36 -0.31 0.23 0.00 0.00 176.35 176.75 1fjc s TYR 86 N 1.72 3.46 0.00 0.29 2.02 0.62 -4.88 117.35 120.58 1fjc s TYR 86 Ca 0.07 -2.62 0.00 0.00 -0.37 0.00 0.00 57.07 54.15 1fjc s TYR 86 Cb -0.16 -3.20 0.00 0.00 -0.40 0.00 0.00 41.96 38.20 1fjc s TYR 86 CO 0.09 -0.88 0.00 0.98 -1.57 0.00 0.00 175.55 174.17 1fjc n TYR 87 N 3.85 -1.26 -2.01 2.71 9.36 -1.26 0.27 117.16 128.81 1fjc n TYR 87 Ca 0.04 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.20 1fjc n TYR 87 Cb 0.39 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.04 1fjc n TYR 87 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1fjc n THR 88 N -2.57 0.00 0.25 2.97 -2.24 -1.16 -4.26 114.28 107.27 1fjc n THR 88 Ca 0.00 -0.05 0.03 0.00 -2.27 0.00 0.00 64.05 61.76 1fjc n THR 88 Cb 0.00 0.50 0.03 0.00 -2.10 0.00 0.00 70.33 68.76 1fjc n THR 88 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fjc n GLY 89 N -0.08 -0.58 2.93 3.38 0.00 -1.17 -4.34 105.19 105.33 1fjc n GLY 89 Ca -0.26 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 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 0.35 -1.69 -0.07 1.61 0.00 -1.26 -4.84 120.64 114.74 1fjc n GLU 90 Ca 0.04 0.88 -0.07 0.00 0.00 0.00 0.00 57.16 58.01 1fjc n GLU 90 Cb 0.18 -5.12 -0.15 0.00 0.00 0.00 0.00 31.44 26.34 1fjc n GLU 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1fjc n LYS 91 N -2.63 0.67 0.00 5.31 0.00 -1.26 -5.05 118.16 115.21 1fjc n LYS 91 Ca -0.04 0.05 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1fjc n LYS 91 Cb 0.58 -1.59 0.00 0.00 0.00 0.00 0.00 35.03 34.01 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 1.64 0.84 0.00 3.14 0.00 -1.26 -5.02 105.19 104.53 1fjc n GLY 92 Ca -0.25 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.12 3.11 0.00 -0.02 0.00 -1.26 -5.04 105.19 101.86 1fjc n GLY 93 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.41 2.61 5.66 -1.26 -4.99 114.28 114.89 1fjc n THR 94 Ca 0.00 0.00 -0.49 0.00 -3.05 0.00 0.00 64.05 60.51 1fjc n THR 94 Cb 0.00 -1.24 -0.04 0.00 -1.55 0.00 0.00 70.33 67.51 1fjc n THR 94 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1fjc n ARG 95 N -0.57 0.00 0.00 1.09 0.63 -1.26 -5.14 116.66 111.41 1fjc n ARG 95 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1fjc n ARG 95 Cb 0.00 -1.06 0.00 0.00 0.45 0.00 0.00 32.46 31.85 1fjc n ARG 95 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53