#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 -1.35 -3.97 1.43 -0.00 -1.26 -5.15 115.22 104.92 1fjc n HIS 2 Ca 0.00 -1.61 -0.10 0.00 -0.00 0.00 0.00 57.72 56.02 1fjc n HIS 2 Cb 0.00 -0.34 -0.07 0.00 -0.00 0.00 0.00 29.99 29.58 1fjc n HIS 2 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1fjc s MET 3 N -3.68 1.26 0.00 -1.40 -2.45 -1.26 -5.13 119.30 106.64 1fjc s MET 3 Ca 0.29 -1.19 0.00 0.00 -1.25 0.00 0.00 55.69 53.53 1fjc s MET 3 Cb -0.02 0.40 0.00 0.00 1.25 0.00 0.00 34.83 36.46 1fjc s MET 3 CO 0.18 -0.48 0.00 1.28 1.05 0.00 0.00 175.02 177.05 1fjc n LEU 4 N -0.26 0.08 -3.74 4.11 4.77 -1.26 -4.46 117.00 116.23 1fjc n LEU 4 Ca -0.06 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.50 1fjc n LEU 4 Cb 0.63 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.70 1fjc n LEU 4 CO 0.24 0.00 2.48 1.21 -1.33 0.00 0.00 177.39 179.98 1fjc n GLU 5 N -0.01 2.45 -0.22 3.23 4.07 -1.26 -4.72 120.64 124.17 1fjc n GLU 5 Ca 0.00 -2.40 0.01 0.00 -0.06 0.00 0.00 57.16 54.71 1fjc n GLU 5 Cb 0.00 -3.19 0.13 0.00 -0.06 0.00 0.00 31.44 28.31 1fjc n GLU 5 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1fjc h ASP 6 N 6.67 0.31 -0.01 4.31 1.82 -2.01 0.11 116.42 127.62 1fjc h ASP 6 Ca 0.52 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 57.23 1fjc h ASP 6 Cb 0.66 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.71 1fjc h ASP 6 CO 1.89 0.17 0.00 -0.81 -1.61 0.00 0.00 179.24 178.88 1fjc n PRO 7 N -4.95 1.08 0.00 0.28 -0.04 -1.26 -3.21 135.00 126.90 1fjc n PRO 7 Ca 0.10 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1fjc n PRO 7 Cb 0.29 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 2.11 0.00 0.00 0.00 2.02 -1.24 -3.05 112.91 112.75 1fjc h THR 9 Ca 0.00 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.00 1fjc h THR 9 Cb 0.78 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 1fjc h THR 9 CO 0.00 0.00 0.16 -1.20 0.37 0.00 0.00 175.52 174.85 1fjc n SER 10 N -2.66 4.30 -0.08 4.18 7.64 -1.26 -4.30 113.62 121.44 1fjc n SER 10 Ca -0.02 -2.27 -0.12 0.00 1.01 0.00 0.00 58.87 57.47 1fjc n SER 10 Cb 0.40 -1.11 -0.08 0.00 -1.01 0.00 0.00 64.21 62.41 1fjc n SER 10 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1fjc h LYS 11 N 3.90 0.00 -0.03 1.43 1.79 -1.96 -3.31 116.57 118.39 1fjc h LYS 11 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 1fjc h LYS 11 Cb 1.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1fjc h LYS 11 CO 0.43 0.64 0.00 1.63 -1.08 0.00 0.00 179.45 181.07 1fjc n LYS 12 N -4.59 1.09 0.08 3.15 5.02 -1.26 -3.10 118.16 118.55 1fjc n LYS 12 Ca -0.14 -0.14 0.01 0.00 -2.02 0.00 0.00 58.31 56.02 1fjc n LYS 12 Cb 0.41 -1.24 -0.04 0.00 -0.02 0.00 0.00 35.03 34.14 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 0.27 0.66 -0.09 -0.18 2.07 -1.84 -3.24 116.25 113.91 1fjc h VAL 13 Ca 0.00 -2.10 -0.04 0.00 0.82 0.00 0.00 66.70 65.38 1fjc h VAL 13 Cb 0.06 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1fjc h VAL 13 CO 0.00 0.38 -0.12 -0.09 0.02 0.00 0.00 177.57 177.76 1fjc h ARG 14 N 0.00 0.24 0.00 1.57 2.43 -1.66 -2.77 114.38 114.18 1fjc h ARG 14 Ca -0.09 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1fjc h ARG 14 Cb 1.50 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.06 1fjc h ARG 14 CO 0.05 0.69 0.00 0.00 -1.51 0.00 0.00 179.97 179.21 1fjc n ALA 15 N -2.41 2.01 0.21 2.80 0.00 -1.26 -2.56 120.51 119.31 1fjc n ALA 15 Ca -0.07 -0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.38 1fjc n ALA 15 Cb 0.35 -1.30 0.31 0.00 0.00 0.00 0.00 19.45 18.81 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 2.91 0.93 -0.54 0.00 0.00 -1.51 -3.04 119.26 118.01 1fjc h ALA 16 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1fjc h ALA 16 Cb 0.14 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1fjc h ALA 16 CO 0.00 0.21 0.15 2.89 0.00 0.00 0.00 179.25 182.51 1fjc n ARG 17 N -3.20 3.38 -3.69 0.00 1.85 -1.06 -3.97 116.66 109.97 1fjc n ARG 17 Ca 0.02 -2.39 -0.10 0.00 -1.00 0.00 0.00 57.85 54.38 1fjc n ARG 17 Cb 0.51 -2.04 -0.11 0.00 -1.05 0.00 0.00 32.46 29.78 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 -2.41 -0.04 0.14 8.89 2.01 -1.15 0.50 115.64 123.59 1fjc s THR 18 Ca 0.42 0.09 0.08 0.00 0.31 0.00 0.00 61.69 62.59 1fjc s THR 18 Cb 0.33 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 72.17 1fjc s THR 18 CO 0.11 0.04 -0.18 -1.48 -0.69 0.00 0.00 174.62 172.42 1fjc s LEU 19 N 1.44 2.40 -0.18 4.42 -0.00 0.11 -3.49 118.68 123.38 1fjc s LEU 19 Ca -0.09 -0.81 -0.17 0.00 -0.00 0.00 0.00 54.13 53.06 1fjc s LEU 19 Cb -0.08 -0.78 -0.04 0.00 -0.00 0.00 0.00 46.19 45.29 1fjc s LEU 19 CO -0.13 -0.04 0.43 -0.22 -0.00 0.00 0.00 176.35 176.39 1fjc s LEU 20 N -2.45 4.19 0.11 1.48 2.96 0.71 -0.66 118.68 125.01 1fjc s LEU 20 Ca 0.12 0.61 -0.30 0.00 -0.22 0.00 0.00 54.13 54.34 1fjc s LEU 20 Cb -0.06 -2.58 -0.06 0.00 0.50 0.00 0.00 46.19 43.99 1fjc s LEU 20 CO 0.05 -0.07 0.99 0.00 -1.32 0.00 0.00 176.35 176.01 1fjc s ALA 21 N 1.16 3.26 0.26 5.97 0.00 0.60 0.28 121.76 133.29 1fjc s ALA 21 Ca 0.21 0.62 0.04 0.00 0.00 0.00 0.00 51.96 52.83 1fjc s ALA 21 Cb -0.15 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1fjc s ALA 21 CO 0.08 -0.08 0.16 1.17 0.00 0.00 0.00 175.76 177.09 1fjc n LYS 22 N 2.86 0.45 -1.29 0.00 4.81 0.66 0.14 118.16 125.79 1fjc n LYS 22 Ca 0.03 -2.41 -0.12 0.00 -0.87 0.00 0.00 58.31 54.95 1fjc n LYS 22 Cb 0.49 1.70 -0.05 0.00 0.02 0.00 0.00 35.03 37.19 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 -1.91 -4.90 -1.58 3.14 5.15 -1.05 0.93 115.26 115.04 1fjc n ASN 23 Ca 0.02 0.29 0.00 0.00 -0.60 0.00 0.00 54.58 54.28 1fjc n ASN 23 Cb 0.43 -3.84 0.00 0.00 -0.53 0.00 0.00 39.78 35.84 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 -1.41 0.00 0.00 1.20 4.77 -0.63 -4.26 117.00 116.68 1fjc n LEU 24 Ca -0.12 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1fjc n LEU 24 Cb 0.54 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1fjc n LEU 24 CO 0.18 0.00 -0.00 -1.54 -1.33 0.00 0.00 177.39 174.70 1fjc n SER 25 N 0.00 0.79 -0.06 -1.43 3.41 -1.26 -4.71 113.62 110.36 1fjc n SER 25 Ca 0.00 -1.01 -0.09 0.00 -0.26 0.00 0.00 58.87 57.51 1fjc n SER 25 Cb 0.00 0.01 -0.15 0.00 -0.26 0.00 0.00 64.21 63.81 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 -0.00 0.47 0.04 7.33 3.01 -1.26 -4.14 117.46 122.91 1fjc n PHE 26 Ca -0.00 0.17 -0.02 0.00 1.01 0.00 0.00 57.45 58.61 1fjc n PHE 26 Cb 0.00 -1.08 -0.08 0.00 -0.01 0.00 0.00 39.48 38.32 1fjc n PHE 26 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 1fjc h ASN 27 N 0.00 0.00 -3.56 4.37 -1.24 -2.02 -3.47 115.58 109.66 1fjc h ASN 27 Ca -0.41 0.00 -0.55 0.00 0.71 0.00 0.00 56.30 56.05 1fjc h ASN 27 Cb 2.10 0.00 0.19 0.00 0.73 0.00 0.00 38.32 41.34 1fjc h ASN 27 CO 0.05 0.70 -0.18 0.00 -1.29 0.00 0.00 177.43 176.72 1fjc n ILE 28 N -3.04 1.75 -3.64 2.57 0.13 -1.26 -5.01 119.36 110.86 1fjc n ILE 28 Ca -0.08 -0.32 -0.05 0.00 -1.10 0.00 0.00 62.75 61.20 1fjc n ILE 28 Cb 0.88 -0.89 -0.01 0.00 -0.84 0.00 0.00 39.64 38.78 1fjc n ILE 28 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 1fjc n THR 29 N -2.80 0.00 -0.20 9.51 -2.24 -1.26 -4.93 114.28 112.36 1fjc n THR 29 Ca 0.11 -0.63 0.18 0.00 -2.27 0.00 0.00 64.05 61.44 1fjc n THR 29 Cb 0.50 0.43 0.51 0.00 -2.10 0.00 0.00 70.33 69.68 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 0.39 0.49 -0.78 4.57 -1.92 -0.16 114.58 117.16 1fjc h GLU 30 Ca -0.12 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 1fjc h GLU 30 Cb 0.48 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1fjc h GLU 30 CO 0.15 0.26 -0.42 -0.44 -1.18 0.00 0.00 179.01 177.38 1fjc h ASP 31 N 0.40 -1.13 -0.58 1.04 3.32 -1.96 2.12 116.42 119.63 1fjc h ASP 31 Ca 0.42 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.59 1fjc h ASP 31 Cb 1.03 0.36 -0.03 0.00 0.22 0.00 0.00 39.33 40.91 1fjc h ASP 31 CO -0.14 -0.58 0.38 -0.33 -1.72 0.00 0.00 179.24 176.85 1fjc h GLU 32 N -0.89 0.65 0.00 3.56 3.07 -1.77 0.38 114.58 119.58 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 0.75 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 1fjc h GLU 32 CO -0.01 0.43 -0.50 -0.07 -1.40 0.00 0.00 179.01 177.46 1fjc h LEU 33 N 0.67 0.00 -0.26 1.33 3.38 -0.26 0.12 115.31 120.29 1fjc h LEU 33 Ca 0.23 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 1fjc h LEU 33 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1fjc h LEU 33 CO -0.06 0.50 -0.49 0.50 0.09 0.00 0.00 178.44 178.97 1fjc h LYS 34 N 0.00 0.00 0.06 1.13 1.63 0.66 0.47 116.57 120.52 1fjc h LYS 34 Ca -0.00 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.55 1fjc h LYS 34 Cb 0.88 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.50 1fjc h LYS 34 CO 0.06 0.49 -1.17 1.49 -3.45 0.00 0.00 179.45 176.88 1fjc h GLU 35 N 0.00 0.13 0.15 1.90 4.22 0.32 -3.04 114.58 118.25 1fjc h GLU 35 Ca -0.00 -0.22 -0.30 0.00 0.08 0.00 0.00 59.36 58.92 1fjc h GLU 35 Cb 1.27 0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.61 1fjc h GLU 35 CO 0.06 1.08 -1.44 0.28 -2.18 0.00 0.00 179.01 176.81 1fjc h VAL 36 N 0.03 1.28 -2.38 0.32 2.07 -0.72 -3.37 116.25 113.47 1fjc h VAL 36 Ca -0.09 -2.86 -0.66 0.00 0.82 0.00 0.00 66.70 63.92 1fjc h VAL 36 Cb 1.88 2.87 -0.38 0.00 -1.52 0.00 0.00 31.29 34.14 1fjc h VAL 36 CO 0.16 0.85 -0.20 0.49 0.02 0.00 0.00 177.57 178.89 1fjc n PHE 37 N -3.53 3.29 1.35 1.57 3.72 0.15 -4.84 117.46 119.18 1fjc n PHE 37 Ca -0.14 -3.70 0.01 0.00 -0.05 0.00 0.00 57.45 53.57 1fjc n PHE 37 Cb 1.05 -0.75 0.05 0.00 -0.94 0.00 0.00 39.48 38.88 1fjc n PHE 37 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1fjc n GLU 38 N 0.88 1.33 -0.11 -1.08 1.02 -1.15 -3.36 120.64 118.16 1fjc n GLU 38 Ca 0.29 -0.37 0.08 0.00 -0.02 0.00 0.00 57.16 57.15 1fjc n GLU 38 Cb 0.38 -1.27 0.11 0.00 -0.02 0.00 0.00 31.44 30.65 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 -0.11 2.04 -4.81 1.62 -0.08 -1.26 -5.05 116.55 108.90 1fjc n ASP 39 Ca 0.03 -2.87 -0.27 0.00 -1.51 0.00 0.00 54.79 50.18 1fjc n ASP 39 Cb 0.19 -0.37 -0.05 0.00 2.34 0.00 0.00 41.12 43.23 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 -2.39 4.05 -0.10 -1.67 0.00 -1.21 -4.30 121.76 116.14 1fjc s ALA 40 Ca 0.26 -1.37 -0.26 0.00 0.00 0.00 0.00 51.96 50.59 1fjc s ALA 40 Cb 0.22 -0.43 -0.28 0.00 0.00 0.00 0.00 23.12 22.63 1fjc s ALA 40 CO 0.02 -0.24 0.83 -0.07 0.00 0.00 0.00 175.76 176.30 1fjc h LEU 41 N 1.14 0.20 -7.30 0.00 3.38 -0.25 -3.44 115.31 109.04 1fjc h LEU 41 Ca -0.41 -0.97 0.04 0.00 0.09 0.00 0.00 57.88 56.63 1fjc h LEU 41 Cb 1.29 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.87 1fjc h LEU 41 CO 0.66 1.16 0.28 -1.61 0.09 0.00 0.00 178.44 179.01 1fjc s GLU 42 N -2.35 1.33 0.03 1.13 2.02 -0.98 -5.03 118.70 114.85 1fjc s GLU 42 Ca -0.17 -0.59 0.03 0.00 0.02 0.00 0.00 54.97 54.27 1fjc s GLU 42 Cb -0.01 0.55 -0.02 0.00 0.10 0.00 0.00 34.13 34.75 1fjc s GLU 42 CO 0.75 -0.59 -0.09 0.42 0.02 0.00 0.00 175.26 175.77 1fjc s ILE 43 N -3.66 0.68 0.25 -1.63 1.01 -1.26 -1.10 121.20 115.49 1fjc s ILE 43 Ca 0.05 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.86 1fjc s ILE 43 Cb -0.02 -0.67 -0.05 0.00 0.01 0.00 0.00 42.46 41.72 1fjc s ILE 43 CO -0.06 -0.18 -0.02 -0.60 0.00 0.00 0.00 174.94 174.08 1fjc s ARG 44 N -1.17 1.41 0.34 2.79 6.06 0.81 -4.89 118.95 124.30 1fjc s ARG 44 Ca -0.04 -1.72 0.07 0.00 -2.50 0.00 0.00 55.73 51.54 1fjc s ARG 44 Cb -0.08 -0.78 -0.03 0.00 0.06 0.00 0.00 34.95 34.13 1fjc s ARG 44 CO 0.01 -0.06 0.31 -1.17 -2.50 0.00 0.00 175.30 171.88 1fjc s LEU 45 N -3.35 3.61 -0.21 -0.88 2.96 -1.26 0.78 118.68 120.32 1fjc s LEU 45 Ca 0.29 -0.49 -0.18 0.00 -0.22 0.00 0.00 54.13 53.53 1fjc s LEU 45 Cb 0.05 -2.23 0.06 0.00 0.50 0.00 0.00 46.19 44.57 1fjc s LEU 45 CO 0.10 -0.37 0.55 -0.69 -1.32 0.00 0.00 176.35 174.62 1fjc s VAL 46 N -2.31 -0.00 0.00 1.68 1.01 0.80 -4.42 120.40 117.16 1fjc s VAL 46 Ca 0.41 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1fjc s VAL 46 Cb -0.06 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.54 1fjc s VAL 46 CO 0.27 0.00 0.00 -1.54 0.00 0.00 0.00 175.10 173.83 1fjc n SER 47 N 3.06 1.38 0.09 3.32 3.41 -1.26 -0.16 113.62 123.46 1fjc n SER 47 Ca -0.15 -0.82 -0.16 0.00 -0.26 0.00 0.00 58.87 57.48 1fjc n SER 47 Cb 0.56 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.42 1fjc n SER 47 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1fjc h GLN 48 N 0.00 0.41 0.00 4.33 -0.00 -1.68 -3.43 115.11 114.74 1fjc h GLN 48 Ca 0.00 -0.55 0.00 0.00 -0.00 0.00 0.00 58.65 58.10 1fjc h GLN 48 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 27.48 27.66 1fjc h GLN 48 CO 0.00 1.21 0.00 -3.47 0.00 0.00 0.00 178.83 176.57 1fjc n ASP 49 N -3.68 0.00 -0.80 -0.69 2.03 -1.26 -4.95 116.55 107.20 1fjc n ASP 49 Ca -0.09 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.20 1fjc n ASP 49 Cb 0.94 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.32 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 0.00 0.76 3.63 0.27 0.00 -1.26 -5.10 105.19 103.49 1fjc n GLY 50 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.27 0.13 1.61 2.20 -1.26 -5.13 119.74 117.56 1fjc s LYS 51 Ca 0.04 0.47 -0.33 0.00 -0.36 0.00 0.00 55.97 55.80 1fjc s LYS 51 Cb 0.05 0.07 -0.18 0.00 -1.51 0.00 0.00 37.83 36.26 1fjc s LYS 51 CO -0.02 -0.06 0.82 0.45 -0.36 0.00 0.00 175.35 176.18 1fjc n SER 52 N 3.57 -0.35 0.00 1.43 2.88 -1.26 -2.10 113.62 117.79 1fjc n SER 52 Ca -0.18 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1fjc n SER 52 Cb 0.57 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 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 1.26 3.65 -0.59 -1.46 0.00 -1.25 -4.64 118.16 115.12 1fjc n LYS 53 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 58.31 58.37 1fjc n LYS 53 Cb 0.20 -0.54 0.00 0.00 0.00 0.00 0.00 35.03 34.69 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 0.55 1.31 3.79 3.14 0.00 -1.24 -4.62 105.19 108.12 1fjc n GLY 54 Ca 0.00 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 3.83 -0.14 -0.61 1.01 0.78 -1.60 121.20 122.47 1fjc s ILE 55 Ca 0.00 -1.52 -0.30 0.00 0.00 0.00 0.00 60.65 58.83 1fjc s ILE 55 Cb 0.00 -3.19 0.10 0.00 0.01 0.00 0.00 42.46 39.39 1fjc s ILE 55 CO 0.00 -0.28 0.88 0.00 0.00 0.00 0.00 174.94 175.54 1fjc s ALA 56 N -2.25 -1.87 -0.31 9.38 0.00 0.38 0.28 121.76 127.36 1fjc s ALA 56 Ca 0.36 1.55 -0.13 0.00 0.00 0.00 0.00 51.96 53.74 1fjc s ALA 56 Cb -0.06 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 1fjc s ALA 56 CO 0.24 -0.32 0.25 0.71 0.00 0.00 0.00 175.76 176.64 1fjc s TYR 57 N -0.94 3.22 -0.15 0.00 2.02 0.23 0.22 117.35 121.96 1fjc s TYR 57 Ca -0.04 0.01 0.02 0.00 -0.37 0.00 0.00 57.07 56.69 1fjc s TYR 57 Cb -0.01 -2.48 0.01 0.00 -0.40 0.00 0.00 41.96 39.09 1fjc s TYR 57 CO 0.04 -0.28 -0.21 0.42 -1.57 0.00 0.00 175.55 173.95 1fjc s ILE 58 N 1.82 2.00 -0.10 2.71 1.01 0.16 0.28 121.20 129.08 1fjc s ILE 58 Ca 0.08 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.82 1fjc s ILE 58 Cb -0.17 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 1fjc s ILE 58 CO 0.11 0.54 -0.17 -1.83 0.00 0.00 0.00 174.94 173.58 1fjc s GLU 59 N 0.99 3.06 0.51 2.79 -1.05 -0.26 0.06 118.70 124.79 1fjc s GLU 59 Ca -0.03 -0.76 0.08 0.00 -0.15 0.00 0.00 54.97 54.10 1fjc s GLU 59 Cb -0.15 -2.45 0.03 0.00 -0.44 0.00 0.00 34.13 31.13 1fjc s GLU 59 CO -0.05 0.29 0.53 -0.06 0.95 0.00 0.00 175.26 176.92 1fjc s PHE 60 N 0.11 1.97 0.42 4.83 0.40 0.18 0.42 117.98 126.32 1fjc s PHE 60 Ca -0.08 -0.67 0.35 0.00 -0.60 0.00 0.00 56.93 55.93 1fjc s PHE 60 Cb -0.15 -2.12 1.93 0.00 0.51 0.00 0.00 43.02 43.19 1fjc s PHE 60 CO 0.05 -0.58 2.08 0.87 0.70 0.00 0.00 175.22 178.35 1fjc h LYS 61 N 0.64 0.00 -1.52 0.44 1.57 -1.82 -3.40 116.57 112.48 1fjc h LYS 61 Ca -0.36 0.00 0.40 0.00 -1.87 0.00 0.00 60.65 58.82 1fjc h LYS 61 Cb 1.29 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.49 1fjc h LYS 61 CO 0.51 0.00 1.00 -1.54 -0.57 0.00 0.00 179.45 178.85 1fjc s SER 62 N -4.68 -0.00 0.43 0.86 1.04 -1.26 -4.96 113.70 105.12 1fjc s SER 62 Ca -0.04 -0.02 0.09 0.00 0.48 0.00 0.00 55.95 56.46 1fjc s SER 62 Cb 0.10 0.02 0.93 0.00 0.10 0.00 0.00 66.02 67.17 1fjc s SER 62 CO 0.32 -0.03 2.05 -0.08 0.98 0.00 0.00 173.24 176.48 1fjc h GLU 63 N 2.00 0.46 -0.34 4.02 4.81 -1.82 0.10 114.58 123.80 1fjc h GLU 63 Ca -0.27 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.89 1fjc h GLU 63 Cb 1.18 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1fjc h GLU 63 CO 0.30 0.30 0.05 0.00 -0.73 0.00 0.00 179.01 178.93 1fjc h ALA 64 N 1.76 0.46 -0.02 2.92 0.00 -1.94 0.92 119.26 123.35 1fjc h ALA 64 Ca 0.16 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1fjc h ALA 64 Cb 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1fjc h ALA 64 CO -0.04 0.17 -0.01 -0.44 0.00 0.00 0.00 179.25 178.93 1fjc h ASP 65 N 0.40 0.04 -0.07 0.00 5.19 -1.74 -0.42 116.42 119.83 1fjc h ASP 65 Ca 0.10 -0.38 -0.05 0.00 -0.62 0.00 0.00 57.03 56.09 1fjc h ASP 65 Cb 0.37 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 1fjc h ASP 65 CO 0.01 0.41 -0.08 0.00 -3.12 0.00 0.00 179.24 176.46 1fjc h ALA 66 N 0.63 1.47 0.06 3.45 0.00 -0.94 -0.11 119.26 123.82 1fjc h ALA 66 Ca 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1fjc h ALA 66 Cb 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1fjc h ALA 66 CO 0.00 0.37 -0.03 0.93 0.00 0.00 0.00 179.25 180.53 1fjc h GLU 67 N 0.32 -0.07 -0.76 0.00 4.39 0.11 0.95 114.58 119.51 1fjc h GLU 67 Ca 0.07 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 1fjc h GLU 67 Cb 0.35 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 1fjc h GLU 67 CO 0.02 0.40 0.40 -0.22 -1.16 0.00 0.00 179.01 178.45 1fjc h LYS 68 N -0.59 1.06 0.04 2.33 3.11 -0.93 0.57 116.57 122.16 1fjc h LYS 68 Ca -0.01 -0.13 -0.00 0.00 -2.81 0.00 0.00 60.65 57.70 1fjc h LYS 68 Cb 0.51 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 31.54 1fjc h LYS 68 CO 0.01 0.79 -0.02 -0.91 -2.81 0.00 0.00 179.45 176.51 1fjc h ASN 69 N 1.06 -0.05 -0.84 4.20 -0.26 -0.99 0.75 115.58 119.46 1fjc h ASN 69 Ca 0.27 -0.64 0.17 0.00 -0.56 0.00 0.00 56.30 55.53 1fjc h ASN 69 Cb 0.05 0.01 -0.06 0.00 -1.06 0.00 0.00 38.32 37.26 1fjc h ASN 69 CO -0.04 0.70 0.56 0.25 -1.06 0.00 0.00 177.43 177.83 1fjc h LEU 70 N -0.87 0.46 0.21 1.61 6.46 0.10 1.96 115.31 125.24 1fjc h LEU 70 Ca -0.01 0.03 -0.29 0.00 -0.12 0.00 0.00 57.88 57.50 1fjc h LEU 70 Cb 0.68 -0.05 0.03 0.00 -0.73 0.00 0.00 40.66 40.59 1fjc h LEU 70 CO 0.01 0.22 -1.25 -0.33 -0.62 0.00 0.00 178.44 176.47 1fjc h GLU 71 N 0.48 0.48 -0.02 1.25 4.39 -0.90 0.18 114.58 120.43 1fjc h GLU 71 Ca 0.43 -0.79 -0.14 0.00 0.34 0.00 0.00 59.36 59.19 1fjc h GLU 71 Cb 0.94 0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 29.87 1fjc h GLU 71 CO -0.16 1.38 -0.65 1.49 -1.16 0.00 0.00 179.01 179.90 1fjc h GLU 72 N -0.00 0.09 0.01 2.33 4.57 0.66 -3.23 114.58 119.01 1fjc h GLU 72 Ca -0.21 -0.07 -0.30 0.00 -1.18 0.00 0.00 59.36 57.60 1fjc h GLU 72 Cb 1.98 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 30.53 1fjc h GLU 72 CO 0.23 0.71 -1.73 1.63 -1.18 0.00 0.00 179.01 178.68 1fjc n LYS 73 N -3.80 0.64 -1.32 1.92 4.01 0.65 -4.73 118.16 115.53 1fjc n LYS 73 Ca -0.02 0.30 -0.23 0.00 -0.51 0.00 0.00 58.31 57.85 1fjc n LYS 73 Cb 0.64 -1.79 -0.19 0.00 -0.51 0.00 0.00 35.03 33.19 1fjc n LYS 73 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1fjc n GLN 74 N -3.07 0.00 0.00 1.97 1.13 0.64 -0.17 117.38 117.88 1fjc n GLN 74 Ca -0.18 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 1fjc n GLN 74 Cb 1.05 -0.97 0.00 0.00 0.11 0.00 0.00 30.24 30.43 1fjc n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1fjc n GLY 75 N 5.01 2.70 0.51 1.08 0.00 0.13 -4.97 105.19 109.64 1fjc n GLY 75 Ca 0.59 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.00 -1.53 4.61 0.00 0.76 0.28 120.51 123.63 1fjc n ALA 76 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1fjc n ALA 76 Cb 0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 19.45 19.29 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 1.41 0.73 -4.07 0.00 2.13 -1.26 -2.68 120.64 116.89 1fjc n GLU 77 Ca 0.00 -0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 1fjc n GLU 77 Cb 0.00 -2.85 -0.04 0.00 0.27 0.00 0.00 31.44 28.82 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 11.23 0.00 -0.36 6.31 -1.09 0.32 -4.86 121.20 132.75 1fjc s ILE 78 Ca 1.10 -1.56 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 1fjc s ILE 78 Cb -0.51 -2.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 1fjc s ILE 78 CO 0.33 0.00 0.00 -0.90 -1.23 0.00 0.00 174.94 173.14 1fjc n ASP 79 N -1.45 -1.89 -0.10 3.58 5.68 -1.26 0.30 116.55 121.41 1fjc n ASP 79 Ca 0.00 0.37 -0.01 0.00 -0.50 0.00 0.00 54.79 54.65 1fjc n ASP 79 Cb 0.61 -1.74 -0.01 0.00 -1.14 0.00 0.00 41.12 38.85 1fjc n ASP 79 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fjc n GLY 80 N -0.55 0.31 0.00 6.12 0.00 -1.26 -4.85 105.19 104.96 1fjc n GLY 80 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1fjc n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fjc n ARG 81 N -0.73 0.00 -3.88 1.61 1.74 0.87 -5.14 116.66 111.13 1fjc n ARG 81 Ca -0.01 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.71 1fjc n ARG 81 Cb 0.32 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.66 1fjc n ARG 81 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1fjc s SER 82 N 1.73 5.61 0.41 0.55 1.04 -1.26 0.12 113.70 121.90 1fjc s SER 82 Ca 0.00 0.01 -0.24 0.00 0.48 0.00 0.00 55.95 56.21 1fjc s SER 82 Cb 0.00 -1.98 -0.09 0.00 0.10 0.00 0.00 66.02 64.05 1fjc s SER 82 CO 0.00 0.10 1.07 0.54 0.98 0.00 0.00 173.24 175.93 1fjc s VAL 83 N 0.83 3.63 0.04 5.02 0.11 0.79 -4.79 120.40 126.04 1fjc s VAL 83 Ca 0.04 1.23 0.03 0.00 -2.93 0.00 0.00 61.98 60.36 1fjc s VAL 83 Cb -0.13 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 31.05 1fjc s VAL 83 CO 0.02 -0.01 -0.00 -0.44 -3.33 0.00 0.00 175.10 171.35 1fjc s SER 84 N -1.55 5.06 -0.23 3.54 0.01 0.27 0.17 113.70 120.97 1fjc s SER 84 Ca 0.59 -0.09 -0.06 0.00 1.31 0.00 0.00 55.95 57.70 1fjc s SER 84 Cb -0.23 -1.26 -0.02 0.00 0.21 0.00 0.00 66.02 64.72 1fjc s SER 84 CO 0.28 0.23 0.03 -0.76 0.41 0.00 0.00 173.24 173.43 1fjc s LEU 85 N -1.92 3.27 -0.58 2.44 2.01 -1.26 0.24 118.68 122.88 1fjc s LEU 85 Ca 0.23 -0.24 -0.08 0.00 0.01 0.00 0.00 54.13 54.04 1fjc s LEU 85 Cb -0.12 -1.86 0.15 0.00 0.01 0.00 0.00 46.19 44.38 1fjc s LEU 85 CO 0.14 -0.00 0.45 -0.31 1.01 0.00 0.00 176.35 177.64 1fjc s TYR 86 N 1.39 3.49 0.00 0.29 1.51 0.79 -4.87 117.35 119.95 1fjc s TYR 86 Ca 0.05 -2.12 0.00 0.00 -1.01 0.00 0.00 57.07 53.99 1fjc s TYR 86 Cb -0.15 -3.48 0.00 0.00 -0.11 0.00 0.00 41.96 38.22 1fjc s TYR 86 CO 0.02 -0.96 0.00 0.98 -1.11 0.00 0.00 175.55 174.48 1fjc n TYR 87 N 4.36 -1.25 -2.98 2.71 4.19 -1.26 0.26 117.16 123.18 1fjc n TYR 87 Ca 0.00 0.00 0.03 0.00 3.31 0.00 0.00 57.90 61.24 1fjc n TYR 87 Cb 0.41 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.24 1fjc n TYR 87 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 1fjc s THR 88 N -0.59 -0.41 0.00 2.97 -4.23 -1.23 -4.27 115.64 107.88 1fjc s THR 88 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1fjc s THR 88 Cb 0.00 -0.15 0.00 0.00 1.34 0.00 0.00 72.50 73.69 1fjc s THR 88 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1fjc n GLY 89 N 4.37 0.74 0.15 3.99 0.00 -1.26 -3.46 105.19 109.72 1fjc n GLY 89 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1fjc n GLY 89 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fjc n GLU 90 N 0.00 0.00 -0.09 1.61 1.02 -1.26 -4.65 120.64 117.27 1fjc n GLU 90 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1fjc n GLU 90 Cb 0.00 -0.73 -0.16 0.00 -0.02 0.00 0.00 31.44 30.53 1fjc n GLU 90 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1fjc n LYS 91 N -2.15 0.69 0.00 3.49 3.00 -1.26 -5.06 118.16 116.87 1fjc n LYS 91 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1fjc n LYS 91 Cb 0.28 -1.53 0.00 0.00 0.00 0.00 0.00 35.03 33.79 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 1.71 0.62 3.86 3.14 0.00 -1.26 -4.55 105.19 108.70 1fjc n GLY 92 Ca -0.31 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 1fjc n GLY 92 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fjc s GLY 93 N -1.03 2.23 0.00 -0.02 0.00 -1.26 -5.03 107.32 102.22 1fjc s GLY 93 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.70 1fjc s GLY 93 CO 0.00 0.18 0.00 2.41 0.00 0.00 0.00 173.10 175.69 1fjc n THR 94 N -0.61 0.00 0.00 0.90 -1.04 -1.26 -5.19 114.28 107.08 1fjc n THR 94 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1fjc n THR 94 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 1fjc n THR 94 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1fjc n ARG 95 N 0.00 0.00 0.00 -2.82 1.85 -1.26 -5.31 116.66 109.12 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