#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 -4.95 7.33 -0.00 -1.26 -5.16 115.22 111.18 1fjc n HIS 2 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 1fjc n HIS 2 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 29.83 1fjc n HIS 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1fjc s MET 3 N -2.00 1.61 -0.10 -1.40 0.00 -1.26 -5.13 119.30 111.02 1fjc s MET 3 Ca 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 55.69 55.00 1fjc s MET 3 Cb 0.00 -1.54 0.02 0.00 0.00 0.00 0.00 34.83 33.31 1fjc s MET 3 CO 0.00 0.41 -0.10 -1.17 0.00 0.00 0.00 175.02 174.16 1fjc s LEU 4 N -0.43 1.39 0.00 0.18 1.98 -1.26 -5.06 118.68 115.49 1fjc s LEU 4 Ca 0.07 -0.31 0.00 0.00 -2.89 0.00 0.00 54.13 51.00 1fjc s LEU 4 Cb -0.08 -0.86 0.00 0.00 0.66 0.00 0.00 46.19 45.92 1fjc s LEU 4 CO -0.01 -0.06 0.00 -0.62 -1.89 0.00 0.00 176.35 173.78 1fjc n GLU 5 N 4.50 0.00 -0.48 1.98 1.02 -1.26 -5.04 120.64 121.36 1fjc n GLU 5 Ca -0.17 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.77 1fjc n GLU 5 Cb 0.51 -0.02 0.17 0.00 -0.02 0.00 0.00 31.44 32.08 1fjc n GLU 5 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1fjc n ASP 6 N -1.41 -3.17 -0.68 1.62 9.92 -1.26 -4.78 116.55 116.80 1fjc n ASP 6 Ca 0.00 -0.46 0.01 0.00 -0.53 0.00 0.00 54.79 53.81 1fjc n ASP 6 Cb 0.00 -0.81 0.05 0.00 -0.64 0.00 0.00 41.12 39.72 1fjc n ASP 6 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1fjc n PRO 7 N -2.42 1.49 0.00 -0.24 -0.04 -1.26 -4.68 135.00 127.86 1fjc n PRO 7 Ca 0.07 -0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.13 1fjc n PRO 7 Cb 0.39 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.06 0.00 -3.07 0.00 -1.04 -1.26 -4.82 114.28 103.03 1fjc n THR 9 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 1fjc n THR 9 Cb 0.00 -0.46 -0.02 0.00 -1.82 0.00 0.00 70.33 68.04 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 -0.27 -0.39 -0.11 8.00 2.88 -1.26 -4.96 113.62 117.51 1fjc n SER 10 Ca 0.00 -3.02 -0.11 0.00 -1.33 0.00 0.00 58.87 54.41 1fjc n SER 10 Cb 0.14 0.06 -0.03 0.00 -0.75 0.00 0.00 64.21 63.63 1fjc n SER 10 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1fjc h LYS 11 N 3.54 0.58 0.00 -1.46 1.79 -2.01 -2.03 116.57 116.99 1fjc h LYS 11 Ca 0.03 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 1fjc h LYS 11 Cb 0.96 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1fjc h LYS 11 CO 0.41 0.74 0.00 0.36 -1.08 0.00 0.00 179.45 179.88 1fjc n LYS 12 N -4.51 0.42 -0.07 3.15 -0.00 -1.26 -2.83 118.16 113.06 1fjc n LYS 12 Ca -0.02 0.06 -0.05 0.00 -0.00 0.00 0.00 58.31 58.30 1fjc n LYS 12 Cb 0.29 -1.50 0.15 0.00 -0.00 0.00 0.00 35.03 33.97 1fjc n LYS 12 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 1fjc h VAL 13 N 0.00 1.25 -0.87 0.58 3.04 -1.73 -2.84 116.25 115.69 1fjc h VAL 13 Ca 0.00 -1.15 0.22 0.00 -1.01 0.00 0.00 66.70 64.76 1fjc h VAL 13 Cb 0.13 1.09 -0.14 0.00 -2.01 0.00 0.00 31.29 30.37 1fjc h VAL 13 CO 0.00 0.39 0.25 0.08 -1.01 0.00 0.00 177.57 177.27 1fjc h ARG 14 N 0.64 0.23 -0.50 4.17 0.11 -1.64 1.06 114.38 118.45 1fjc h ARG 14 Ca 0.11 -0.01 0.14 0.00 0.10 0.00 0.00 59.98 60.32 1fjc h ARG 14 Cb 0.58 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.59 1fjc h ARG 14 CO 0.04 0.15 0.74 0.00 0.10 0.00 0.00 179.97 180.99 1fjc h ALA 15 N 1.76 2.25 0.11 0.08 0.00 -1.74 0.31 119.26 122.02 1fjc h ALA 15 Ca 0.54 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.43 1fjc h ALA 15 Cb 1.06 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1fjc h ALA 15 CO -0.63 -0.99 -0.05 0.00 0.00 0.00 0.00 179.25 177.58 1fjc h ALA 16 N 0.99 -0.15 0.00 0.00 0.00 0.10 -1.68 119.26 118.53 1fjc h ALA 16 Ca 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1fjc h ALA 16 Cb 1.71 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1fjc h ALA 16 CO -0.00 -0.50 0.00 2.89 0.00 0.00 0.00 179.25 181.64 1fjc n ARG 17 N -5.08 0.01 -3.60 0.00 1.85 0.09 -4.10 116.66 105.83 1fjc n ARG 17 Ca -0.08 0.46 -0.40 0.00 -1.00 0.00 0.00 57.85 56.83 1fjc n ARG 17 Cb 0.15 -1.52 -0.09 0.00 -1.05 0.00 0.00 32.46 29.94 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 -3.03 4.05 0.41 8.89 2.01 -0.63 0.28 115.64 127.63 1fjc s THR 18 Ca 0.01 -1.97 0.07 0.00 0.31 0.00 0.00 61.69 60.12 1fjc s THR 18 Cb 0.02 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 1fjc s THR 18 CO 0.06 -0.78 0.24 -1.48 -0.69 0.00 0.00 174.62 171.97 1fjc s LEU 19 N 1.15 3.21 -0.24 4.42 2.34 0.75 -2.98 118.68 127.34 1fjc s LEU 19 Ca 0.08 -0.97 -0.06 0.00 0.06 0.00 0.00 54.13 53.24 1fjc s LEU 19 Cb -0.24 -1.64 -0.02 0.00 -0.56 0.00 0.00 46.19 43.72 1fjc s LEU 19 CO -0.02 -0.57 0.04 -0.22 -1.06 0.00 0.00 176.35 174.51 1fjc s LEU 20 N -3.98 3.29 0.35 1.48 2.96 -0.21 -0.53 118.68 122.05 1fjc s LEU 20 Ca 0.43 -0.25 -0.25 0.00 -0.22 0.00 0.00 54.13 53.84 1fjc s LEU 20 Cb 0.01 -1.87 -0.10 0.00 0.50 0.00 0.00 46.19 44.74 1fjc s LEU 20 CO 0.24 -0.02 0.98 0.00 -1.32 0.00 0.00 176.35 176.24 1fjc s ALA 21 N 1.50 3.17 0.36 5.97 0.00 0.72 0.30 121.76 133.78 1fjc s ALA 21 Ca 0.06 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1fjc s ALA 21 Cb -0.15 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 1fjc s ALA 21 CO 0.02 0.04 0.46 0.21 0.00 0.00 0.00 175.76 176.48 1fjc s LYS 22 N -2.24 1.96 -0.83 0.00 2.36 0.72 -0.11 119.74 121.61 1fjc s LYS 22 Ca 0.53 -1.87 0.00 0.00 -2.55 0.00 0.00 55.97 52.08 1fjc s LYS 22 Cb -0.20 0.43 0.00 0.00 -1.05 0.00 0.00 37.83 37.01 1fjc s LYS 22 CO 0.25 -0.80 0.00 -1.71 1.55 0.00 0.00 175.35 174.64 1fjc n ASN 23 N -1.61 -5.76 -2.85 1.43 5.15 -0.73 0.15 115.26 111.04 1fjc n ASN 23 Ca 0.02 0.19 0.00 0.00 -0.60 0.00 0.00 54.58 54.20 1fjc n ASN 23 Cb 0.61 -3.95 0.00 0.00 -0.53 0.00 0.00 39.78 35.91 1fjc n ASN 23 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1fjc n LEU 24 N -0.89 0.00 0.00 1.20 4.77 -0.26 -4.65 117.00 117.17 1fjc n LEU 24 Ca -0.08 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.71 1fjc n LEU 24 Cb 0.56 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.60 1fjc n LEU 24 CO 0.12 -1.15 -0.13 -0.24 -1.33 0.00 0.00 177.39 174.66 1fjc n SER 25 N -2.69 1.84 0.05 -1.43 2.88 -1.26 -4.63 113.62 108.37 1fjc n SER 25 Ca 0.00 -2.49 0.13 0.00 -1.33 0.00 0.00 58.87 55.18 1fjc n SER 25 Cb 0.00 0.52 0.32 0.00 -0.75 0.00 0.00 64.21 64.30 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 -0.71 0.45 -0.13 0.66 3.01 -1.26 -4.07 117.46 115.41 1fjc n PHE 26 Ca -0.08 0.13 -0.19 0.00 1.01 0.00 0.00 57.45 58.32 1fjc n PHE 26 Cb 0.42 -0.62 -0.11 0.00 -0.01 0.00 0.00 39.48 39.16 1fjc n PHE 26 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1fjc n ASN 27 N -1.93 2.01 -4.15 4.37 5.15 -1.26 -4.99 115.26 114.46 1fjc n ASN 27 Ca 0.05 -0.06 -0.35 0.00 -0.60 0.00 0.00 54.58 53.61 1fjc n ASN 27 Cb 0.40 -0.46 0.10 0.00 -0.53 0.00 0.00 39.78 39.28 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 -3.40 0.00 -3.84 -1.44 3.06 -1.26 -5.01 119.36 107.48 1fjc n ILE 28 Ca -0.46 -0.20 -0.05 0.00 -2.50 0.00 0.00 62.75 59.54 1fjc n ILE 28 Cb 0.96 -0.30 0.01 0.00 0.54 0.00 0.00 39.64 40.85 1fjc n ILE 28 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1fjc s THR 29 N -2.13 0.00 0.50 9.51 -4.23 -1.26 -4.90 115.64 113.13 1fjc s THR 29 Ca 0.47 -0.73 0.29 0.00 -1.18 0.00 0.00 61.69 60.54 1fjc s THR 29 Cb -0.05 -2.64 0.48 0.00 1.34 0.00 0.00 72.50 71.62 1fjc s THR 29 CO 0.68 0.00 1.84 -0.08 -0.54 0.00 0.00 174.62 176.52 1fjc h GLU 30 N 2.00 0.12 0.71 3.99 4.22 -1.91 0.29 114.58 123.99 1fjc h GLU 30 Ca -0.27 -0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.12 1fjc h GLU 30 Cb 1.23 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.46 1fjc h GLU 30 CO 0.34 0.08 -0.34 -0.44 -2.18 0.00 0.00 179.01 176.47 1fjc h ASP 31 N 0.12 -0.81 -0.04 1.04 5.19 -1.94 1.47 116.42 121.45 1fjc h ASP 31 Ca 0.50 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.91 1fjc h ASP 31 Cb 1.78 0.21 -0.01 0.00 0.18 0.00 0.00 39.33 41.49 1fjc h ASP 31 CO -0.08 -0.57 -0.03 -0.33 -3.12 0.00 0.00 179.24 175.11 1fjc h GLU 32 N -0.96 0.20 -0.20 3.56 3.07 -1.46 0.45 114.58 119.24 1fjc h GLU 32 Ca -0.10 -0.03 -0.19 0.00 -0.50 0.00 0.00 59.36 58.54 1fjc h GLU 32 Cb 0.73 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 28.61 1fjc h GLU 32 CO 0.16 0.25 -0.62 -0.07 -1.40 0.00 0.00 179.01 177.33 1fjc h LEU 33 N 0.20 0.89 -1.18 1.33 3.38 -0.48 0.56 115.31 120.02 1fjc h LEU 33 Ca 0.05 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.41 1fjc h LEU 33 Cb 0.19 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1fjc h LEU 33 CO 0.01 1.32 -0.12 0.50 0.09 0.00 0.00 178.44 180.24 1fjc h LYS 34 N 0.51 0.00 0.00 1.13 3.64 0.30 -0.11 116.57 122.04 1fjc h LYS 34 Ca -0.02 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 1fjc h LYS 34 Cb 1.24 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 1fjc h LYS 34 CO 0.13 0.12 -1.12 1.49 -2.27 0.00 0.00 179.45 177.80 1fjc h GLU 35 N 0.00 0.00 0.21 1.90 4.81 0.24 -0.93 114.58 120.81 1fjc h GLU 35 Ca -0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 1fjc h GLU 35 Cb 0.67 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.07 1fjc h GLU 35 CO 0.02 0.26 -1.52 0.28 -0.73 0.00 0.00 179.01 177.32 1fjc h VAL 36 N 0.00 1.16 0.15 0.32 2.07 0.65 -3.35 116.25 117.25 1fjc h VAL 36 Ca -0.10 -2.59 -0.32 0.00 0.82 0.00 0.00 66.70 64.51 1fjc h VAL 36 Cb 1.41 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 34.12 1fjc h VAL 36 CO 0.04 0.81 -1.59 -0.26 0.02 0.00 0.00 177.57 176.59 1fjc h PHE 37 N 0.05 0.59 -4.21 1.57 0.04 -1.17 -3.46 116.94 110.35 1fjc h PHE 37 Ca -0.28 -0.43 0.00 0.00 2.80 0.00 0.00 57.97 60.06 1fjc h PHE 37 Cb 2.07 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 40.19 1fjc h PHE 37 CO 0.13 1.49 0.00 -1.91 -0.60 0.00 0.00 178.31 177.42 1fjc n GLU 38 N -3.52 -2.60 0.00 1.51 2.13 -0.35 -4.24 120.64 113.57 1fjc n GLU 38 Ca -0.19 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.63 1fjc n GLU 38 Cb 1.06 -3.63 0.00 0.00 0.27 0.00 0.00 31.44 29.14 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 -1.19 0.00 -3.74 4.31 -0.08 -1.26 -5.09 116.55 109.49 1fjc n ASP 39 Ca 0.00 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.98 1fjc n ASP 39 Cb 0.40 0.00 0.25 0.00 2.34 0.00 0.00 41.12 44.12 1fjc n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fjc s ALA 40 N -1.00 0.12 -0.14 -1.67 0.00 -1.26 -4.37 121.76 113.44 1fjc s ALA 40 Ca 0.00 -0.86 -0.27 0.00 0.00 0.00 0.00 51.96 50.84 1fjc s ALA 40 Cb 0.00 -2.93 -0.24 0.00 0.00 0.00 0.00 23.12 19.95 1fjc s ALA 40 CO 0.00 -3.92 0.69 -0.07 0.00 0.00 0.00 175.76 172.46 1fjc h LEU 41 N -2.85 0.00 -7.38 0.00 3.38 -0.21 -3.44 115.31 104.81 1fjc h LEU 41 Ca -0.45 -0.91 0.01 0.00 0.09 0.00 0.00 57.88 56.62 1fjc h LEU 41 Cb 1.31 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.97 1fjc h LEU 41 CO 0.34 1.00 0.20 -1.61 0.09 0.00 0.00 178.44 178.45 1fjc s GLU 42 N -2.19 1.45 0.04 1.13 2.02 -0.92 -5.03 118.70 115.20 1fjc s GLU 42 Ca -0.18 -0.67 0.05 0.00 0.02 0.00 0.00 54.97 54.18 1fjc s GLU 42 Cb -0.02 0.59 -0.02 0.00 0.10 0.00 0.00 34.13 34.78 1fjc s GLU 42 CO 0.64 -0.65 -0.15 0.42 0.02 0.00 0.00 175.26 175.55 1fjc s ILE 43 N -3.82 1.19 0.26 -1.63 1.09 -1.26 -1.12 121.20 115.91 1fjc s ILE 43 Ca 0.05 -1.02 0.11 0.00 -1.10 0.00 0.00 60.65 58.69 1fjc s ILE 43 Cb -0.03 -1.07 -0.05 0.00 -1.06 0.00 0.00 42.46 40.25 1fjc s ILE 43 CO -0.06 0.04 -0.19 -0.60 -0.10 0.00 0.00 174.94 174.03 1fjc s ARG 44 N -1.13 1.59 0.32 2.79 3.52 0.74 -4.76 118.95 122.03 1fjc s ARG 44 Ca 0.03 -1.70 0.07 0.00 -0.13 0.00 0.00 55.73 53.99 1fjc s ARG 44 Cb -0.08 -1.65 -0.02 0.00 -1.56 0.00 0.00 34.95 31.64 1fjc s ARG 44 CO 0.01 0.31 0.34 -1.17 -0.81 0.00 0.00 175.30 173.98 1fjc s LEU 45 N -3.37 3.76 -0.22 -0.88 2.96 -1.26 0.80 118.68 120.47 1fjc s LEU 45 Ca 0.27 -0.36 -0.12 0.00 -0.22 0.00 0.00 54.13 53.70 1fjc s LEU 45 Cb -0.05 -2.41 0.07 0.00 0.50 0.00 0.00 46.19 44.30 1fjc s LEU 45 CO 0.13 -0.34 0.53 -0.69 -1.32 0.00 0.00 176.35 174.66 1fjc s VAL 46 N -2.24 -0.02 0.00 1.68 1.01 0.82 -4.50 120.40 117.14 1fjc s VAL 46 Ca 0.41 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1fjc s VAL 46 Cb -0.07 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.53 1fjc s VAL 46 CO 0.28 0.02 0.00 -1.54 0.00 0.00 0.00 175.10 173.86 1fjc n SER 47 N 4.30 0.43 -1.75 3.32 3.41 -1.26 -0.35 113.62 121.72 1fjc n SER 47 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 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 0.00 -0.16 0.00 0.00 175.04 174.88 1fjc n GLN 48 N 0.00 1.15 -0.03 4.33 6.02 0.02 -4.69 117.38 124.18 1fjc n GLN 48 Ca 0.00 0.00 0.23 0.00 -0.01 0.00 0.00 57.00 57.22 1fjc n GLN 48 Cb 0.00 0.00 0.57 0.00 1.02 0.00 0.00 30.24 31.83 1fjc n GLN 48 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1fjc h ASP 49 N 0.00 0.00 0.00 1.08 3.04 -2.02 -3.28 116.42 115.24 1fjc h ASP 49 Ca 0.00 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.73 1fjc h ASP 49 Cb 0.00 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 38.21 1fjc h ASP 49 CO 0.00 0.00 0.28 0.61 -2.04 0.00 0.00 179.24 178.09 1fjc n GLY 50 N -1.58 -1.10 3.37 7.15 0.00 -1.26 -5.13 105.19 106.63 1fjc n GLY 50 Ca 0.14 0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.21 1fjc n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fjc s LYS 51 N 0.00 0.41 -0.09 1.61 1.02 -1.24 -5.12 119.74 116.33 1fjc s LYS 51 Ca 0.01 0.91 -0.32 0.00 0.02 0.00 0.00 55.97 56.59 1fjc s LYS 51 Cb 0.01 0.54 -0.15 0.00 -0.52 0.00 0.00 37.83 37.70 1fjc s LYS 51 CO -0.01 -0.26 0.92 0.45 -0.92 0.00 0.00 175.35 175.53 1fjc n SER 52 N 5.28 0.21 -0.00 2.83 2.88 -1.26 -0.80 113.62 122.76 1fjc n SER 52 Ca -0.08 0.90 0.02 0.00 -1.33 0.00 0.00 58.87 58.38 1fjc n SER 52 Cb 0.51 -0.70 -0.03 0.00 -0.75 0.00 0.00 64.21 63.24 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 1.60 2.03 -0.10 -1.46 4.81 -1.26 -4.67 118.16 119.12 1fjc n LYS 53 Ca 0.17 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1fjc n LYS 53 Cb 0.04 -0.97 0.00 0.00 0.02 0.00 0.00 35.03 34.12 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 1.84 1.79 3.59 3.14 0.00 -1.24 -4.75 105.19 109.57 1fjc n GLY 54 Ca -0.00 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 2.94 -0.10 -0.61 -1.09 0.53 -1.10 121.20 119.76 1fjc s ILE 55 Ca 0.00 -2.06 -0.30 0.00 -2.23 0.00 0.00 60.65 56.05 1fjc s ILE 55 Cb 0.00 -2.68 0.10 0.00 -1.58 0.00 0.00 42.46 38.30 1fjc s ILE 55 CO 0.00 -0.33 0.85 0.00 -1.23 0.00 0.00 174.94 174.23 1fjc s ALA 56 N -2.43 -1.85 -0.25 9.38 0.00 0.84 0.29 121.76 127.73 1fjc s ALA 56 Ca 0.32 1.42 -0.10 0.00 0.00 0.00 0.00 51.96 53.60 1fjc s ALA 56 Cb -0.04 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 1fjc s ALA 56 CO 0.18 -0.37 0.15 0.71 0.00 0.00 0.00 175.76 176.44 1fjc s TYR 57 N -1.31 3.25 -0.16 0.00 2.02 0.24 0.26 117.35 121.65 1fjc s TYR 57 Ca -0.05 0.09 -0.01 0.00 -0.37 0.00 0.00 57.07 56.74 1fjc s TYR 57 Cb -0.00 -2.29 -0.01 0.00 -0.40 0.00 0.00 41.96 39.26 1fjc s TYR 57 CO 0.04 -0.06 -0.13 0.42 -1.57 0.00 0.00 175.55 174.25 1fjc s ILE 58 N 1.33 2.90 -0.27 2.71 1.01 0.31 0.26 121.20 129.45 1fjc s ILE 58 Ca 0.07 -0.69 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 1fjc s ILE 58 Cb -0.15 -2.24 0.04 0.00 0.01 0.00 0.00 42.46 40.13 1fjc s ILE 58 CO 0.06 0.51 -0.05 -1.83 0.00 0.00 0.00 174.94 173.63 1fjc s GLU 59 N 0.75 2.60 0.75 2.79 1.03 -0.28 -0.18 118.70 126.16 1fjc s GLU 59 Ca -0.05 -1.14 -0.02 0.00 0.03 0.00 0.00 54.97 53.79 1fjc s GLU 59 Cb -0.15 -3.04 0.14 0.00 -0.80 0.00 0.00 34.13 30.27 1fjc s GLU 59 CO 0.01 -0.50 1.03 -0.06 -1.33 0.00 0.00 175.26 174.41 1fjc s PHE 60 N 1.27 1.57 -0.50 4.83 0.40 0.81 0.44 117.98 126.79 1fjc s PHE 60 Ca -0.03 -0.22 0.24 0.00 -0.60 0.00 0.00 56.93 56.32 1fjc s PHE 60 Cb -0.18 -3.10 0.52 0.00 0.51 0.00 0.00 43.02 40.77 1fjc s PHE 60 CO -0.03 -1.81 1.67 -0.22 0.70 0.00 0.00 175.22 175.53 1fjc h LYS 61 N -0.64 0.00 -2.38 0.44 3.64 -1.84 -3.39 116.57 112.39 1fjc h LYS 61 Ca -0.37 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.06 1fjc h LYS 61 Cb 1.26 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.93 1fjc h LYS 61 CO 0.40 0.00 0.39 -1.12 -2.27 0.00 0.00 179.45 176.85 1fjc s SER 62 N -5.68 -0.45 0.35 4.20 0.01 -1.26 -4.99 113.70 105.88 1fjc s SER 62 Ca 0.08 0.11 0.09 0.00 1.31 0.00 0.00 55.95 57.55 1fjc s SER 62 Cb 0.07 0.45 0.83 0.00 0.21 0.00 0.00 66.02 67.59 1fjc s SER 62 CO 0.64 -0.69 1.85 -0.08 0.41 0.00 0.00 173.24 175.37 1fjc h GLU 63 N 2.16 0.65 -0.79 12.44 4.81 -1.87 0.13 114.58 132.12 1fjc h GLU 63 Ca -0.26 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.89 1fjc h GLU 63 Cb 1.24 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 1fjc h GLU 63 CO 0.34 0.43 0.32 0.00 -0.73 0.00 0.00 179.01 179.37 1fjc h ALA 64 N 1.60 1.07 0.29 2.92 0.00 -1.95 2.04 119.26 125.24 1fjc h ALA 64 Ca 0.48 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1fjc h ALA 64 Cb 0.82 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1fjc h ALA 64 CO -0.23 0.66 -0.14 0.22 0.00 0.00 0.00 179.25 179.76 1fjc h ASP 65 N 1.15 -0.33 -0.75 0.00 3.58 -1.21 1.70 116.42 120.55 1fjc h ASP 65 Ca 0.26 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 1fjc h ASP 65 Cb 0.21 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 1fjc h ASP 65 CO -0.02 0.04 0.38 0.00 -2.88 0.00 0.00 179.24 176.76 1fjc h ALA 66 N -0.20 0.97 -0.20 -0.78 0.00 -0.95 -0.01 119.26 118.09 1fjc h ALA 66 Ca -0.04 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1fjc h ALA 66 Cb 0.50 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1fjc h ALA 66 CO 0.07 0.51 -0.32 1.49 0.00 0.00 0.00 179.25 181.00 1fjc h GLU 67 N 1.05 0.57 -0.85 0.00 4.81 0.34 -0.63 114.58 119.88 1fjc h GLU 67 Ca 0.26 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1fjc h GLU 67 Cb 0.09 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1fjc h GLU 67 CO -0.04 0.95 0.53 -0.22 -0.73 0.00 0.00 179.01 179.51 1fjc h LYS 68 N 0.25 1.13 0.05 1.92 3.11 0.28 -0.45 116.57 122.86 1fjc h LYS 68 Ca 0.02 -0.08 -0.00 0.00 -2.81 0.00 0.00 60.65 57.77 1fjc h LYS 68 Cb 0.90 -0.25 0.00 0.00 -1.00 0.00 0.00 32.23 31.88 1fjc h LYS 68 CO 0.07 0.77 -0.03 -0.91 -2.81 0.00 0.00 179.45 176.55 1fjc h ASN 69 N 1.16 -0.06 -0.77 4.20 2.35 -0.91 1.76 115.58 123.29 1fjc h ASN 69 Ca 0.31 -0.47 0.15 0.00 -0.55 0.00 0.00 56.30 55.74 1fjc h ASN 69 Cb -0.09 0.02 -0.10 0.00 0.05 0.00 0.00 38.32 38.20 1fjc h ASN 69 CO -0.06 0.45 0.31 0.25 -1.65 0.00 0.00 177.43 176.73 1fjc h LEU 70 N -0.60 0.27 0.18 1.61 5.85 -0.83 -0.47 115.31 121.33 1fjc h LEU 70 Ca -0.01 0.12 -0.31 0.00 0.84 0.00 0.00 57.88 58.52 1fjc h LEU 70 Cb 0.52 0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.67 1fjc h LEU 70 CO 0.01 0.09 -1.44 -0.08 -0.34 0.00 0.00 178.44 176.68 1fjc h GLU 71 N 0.43 0.37 -0.31 1.25 4.57 -1.04 -2.27 114.58 117.58 1fjc h GLU 71 Ca 0.43 -0.64 0.07 0.00 -1.18 0.00 0.00 59.36 58.05 1fjc h GLU 71 Cb 0.68 0.24 -0.08 0.00 -0.16 0.00 0.00 28.75 29.43 1fjc h GLU 71 CO -0.42 1.29 -0.23 1.49 -1.18 0.00 0.00 179.01 179.95 1fjc h GLU 72 N 0.10 -0.19 0.00 1.92 4.22 0.40 -3.41 114.58 117.63 1fjc h GLU 72 Ca -0.22 0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.18 1fjc h GLU 72 Cb 2.06 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 31.31 1fjc h GLU 72 CO 0.22 -0.13 -0.01 1.17 -2.18 0.00 0.00 179.01 178.08 1fjc n LYS 73 N -5.38 0.30 0.00 1.92 3.00 -0.32 -5.05 118.16 112.63 1fjc n LYS 73 Ca 0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 58.31 57.92 1fjc n LYS 73 Cb 0.29 0.07 0.00 0.00 0.00 0.00 0.00 35.03 35.39 1fjc n LYS 73 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1fjc n GLN 74 N -0.39 0.00 -2.59 1.64 1.13 -0.85 0.05 117.38 116.36 1fjc n GLN 74 Ca -0.09 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.88 1fjc n GLN 74 Cb 0.60 0.00 0.04 0.00 0.11 0.00 0.00 30.24 30.99 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 0.00 3.16 1.86 1.08 0.00 0.70 -4.60 105.19 107.39 1fjc n GLY 75 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.57 -1.23 -1.53 4.61 0.00 0.11 -0.82 120.51 121.08 1fjc n ALA 76 Ca 0.18 0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.56 1fjc n ALA 76 Cb 0.84 -0.73 -0.14 0.00 0.00 0.00 0.00 19.45 19.42 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 1.79 0.32 -4.49 0.00 0.00 -1.26 -3.80 120.64 113.20 1fjc n GLU 77 Ca 0.00 -0.46 -0.25 0.00 0.00 0.00 0.00 57.16 56.44 1fjc n GLU 77 Cb 0.00 -2.50 -0.08 0.00 0.00 0.00 0.00 31.44 28.86 1fjc n GLU 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1fjc s ILE 78 N 8.31 0.42 -0.51 6.31 1.01 0.71 -4.60 121.20 132.86 1fjc s ILE 78 Ca 1.11 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1fjc s ILE 78 Cb -0.46 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 39.70 1fjc s ILE 78 CO 0.30 0.00 0.00 -0.67 0.00 0.00 0.00 174.94 174.57 1fjc n ASP 79 N -1.48 -2.13 0.00 3.58 -0.08 -1.26 0.26 116.55 115.45 1fjc n ASP 79 Ca -0.04 0.31 0.00 0.00 -1.51 0.00 0.00 54.79 53.55 1fjc n ASP 79 Cb 0.64 -1.97 0.00 0.00 2.34 0.00 0.00 41.12 42.13 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 -0.51 0.42 0.00 0.27 0.00 -1.26 -4.93 105.19 99.17 1fjc n GLY 80 Ca -0.06 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1fjc n GLY 80 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1fjc n ARG 81 N -2.60 0.00 -2.80 1.61 1.85 0.74 -5.13 116.66 110.33 1fjc n ARG 81 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.44 1fjc n ARG 81 Cb 0.09 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.46 1fjc n ARG 81 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1fjc s SER 82 N 0.00 7.35 -0.01 2.89 1.04 -1.25 -0.20 113.70 123.51 1fjc s SER 82 Ca 0.00 1.62 -0.30 0.00 0.48 0.00 0.00 55.95 57.76 1fjc s SER 82 Cb 0.00 -2.54 -0.07 0.00 0.10 0.00 0.00 66.02 63.50 1fjc s SER 82 CO 0.00 -0.13 1.86 -0.69 0.98 0.00 0.00 173.24 175.26 1fjc s VAL 83 N 0.43 3.24 0.38 5.02 1.01 0.00 -4.55 120.40 125.94 1fjc s VAL 83 Ca 0.46 0.29 -0.25 0.00 0.00 0.00 0.00 61.98 62.48 1fjc s VAL 83 Cb -0.21 -3.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.89 1fjc s VAL 83 CO 0.27 -0.03 1.13 -0.44 0.00 0.00 0.00 175.10 176.02 1fjc s SER 84 N 4.20 6.67 -0.21 3.32 0.01 0.39 0.25 113.70 128.34 1fjc s SER 84 Ca 0.83 2.26 -0.05 0.00 1.31 0.00 0.00 55.95 60.30 1fjc s SER 84 Cb -0.38 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.22 1fjc s SER 84 CO 0.37 -0.56 -0.01 -0.76 0.41 0.00 0.00 173.24 172.68 1fjc s LEU 85 N -2.40 3.10 -0.96 2.44 1.02 -1.26 0.26 118.68 120.89 1fjc s LEU 85 Ca 0.56 -0.29 -0.03 0.00 0.02 0.00 0.00 54.13 54.39 1fjc s LEU 85 Cb -0.29 -1.79 0.25 0.00 0.02 0.00 0.00 46.19 44.39 1fjc s LEU 85 CO 0.36 0.02 0.99 -1.22 0.02 0.00 0.00 176.35 176.52 1fjc n TYR 86 N 4.55 4.03 -2.37 0.29 4.02 0.87 -4.87 117.16 123.68 1fjc n TYR 86 Ca -0.17 -3.79 -0.25 0.00 -0.01 0.00 0.00 57.90 53.67 1fjc n TYR 86 Cb 0.51 -1.22 0.05 0.00 -0.02 0.00 0.00 39.34 38.66 1fjc n TYR 86 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1fjc s TYR 87 N -1.76 3.01 0.00 -0.72 6.14 -1.26 -1.05 117.35 121.71 1fjc s TYR 87 Ca 0.30 0.40 0.00 0.00 0.64 0.00 0.00 57.07 58.41 1fjc s TYR 87 Cb -0.03 -2.95 0.00 0.00 0.42 0.00 0.00 41.96 39.40 1fjc s TYR 87 CO -0.06 -1.10 0.00 -2.37 0.64 0.00 0.00 175.55 172.66 1fjc n THR 88 N -2.68 0.00 -1.78 4.34 5.66 -1.26 -4.77 114.28 113.79 1fjc n THR 88 Ca 0.07 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.97 1fjc n THR 88 Cb 0.59 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.35 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 0.30 2.79 1.09 0.00 -1.25 -4.70 105.19 103.43 1fjc n GLY 89 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.10 1.62 -4.14 1.61 2.13 -1.25 -4.51 120.64 114.00 1fjc n GLU 90 Ca -0.10 -2.97 -0.31 0.00 0.66 0.00 0.00 57.16 54.43 1fjc n GLU 90 Cb 0.43 -1.13 -0.07 0.00 0.27 0.00 0.00 31.44 30.94 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 -0.79 -0.81 0.00 5.31 4.81 -1.16 -4.36 118.16 121.16 1fjc n LYS 91 Ca 0.01 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1fjc n LYS 91 Cb 0.82 -3.04 0.00 0.00 0.02 0.00 0.00 35.03 32.83 1fjc n LYS 91 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fjc n GLY 92 N -2.36 -2.09 0.02 3.14 0.00 -1.21 -4.66 105.19 98.02 1fjc n GLY 92 Ca -0.26 -1.40 -0.01 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.14 -0.28 5.46 -0.02 0.00 -1.26 -4.93 105.19 103.02 1fjc n GLY 93 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.08 0.00 -4.29 2.61 -1.04 -1.26 -4.70 114.28 103.52 1fjc n THR 94 Ca -0.07 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.55 1fjc n THR 94 Cb 0.55 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.98 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 -0.74 0.00 -2.82 1.85 -1.26 -5.25 116.66 108.43 1fjc n ARG 95 Ca 0.00 0.13 0.00 0.00 -1.00 0.00 0.00 57.85 56.98 1fjc n ARG 95 Cb 0.00 -4.28 0.00 0.00 -1.05 0.00 0.00 32.46 27.13 1fjc n ARG 95 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03