#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 2.52 -1.82 0.66 -0.00 -1.26 -4.58 115.22 110.75 1fjc n HIS 2 Ca 0.00 -2.99 -0.29 0.00 -0.00 0.00 0.00 57.72 54.44 1fjc n HIS 2 Cb 0.00 -2.24 0.04 0.00 -0.00 0.00 0.00 29.99 27.79 1fjc n HIS 2 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1fjc n MET 3 N 2.94 3.23 -2.71 -0.41 0.00 -1.26 -4.93 117.12 113.99 1fjc n MET 3 Ca 0.72 -3.86 -0.43 0.00 -0.00 0.00 0.00 57.70 54.13 1fjc n MET 3 Cb 0.24 -2.28 -0.01 0.00 0.00 0.00 0.00 33.22 31.17 1fjc n MET 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1fjc s LEU 4 N -3.70 4.23 0.00 -0.89 1.43 -1.26 -4.97 118.68 113.51 1fjc s LEU 4 Ca 0.56 -2.36 0.00 0.00 -1.03 0.00 0.00 54.13 51.29 1fjc s LEU 4 Cb 0.45 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 44.15 1fjc s LEU 4 CO -0.02 -1.11 0.00 -1.84 0.23 0.00 0.00 176.35 173.61 1fjc n GLU 5 N 7.55 2.52 -2.66 1.70 0.00 -1.26 -5.05 120.64 123.45 1fjc n GLU 5 Ca 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.55 1fjc n GLU 5 Cb 0.46 0.00 0.03 0.00 0.00 0.00 0.00 31.44 31.93 1fjc n GLU 5 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1fjc s ASP 6 N -2.01 -0.03 -0.05 -1.84 2.15 -1.26 -5.01 116.67 108.62 1fjc s ASP 6 Ca 0.00 -0.03 0.01 0.00 0.43 0.00 0.00 52.55 52.96 1fjc s ASP 6 Cb 0.00 0.04 0.11 0.00 -0.30 0.00 0.00 42.92 42.77 1fjc s ASP 6 CO 0.00 -0.00 0.89 -0.81 -0.17 0.00 0.00 175.17 175.07 1fjc n PRO 7 N 2.84 1.41 0.00 4.34 -0.04 -1.26 -4.21 135.00 138.08 1fjc n PRO 7 Ca 0.08 -0.46 0.05 0.00 -0.04 0.00 0.00 63.50 63.13 1fjc n PRO 7 Cb 0.66 -1.42 0.23 0.00 -0.04 0.00 0.00 33.50 32.93 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 -1.39 0.00 -3.10 0.00 -1.04 -1.26 -3.02 114.28 104.46 1fjc n THR 9 Ca 0.04 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.91 1fjc n THR 9 Cb 0.10 -0.32 0.05 0.00 -1.82 0.00 0.00 70.33 68.33 1fjc n THR 9 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1fjc n SER 10 N -0.14 -4.18 0.08 8.00 2.88 -1.26 -4.93 113.62 114.07 1fjc n SER 10 Ca 0.00 -0.33 -0.12 0.00 -1.33 0.00 0.00 58.87 57.09 1fjc n SER 10 Cb 0.07 -3.21 -0.05 0.00 -0.75 0.00 0.00 64.21 60.27 1fjc n SER 10 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1fjc h LYS 11 N -1.53 -0.27 -0.09 -1.46 3.64 -1.95 -0.13 116.57 114.77 1fjc h LYS 11 Ca -0.34 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1fjc h LYS 11 Cb 1.22 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1fjc h LYS 11 CO 0.33 -0.18 0.00 1.63 -2.27 0.00 0.00 179.45 178.96 1fjc n LYS 12 N -5.28 1.23 -0.01 1.90 5.02 -1.26 -3.23 118.16 116.54 1fjc n LYS 12 Ca -0.06 -0.36 0.01 0.00 -2.02 0.00 0.00 58.31 55.88 1fjc n LYS 12 Cb 0.20 -1.13 -0.12 0.00 -0.02 0.00 0.00 35.03 33.96 1fjc n LYS 12 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1fjc n VAL 13 N -0.25 0.92 0.07 -0.18 0.31 -0.10 -4.15 118.33 114.95 1fjc n VAL 13 Ca 0.06 -0.68 -0.08 0.00 -0.01 0.00 0.00 64.34 63.63 1fjc n VAL 13 Cb 0.10 -0.47 0.05 0.00 -0.91 0.00 0.00 33.84 32.61 1fjc n VAL 13 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1fjc h ARG 14 N 0.00 0.32 0.00 5.55 3.08 -1.43 -2.91 114.38 118.99 1fjc h ARG 14 Ca -0.21 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1fjc h ARG 14 Cb 1.58 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.68 1fjc h ARG 14 CO 0.03 0.91 0.00 0.00 -1.07 0.00 0.00 179.97 179.84 1fjc h ALA 15 N 1.02 1.00 0.01 0.04 0.00 -1.73 -2.72 119.26 116.88 1fjc h ALA 15 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1fjc h ALA 15 Cb 1.29 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1fjc h ALA 15 CO 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 179.25 179.12 1fjc h ALA 16 N 2.06 0.02 -0.18 0.00 0.00 -1.70 -3.19 119.26 116.27 1fjc h ALA 16 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1fjc h ALA 16 Cb 0.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1fjc h ALA 16 CO 0.00 0.09 0.00 2.89 0.00 0.00 0.00 179.25 182.23 1fjc n ARG 17 N -4.50 2.21 -3.72 0.00 0.00 -1.05 -4.56 116.66 105.04 1fjc n ARG 17 Ca -0.10 -0.99 -0.18 0.00 -0.00 0.00 0.00 57.85 56.58 1fjc n ARG 17 Cb 0.52 -1.73 -0.17 0.00 -0.00 0.00 0.00 32.46 31.08 1fjc n ARG 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1fjc s THR 18 N -1.56 -0.07 0.38 8.89 2.01 -1.08 0.17 115.64 124.38 1fjc s THR 18 Ca 0.17 0.34 0.03 0.00 0.31 0.00 0.00 61.69 62.54 1fjc s THR 18 Cb 0.13 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.46 1fjc s THR 18 CO 0.05 0.15 0.10 -1.48 -0.69 0.00 0.00 174.62 172.75 1fjc s LEU 19 N 1.75 2.06 0.01 4.42 0.05 0.45 -4.21 118.68 123.22 1fjc s LEU 19 Ca -0.00 -1.55 0.06 0.00 0.05 0.00 0.00 54.13 52.68 1fjc s LEU 19 Cb -0.12 -0.23 -0.02 0.00 -2.05 0.00 0.00 46.19 43.76 1fjc s LEU 19 CO -0.03 -0.80 -0.18 -0.22 -0.55 0.00 0.00 176.35 174.57 1fjc s LEU 20 N -3.56 2.10 0.20 1.48 2.96 0.20 0.20 118.68 122.25 1fjc s LEU 20 Ca 0.28 -0.41 -0.09 0.00 -0.22 0.00 0.00 54.13 53.69 1fjc s LEU 20 Cb 0.05 -0.88 -0.07 0.00 0.50 0.00 0.00 46.19 45.79 1fjc s LEU 20 CO 0.14 0.17 0.51 0.00 -1.32 0.00 0.00 176.35 175.85 1fjc s ALA 21 N -0.61 3.61 0.26 5.97 0.00 0.77 0.16 121.76 131.92 1fjc s ALA 21 Ca 0.06 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.72 1fjc s ALA 21 Cb -0.08 -2.38 -0.00 0.00 0.00 0.00 0.00 23.12 20.66 1fjc s ALA 21 CO 0.00 0.53 0.31 1.17 0.00 0.00 0.00 175.76 177.78 1fjc n LYS 22 N 0.06 0.45 -1.31 0.00 4.81 0.25 -0.39 118.16 122.02 1fjc n LYS 22 Ca -0.01 -2.24 -0.12 0.00 -0.87 0.00 0.00 58.31 55.07 1fjc n LYS 22 Cb 0.52 2.03 -0.05 0.00 0.02 0.00 0.00 35.03 37.55 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 -1.85 -3.93 -2.07 3.14 5.15 -1.15 -0.92 115.26 113.63 1fjc n ASN 23 Ca 0.02 0.31 0.00 0.00 -0.60 0.00 0.00 54.58 54.31 1fjc n ASN 23 Cb 0.44 -3.42 0.00 0.00 -0.53 0.00 0.00 39.78 36.28 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 -1.66 0.00 -4.09 1.20 4.77 0.13 -4.63 117.00 112.71 1fjc n LEU 24 Ca -0.12 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.73 1fjc n LEU 24 Cb 0.46 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 1fjc n LEU 24 CO 0.19 0.00 0.06 -0.94 -1.33 0.00 0.00 177.39 175.37 1fjc s SER 25 N -1.59 0.44 0.27 -1.43 1.04 -1.26 -4.81 113.70 106.35 1fjc s SER 25 Ca 0.00 -1.29 0.25 0.00 0.48 0.00 0.00 55.95 55.40 1fjc s SER 25 Cb 0.00 0.57 0.90 0.00 0.10 0.00 0.00 66.02 67.59 1fjc s SER 25 CO 0.00 -1.14 1.75 -0.26 0.98 0.00 0.00 173.24 174.58 1fjc h PHE 26 N 2.27 0.00 0.08 5.02 -1.00 -1.92 -3.23 116.94 118.16 1fjc h PHE 26 Ca -0.29 0.00 -0.34 0.00 2.81 0.00 0.00 57.97 60.15 1fjc h PHE 26 Cb 1.25 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.78 1fjc h PHE 26 CO 0.88 0.00 -1.91 -1.71 -1.61 0.00 0.00 178.31 173.96 1fjc n ASN 27 N -2.36 2.05 -3.99 2.17 5.15 -1.26 -4.94 115.26 112.08 1fjc n ASN 27 Ca 0.04 0.23 -0.28 0.00 -0.60 0.00 0.00 54.58 53.96 1fjc n ASN 27 Cb 0.34 -0.84 0.11 0.00 -0.53 0.00 0.00 39.78 38.85 1fjc n ASN 27 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1fjc n ILE 28 N -3.70 0.00 -3.75 -1.44 -0.00 -1.22 -5.02 119.36 104.23 1fjc n ILE 28 Ca -0.34 -0.12 -0.00 0.00 -0.00 0.00 0.00 62.75 62.28 1fjc n ILE 28 Cb 0.96 -0.34 -0.00 0.00 -0.00 0.00 0.00 39.64 40.26 1fjc n ILE 28 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 1fjc s THR 29 N -2.10 0.00 0.37 1.39 -4.23 -1.26 -4.91 115.64 104.89 1fjc s THR 29 Ca 0.41 -0.39 0.12 0.00 -1.18 0.00 0.00 61.69 60.65 1fjc s THR 29 Cb -0.02 -2.30 0.34 0.00 1.34 0.00 0.00 72.50 71.86 1fjc s THR 29 CO 0.53 0.00 1.83 -0.08 -0.54 0.00 0.00 174.62 176.36 1fjc h GLU 30 N 2.00 0.57 0.02 3.99 4.81 -1.92 0.22 114.58 124.27 1fjc h GLU 30 Ca -0.27 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.94 1fjc h GLU 30 Cb 1.21 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1fjc h GLU 30 CO 0.29 0.38 -0.11 -0.44 -0.73 0.00 0.00 179.01 178.40 1fjc h ASP 31 N 0.58 -0.30 -0.81 1.04 5.19 -1.96 2.11 116.42 122.27 1fjc h ASP 31 Ca 0.51 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.96 1fjc h ASP 31 Cb 1.00 0.12 -0.04 0.00 0.18 0.00 0.00 39.33 40.60 1fjc h ASP 31 CO -0.25 -0.16 0.51 -0.08 -3.12 0.00 0.00 179.24 176.15 1fjc h GLU 32 N -0.19 1.09 -0.06 3.56 4.22 -1.41 0.58 114.58 122.36 1fjc h GLU 32 Ca 0.03 -0.08 -0.11 0.00 0.08 0.00 0.00 59.36 59.28 1fjc h GLU 32 Cb 0.23 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1fjc h GLU 32 CO -0.09 0.75 -0.45 -0.07 -2.18 0.00 0.00 179.01 176.96 1fjc h LEU 33 N 1.11 0.15 -0.73 1.64 4.07 -0.34 0.10 115.31 121.31 1fjc h LEU 33 Ca 0.29 -0.07 -0.05 0.00 0.08 0.00 0.00 57.88 58.14 1fjc h LEU 33 Cb -0.08 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 1fjc h LEU 33 CO -0.06 0.59 -0.25 0.50 -1.08 0.00 0.00 178.44 178.14 1fjc h LYS 34 N 0.12 0.00 0.07 1.13 3.11 0.51 0.23 116.57 121.73 1fjc h LYS 34 Ca 0.01 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.57 1fjc h LYS 34 Cb 0.85 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.06 1fjc h LYS 34 CO 0.07 0.25 -1.41 1.49 -2.81 0.00 0.00 179.45 177.03 1fjc h GLU 35 N 0.00 0.14 0.14 1.90 4.57 0.10 -3.26 114.58 118.17 1fjc h GLU 35 Ca -0.00 -0.24 -0.30 0.00 -1.18 0.00 0.00 59.36 57.64 1fjc h GLU 35 Cb 0.92 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1fjc h GLU 35 CO 0.03 0.97 -1.45 0.28 -1.18 0.00 0.00 179.01 177.67 1fjc h VAL 36 N 0.04 1.27 -2.50 0.32 2.07 -0.68 -3.36 116.25 113.40 1fjc h VAL 36 Ca -0.19 -2.85 -0.75 0.00 0.82 0.00 0.00 66.70 63.73 1fjc h VAL 36 Cb 1.95 2.86 -0.32 0.00 -1.52 0.00 0.00 31.29 34.26 1fjc h VAL 36 CO 0.14 0.84 0.48 0.49 0.02 0.00 0.00 177.57 179.55 1fjc n PHE 37 N -3.52 2.86 1.12 1.57 3.72 0.78 -4.78 117.46 119.21 1fjc n PHE 37 Ca -0.14 -2.99 0.01 0.00 -0.05 0.00 0.00 57.45 54.28 1fjc n PHE 37 Cb 1.05 -1.03 0.06 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.56 1.45 0.00 -1.08 -0.58 -1.23 -3.26 120.64 116.51 1fjc n GLU 38 Ca 0.34 -0.45 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 1fjc n GLU 38 Cb 0.33 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 1fjc n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1fjc n ASP 39 N -0.02 1.26 -5.02 1.62 2.03 -1.26 -5.04 116.55 110.11 1fjc n ASP 39 Ca 0.04 -1.30 -0.21 0.00 0.52 0.00 0.00 54.79 53.84 1fjc n ASP 39 Cb 0.26 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.72 1fjc n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fjc s ALA 40 N -0.30 4.71 -0.11 -1.67 0.00 -1.20 -4.23 121.76 118.96 1fjc s ALA 40 Ca 0.00 -2.07 -0.28 0.00 0.00 0.00 0.00 51.96 49.61 1fjc s ALA 40 Cb 0.00 -1.34 -0.24 0.00 0.00 0.00 0.00 23.12 21.54 1fjc s ALA 40 CO 0.00 -0.88 0.89 -0.07 0.00 0.00 0.00 175.76 175.70 1fjc h LEU 41 N 0.19 -0.00 -7.73 0.00 3.38 0.86 -3.44 115.31 108.57 1fjc h LEU 41 Ca -0.29 -0.84 0.16 0.00 0.09 0.00 0.00 57.88 57.00 1fjc h LEU 41 Cb 1.29 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.97 1fjc h LEU 41 CO 0.42 0.85 0.46 -1.61 0.09 0.00 0.00 178.44 178.65 1fjc s GLU 42 N -2.76 1.30 0.04 1.13 2.02 -1.01 -5.02 118.70 114.40 1fjc s GLU 42 Ca -0.18 -0.73 0.02 0.00 0.02 0.00 0.00 54.97 54.10 1fjc s GLU 42 Cb -0.02 0.43 -0.02 0.00 0.10 0.00 0.00 34.13 34.62 1fjc s GLU 42 CO 0.67 -0.60 -0.07 0.42 0.02 0.00 0.00 175.26 175.70 1fjc s ILE 43 N -3.22 0.49 0.35 -1.63 1.01 -1.26 -0.91 121.20 116.02 1fjc s ILE 43 Ca 0.13 -0.98 0.08 0.00 0.00 0.00 0.00 60.65 59.88 1fjc s ILE 43 Cb -0.02 -0.55 -0.07 0.00 0.01 0.00 0.00 42.46 41.83 1fjc s ILE 43 CO 0.03 -0.35 -0.06 -0.13 0.00 0.00 0.00 174.94 174.43 1fjc s ARG 44 N -1.44 1.80 0.18 2.79 0.52 0.44 -4.88 118.95 118.36 1fjc s ARG 44 Ca -0.09 -1.95 0.07 0.00 -0.52 0.00 0.00 55.73 53.24 1fjc s ARG 44 Cb -0.09 -1.58 -0.04 0.00 0.52 0.00 0.00 34.95 33.76 1fjc s ARG 44 CO 0.00 0.08 0.05 -1.17 0.02 0.00 0.00 175.30 174.28 1fjc s LEU 45 N -3.60 3.48 -0.08 2.53 0.20 -1.26 0.10 118.68 120.05 1fjc s LEU 45 Ca 0.33 -0.32 -0.03 0.00 0.69 0.00 0.00 54.13 54.79 1fjc s LEU 45 Cb 0.04 -2.10 0.04 0.00 -0.43 0.00 0.00 46.19 43.74 1fjc s LEU 45 CO 0.16 0.07 0.17 -0.69 -0.29 0.00 0.00 176.35 175.78 1fjc s VAL 46 N -1.79 -0.08 0.00 1.68 1.01 0.77 -4.60 120.40 117.39 1fjc s VAL 46 Ca 0.29 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1fjc s VAL 46 Cb -0.09 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.00 1fjc s VAL 46 CO 0.20 0.08 0.00 -1.20 0.00 0.00 0.00 175.10 174.18 1fjc n SER 47 N 4.37 0.00 -2.33 3.32 7.64 -1.26 -0.44 113.62 124.92 1fjc n SER 47 Ca -0.23 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.33 1fjc n SER 47 Cb 0.52 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.77 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 3.04 -0.87 1.43 7.27 0.30 -4.60 117.38 123.96 1fjc n GLN 48 Ca 0.00 -3.69 0.00 0.00 0.07 0.00 0.00 57.00 53.38 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 -2.59 0.00 1.69 2.03 -1.26 -4.32 116.55 111.33 1fjc n ASP 49 Ca 0.54 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.85 1fjc n ASP 49 Cb 0.70 -1.90 0.00 0.00 -0.72 0.00 0.00 41.12 39.19 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 -1.27 0.00 0.00 0.27 0.00 -1.26 -5.13 105.19 97.80 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 -1.29 1.61 3.00 -1.26 -5.12 118.16 115.10 1fjc n LYS 51 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 58.31 57.80 1fjc n LYS 51 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.96 1fjc n LYS 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1fjc n SER 52 N 0.00 0.04 -0.00 3.14 2.88 -1.26 -0.54 113.62 117.88 1fjc n SER 52 Ca 0.00 0.99 0.01 0.00 -1.33 0.00 0.00 58.87 58.54 1fjc n SER 52 Cb 0.00 -0.78 -0.02 0.00 -0.75 0.00 0.00 64.21 62.66 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 1.37 0.88 0.00 -1.46 0.00 -1.25 -4.65 118.16 113.05 1fjc n LYS 53 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 58.31 58.46 1fjc n LYS 53 Cb 0.06 -1.07 0.00 0.00 0.00 0.00 0.00 35.03 34.03 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 2.45 1.47 3.61 3.14 0.00 -1.22 -4.75 105.19 109.90 1fjc n GLY 54 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1fjc n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fjc s ILE 55 N -2.00 2.83 -0.18 -0.61 1.01 0.41 -0.69 121.20 121.97 1fjc s ILE 55 Ca 0.00 -2.01 -0.29 0.00 0.00 0.00 0.00 60.65 58.35 1fjc s ILE 55 Cb 0.00 -2.74 0.11 0.00 0.01 0.00 0.00 42.46 39.84 1fjc s ILE 55 CO 0.00 -0.27 0.94 0.00 0.00 0.00 0.00 174.94 175.61 1fjc s ALA 56 N -2.46 -1.91 0.34 9.38 0.00 0.47 0.27 121.76 127.85 1fjc s ALA 56 Ca 0.33 1.64 -0.04 0.00 0.00 0.00 0.00 51.96 53.89 1fjc s ALA 56 Cb -0.02 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.24 1fjc s ALA 56 CO 0.19 -0.30 0.60 0.71 0.00 0.00 0.00 175.76 176.96 1fjc s TYR 57 N -0.71 3.49 -0.17 0.00 2.02 0.29 0.27 117.35 122.55 1fjc s TYR 57 Ca -0.02 0.64 -0.06 0.00 -0.37 0.00 0.00 57.07 57.26 1fjc s TYR 57 Cb -0.02 -2.11 0.08 0.00 -0.40 0.00 0.00 41.96 39.51 1fjc s TYR 57 CO 0.01 0.08 0.35 0.42 -1.57 0.00 0.00 175.55 174.84 1fjc s ILE 58 N -2.24 -0.54 -0.11 2.71 1.01 0.52 0.17 121.20 122.72 1fjc s ILE 58 Ca 0.44 0.22 0.01 0.00 0.00 0.00 0.00 60.65 61.31 1fjc s ILE 58 Cb -0.10 -0.57 -0.02 0.00 0.01 0.00 0.00 42.46 41.78 1fjc s ILE 58 CO 0.33 0.09 -0.12 -1.61 0.00 0.00 0.00 174.94 173.63 1fjc s GLU 59 N 2.53 3.15 0.47 2.79 2.02 -0.08 0.17 118.70 129.74 1fjc s GLU 59 Ca -0.00 -0.67 0.07 0.00 0.02 0.00 0.00 54.97 54.38 1fjc s GLU 59 Cb -0.12 -2.58 -0.00 0.00 0.10 0.00 0.00 34.13 31.52 1fjc s GLU 59 CO -0.11 0.35 0.34 -0.06 0.02 0.00 0.00 175.26 175.80 1fjc s PHE 60 N 0.01 2.23 -0.88 1.61 0.40 0.45 0.13 117.98 121.93 1fjc s PHE 60 Ca -0.04 -0.66 0.26 0.00 -0.60 0.00 0.00 56.93 55.89 1fjc s PHE 60 Cb -0.14 -2.01 1.01 0.00 0.51 0.00 0.00 43.02 42.39 1fjc s PHE 60 CO 0.04 -0.19 1.80 1.17 0.70 0.00 0.00 175.22 178.74 1fjc n LYS 61 N -1.56 0.09 -3.56 0.44 0.00 -1.26 -4.44 118.16 107.86 1fjc n LYS 61 Ca 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 58.31 58.38 1fjc n LYS 61 Cb 0.64 -1.61 -0.03 0.00 0.00 0.00 0.00 35.03 34.02 1fjc n LYS 61 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1fjc s SER 62 N -3.52 -0.25 0.25 3.14 1.04 -1.26 -4.99 113.70 108.11 1fjc s SER 62 Ca 0.11 0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.57 1fjc s SER 62 Cb 0.15 0.24 0.39 0.00 0.10 0.00 0.00 66.02 66.90 1fjc s SER 62 CO 0.50 -0.37 1.82 -0.33 0.98 0.00 0.00 173.24 175.84 1fjc h GLU 63 N 2.10 0.81 -0.49 4.02 5.08 -1.86 0.59 114.58 124.84 1fjc h GLU 63 Ca -0.15 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1fjc h GLU 63 Cb 1.19 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1fjc h GLU 63 CO 0.27 0.54 0.33 0.00 -1.00 0.00 0.00 179.01 179.14 1fjc h ALA 64 N 1.45 1.71 0.32 3.43 0.00 -1.95 1.55 119.26 125.77 1fjc h ALA 64 Ca 0.40 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1fjc h ALA 64 Cb 0.33 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1fjc h ALA 64 CO -0.23 0.24 -0.15 0.22 0.00 0.00 0.00 179.25 179.33 1fjc h ASP 65 N 0.60 -0.37 -0.03 0.00 1.82 -1.34 0.82 116.42 117.93 1fjc h ASP 65 Ca 0.19 -0.07 0.01 0.00 -0.39 0.00 0.00 57.03 56.76 1fjc h ASP 65 Cb 0.02 0.09 -0.00 0.00 0.68 0.00 0.00 39.33 40.12 1fjc h ASP 65 CO -0.05 0.10 0.02 0.00 -1.61 0.00 0.00 179.24 177.71 1fjc h ALA 66 N -0.93 1.78 0.13 -0.78 0.00 -0.83 -0.16 119.26 118.47 1fjc h ALA 66 Ca -0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1fjc h ALA 66 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1fjc h ALA 66 CO 0.07 -0.04 -0.06 0.93 0.00 0.00 0.00 179.25 180.16 1fjc h GLU 67 N 0.00 -0.16 -0.78 0.00 4.39 0.23 0.55 114.58 118.80 1fjc h GLU 67 Ca 0.01 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.80 1fjc h GLU 67 Cb 0.06 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.69 1fjc h GLU 67 CO -0.00 0.23 0.51 -0.22 -1.16 0.00 0.00 179.01 178.37 1fjc h LYS 68 N -0.95 0.77 0.04 2.33 3.11 -0.58 0.30 116.57 121.59 1fjc h LYS 68 Ca -0.02 -0.05 -0.00 0.00 -2.81 0.00 0.00 60.65 57.77 1fjc h LYS 68 Cb 0.47 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.53 1fjc h LYS 68 CO 0.03 0.51 -0.02 -0.91 -2.81 0.00 0.00 179.45 176.25 1fjc h ASN 69 N 0.79 -0.05 -0.07 4.20 -0.26 -1.08 -0.26 115.58 118.85 1fjc h ASN 69 Ca 0.35 -0.61 0.02 0.00 -0.56 0.00 0.00 56.30 55.49 1fjc h ASN 69 Cb 0.32 0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 37.59 1fjc h ASN 69 CO -0.13 0.70 0.15 0.25 -1.06 0.00 0.00 177.43 177.34 1fjc h LEU 70 N -0.90 0.00 0.01 1.61 5.85 0.46 2.17 115.31 124.51 1fjc h LEU 70 Ca -0.01 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.49 1fjc h LEU 70 Cb 0.66 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1fjc h LEU 70 CO 0.01 0.00 -1.20 -0.33 -0.34 0.00 0.00 178.44 176.58 1fjc h GLU 71 N 0.00 0.03 0.00 1.25 5.08 -0.40 -2.90 114.58 117.64 1fjc h GLU 71 Ca 0.03 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1fjc h GLU 71 Cb 0.34 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1fjc h GLU 71 CO -0.00 1.02 -0.19 1.49 -1.00 0.00 0.00 179.01 180.33 1fjc h GLU 72 N -0.90 0.00 0.00 2.33 4.81 -0.51 -3.29 114.58 117.02 1fjc h GLU 72 Ca -0.32 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.65 1fjc h GLU 72 Cb 1.35 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.68 1fjc h GLU 72 CO -0.16 0.09 -1.67 1.63 -0.73 0.00 0.00 179.01 178.17 1fjc n LYS 73 N -3.08 0.63 -1.35 1.92 4.76 0.73 -4.60 118.16 117.17 1fjc n LYS 73 Ca 0.03 0.25 -0.22 0.00 -2.87 0.00 0.00 58.31 55.50 1fjc n LYS 73 Cb 0.57 -1.78 -0.20 0.00 -1.84 0.00 0.00 35.03 31.79 1fjc n LYS 73 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1fjc n GLN 74 N -2.97 0.00 0.00 1.97 -0.06 -1.10 -0.32 117.38 114.90 1fjc n GLN 74 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.84 1fjc n GLN 74 Cb 0.99 -0.96 0.00 0.00 -4.06 0.00 0.00 30.24 26.21 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 5.06 2.46 1.96 1.69 0.00 -0.17 -4.82 105.19 111.37 1fjc n GLY 75 Ca 0.61 -0.77 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.58 -2.71 4.61 0.00 0.56 -1.12 120.51 121.27 1fjc n ALA 76 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1fjc n ALA 76 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.99 -0.53 -4.14 0.00 4.07 -1.26 -4.91 120.64 111.89 1fjc n GLU 77 Ca -0.03 0.79 -0.09 0.00 -0.06 0.00 0.00 57.16 57.77 1fjc n GLU 77 Cb 0.34 -0.77 -0.10 0.00 -0.06 0.00 0.00 31.44 30.85 1fjc n GLU 77 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1fjc s ILE 78 N -0.54 0.14 -0.57 6.31 1.01 0.73 -4.80 121.20 123.49 1fjc s ILE 78 Ca 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 60.65 58.76 1fjc s ILE 78 Cb 0.00 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.54 1fjc s ILE 78 CO 0.00 -0.59 0.00 -0.67 0.00 0.00 0.00 174.94 173.68 1fjc n ASP 79 N -0.05 -2.36 0.00 3.58 2.03 -1.26 0.29 116.55 118.78 1fjc n ASP 79 Ca -0.07 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1fjc n ASP 79 Cb 0.63 -2.14 0.00 0.00 -0.72 0.00 0.00 41.12 38.90 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 -0.56 0.56 2.59 0.27 0.00 -1.26 -4.95 105.19 101.85 1fjc n GLY 80 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.96 0.48 -3.14 1.61 1.74 0.85 -5.11 116.66 111.14 1fjc n ARG 81 Ca 0.00 -2.30 -0.39 0.00 -0.77 0.00 0.00 57.85 54.38 1fjc n ARG 81 Cb 0.06 2.11 -0.05 0.00 -1.02 0.00 0.00 32.46 33.56 1fjc n ARG 81 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1fjc s SER 82 N -2.73 6.86 0.52 0.55 0.01 -1.26 0.26 113.70 117.92 1fjc s SER 82 Ca 0.25 1.03 -0.18 0.00 1.31 0.00 0.00 55.95 58.36 1fjc s SER 82 Cb -0.00 -2.37 -0.07 0.00 0.21 0.00 0.00 66.02 63.79 1fjc s SER 82 CO 0.18 -0.10 1.03 0.54 0.41 0.00 0.00 173.24 175.31 1fjc s VAL 83 N 0.87 3.90 -0.02 3.43 0.11 -0.28 -4.73 120.40 123.69 1fjc s VAL 83 Ca 0.33 1.05 -0.10 0.00 -2.93 0.00 0.00 61.98 60.34 1fjc s VAL 83 Cb -0.17 -3.46 -0.05 0.00 -1.53 0.00 0.00 36.38 31.17 1fjc s VAL 83 CO 0.15 -0.38 0.30 -0.44 -3.33 0.00 0.00 175.10 171.39 1fjc s SER 84 N -2.39 6.59 -0.09 3.54 0.01 -0.10 -1.00 113.70 120.27 1fjc s SER 84 Ca 0.65 0.70 0.04 0.00 1.31 0.00 0.00 55.95 58.65 1fjc s SER 84 Cb -0.15 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1fjc s SER 84 CO 0.27 0.31 -0.22 -0.76 0.41 0.00 0.00 173.24 173.24 1fjc s LEU 85 N -1.37 2.01 -0.42 2.44 1.43 -1.26 0.84 118.68 122.35 1fjc s LEU 85 Ca 0.24 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1fjc s LEU 85 Cb -0.14 -1.30 0.11 0.00 0.03 0.00 0.00 46.19 44.89 1fjc s LEU 85 CO 0.12 0.15 0.22 -0.31 0.23 0.00 0.00 176.35 176.77 1fjc s TYR 86 N 0.34 3.57 0.62 0.29 1.51 0.43 -4.91 117.35 119.20 1fjc s TYR 86 Ca -0.16 -2.36 0.26 0.00 -1.01 0.00 0.00 57.07 53.79 1fjc s TYR 86 Cb -0.17 -3.26 1.26 0.00 -0.11 0.00 0.00 41.96 39.68 1fjc s TYR 86 CO 0.07 -0.97 1.69 -0.92 -1.11 0.00 0.00 175.55 174.31 1fjc h TYR 87 N 8.08 0.00 -6.63 2.71 3.20 -1.86 0.57 116.97 123.04 1fjc h TYR 87 Ca -0.14 0.00 -0.46 0.00 3.14 0.00 0.00 58.73 61.27 1fjc h TYR 87 Cb 1.05 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.32 1fjc h TYR 87 CO 0.56 0.00 -1.08 0.25 -1.64 0.00 0.00 178.16 176.25 1fjc n THR 88 N -3.34 -3.15 -0.22 1.81 -2.24 -1.26 -3.84 114.28 102.05 1fjc n THR 88 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1fjc n THR 88 Cb 0.83 -2.82 0.00 0.00 -2.10 0.00 0.00 70.33 66.24 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 -1.35 -0.51 2.78 3.38 0.00 -1.22 -4.32 105.19 103.95 1fjc n GLY 89 Ca -0.27 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.13 -1.56 0.00 1.61 2.13 -1.26 -4.62 120.64 116.81 1fjc n GLU 90 Ca 0.00 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.22 1fjc n GLU 90 Cb 0.06 -4.57 0.00 0.00 0.27 0.00 0.00 31.44 27.19 1fjc n GLU 90 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1fjc n LYS 91 N 0.09 0.00 -1.14 5.31 0.00 -1.26 -5.15 118.16 116.01 1fjc n LYS 91 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 58.31 58.44 1fjc n LYS 91 Cb 0.39 -0.24 -0.05 0.00 0.00 0.00 0.00 35.03 35.14 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 1.91 -1.75 7.00 3.14 0.00 -1.26 -4.81 105.19 109.41 1fjc n GLY 92 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.54 2.55 0.36 -0.02 0.00 -1.26 -4.84 105.19 98.45 1fjc n GLY 93 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 -2.66 2.61 -1.04 -1.26 -5.12 114.28 106.81 1fjc n THR 94 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 1fjc n THR 94 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 1fjc n THR 94 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1fjc n ARG 95 N -1.27 -4.21 0.00 -2.82 3.00 -1.26 -5.16 116.66 104.94 1fjc n ARG 95 Ca 0.00 3.22 0.00 0.00 -0.00 0.00 0.00 57.85 61.07 1fjc n ARG 95 Cb 0.00 -4.92 0.00 0.00 0.00 0.00 0.00 32.46 27.54 1fjc n ARG 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04