#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 1.14 -0.94 1.43 -0.00 -1.26 -4.99 115.22 110.60 1fjc n HIS 2 Ca 0.00 -1.02 0.00 0.00 0.46 0.00 0.00 57.72 57.16 1fjc n HIS 2 Cb 0.00 -0.38 0.00 0.00 -0.12 0.00 0.00 29.99 29.49 1fjc n HIS 2 CO 0.00 0.00 0.00 -0.12 0.46 0.00 0.00 176.34 176.68 1fjc n MET 3 N -0.55 0.00 -1.75 1.57 0.00 -1.26 -5.12 117.12 110.01 1fjc n MET 3 Ca 0.25 0.00 -0.41 0.00 -0.00 0.00 0.00 57.70 57.55 1fjc n MET 3 Cb 0.97 0.00 0.01 0.00 0.00 0.00 0.00 33.22 34.20 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 0.00 4.74 -4.19 -0.89 7.99 -1.26 -5.00 117.00 118.39 1fjc n LEU 4 Ca 0.00 1.16 -0.16 0.00 -0.01 0.00 0.00 56.01 57.01 1fjc n LEU 4 Cb 0.00 -1.59 -0.07 0.00 -0.11 0.00 0.00 43.42 41.65 1fjc n LEU 4 CO 0.00 -0.15 -0.06 -1.83 -1.51 0.00 0.00 177.39 173.85 1fjc s GLU 5 N -2.26 1.64 0.96 3.23 -1.05 -1.26 -5.02 118.70 114.93 1fjc s GLU 5 Ca 0.58 -1.79 -0.13 0.00 -0.15 0.00 0.00 54.97 53.48 1fjc s GLU 5 Cb -0.47 0.35 0.03 0.00 -0.44 0.00 0.00 34.13 33.60 1fjc s GLU 5 CO 0.60 -0.62 0.34 -0.25 0.95 0.00 0.00 175.26 176.28 1fjc n ASP 6 N -1.10 -2.24 -3.54 0.83 8.00 -1.26 -4.97 116.55 112.27 1fjc n ASP 6 Ca 0.04 0.30 -0.27 0.00 0.71 0.00 0.00 54.79 55.57 1fjc n ASP 6 Cb 0.63 -1.18 0.22 0.00 -0.02 0.00 0.00 41.12 40.77 1fjc n ASP 6 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1fjc n PRO 7 N -1.57 -2.46 0.09 -0.24 -0.04 -1.26 -4.97 135.00 124.56 1fjc n PRO 7 Ca 0.06 -1.67 -0.02 0.00 -0.04 0.00 0.00 63.50 61.83 1fjc n PRO 7 Cb 0.54 -1.42 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.00 0.45 -6.93 0.00 2.02 -2.03 -3.45 112.91 102.97 1fjc h THR 9 Ca -0.04 -0.15 -0.59 0.00 0.77 0.00 0.00 66.41 66.40 1fjc h THR 9 Cb 1.57 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1fjc h THR 9 CO 0.09 0.08 -1.03 -1.54 0.37 0.00 0.00 175.52 173.48 1fjc n SER 10 N -4.86 -4.23 0.00 4.18 3.41 -1.24 -4.91 113.62 105.97 1fjc n SER 10 Ca 0.28 -1.26 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 1fjc n SER 10 Cb 0.88 -1.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 1fjc n SER 10 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1fjc n LYS 11 N -4.68 0.00 0.00 4.33 4.81 -1.26 -3.88 118.16 117.48 1fjc n LYS 11 Ca -0.15 0.25 0.10 0.00 -0.87 0.00 0.00 58.31 57.65 1fjc n LYS 11 Cb 0.58 -0.75 0.61 0.00 0.02 0.00 0.00 35.03 35.50 1fjc n LYS 11 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1fjc n LYS 12 N -2.22 0.80 0.06 1.64 4.81 -1.26 -2.63 118.16 119.35 1fjc n LYS 12 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.52 1fjc n LYS 12 Cb 0.00 -1.40 -0.06 0.00 0.02 0.00 0.00 35.03 33.59 1fjc n LYS 12 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1fjc n VAL 13 N -0.90 0.67 0.10 3.15 0.31 -1.26 -3.53 118.33 116.86 1fjc n VAL 13 Ca 0.15 -0.59 -0.24 0.00 -0.01 0.00 0.00 64.34 63.66 1fjc n VAL 13 Cb 0.07 -0.37 -0.15 0.00 -0.91 0.00 0.00 33.84 32.48 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 0.44 -0.03 5.55 3.08 -1.61 -3.28 114.38 118.52 1fjc h ARG 14 Ca -0.06 -0.75 0.00 0.00 0.07 0.00 0.00 59.98 59.24 1fjc h ARG 14 Cb 1.19 0.28 0.00 0.00 0.08 0.00 0.00 29.97 31.52 1fjc h ARG 14 CO 0.01 1.36 0.00 0.00 -1.07 0.00 0.00 179.97 180.27 1fjc n ALA 15 N -2.81 2.61 -0.02 0.04 0.00 -1.24 -3.53 120.51 115.56 1fjc n ALA 15 Ca -0.21 -0.24 -0.10 0.00 0.00 0.00 0.00 53.44 52.89 1fjc n ALA 15 Cb 1.06 -1.30 -0.14 0.00 0.00 0.00 0.00 19.45 19.07 1fjc n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fjc n ALA 16 N -0.56 1.44 -0.56 0.00 0.00 -1.23 -1.82 120.51 117.78 1fjc n ALA 16 Ca 0.17 -0.74 -0.07 0.00 0.00 0.00 0.00 53.44 52.80 1fjc n ALA 16 Cb 0.15 -0.85 0.22 0.00 0.00 0.00 0.00 19.45 18.97 1fjc n ALA 16 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1fjc n ARG 17 N -3.09 2.90 -3.81 0.00 1.85 -1.23 -3.99 116.66 109.29 1fjc n ARG 17 Ca -0.18 -2.32 -0.13 0.00 -1.00 0.00 0.00 57.85 54.23 1fjc n ARG 17 Cb 1.05 -1.98 -0.12 0.00 -1.05 0.00 0.00 32.46 30.36 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 -0.00 0.03 8.89 2.01 -1.25 0.26 115.64 123.16 1fjc s THR 18 Ca 0.42 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.37 1fjc s THR 18 Cb 0.34 -0.26 -0.01 0.00 0.01 0.00 0.00 72.50 72.58 1fjc s THR 18 CO 0.10 0.00 0.09 -1.48 -0.69 0.00 0.00 174.62 172.64 1fjc s LEU 19 N 0.10 1.80 -0.26 4.42 0.05 0.37 -2.90 118.68 122.26 1fjc s LEU 19 Ca -0.00 -0.46 -0.13 0.00 0.05 0.00 0.00 54.13 53.59 1fjc s LEU 19 Cb -0.01 0.56 -0.04 0.00 -2.05 0.00 0.00 46.19 44.64 1fjc s LEU 19 CO 0.00 -0.46 0.28 -0.22 -0.55 0.00 0.00 176.35 175.40 1fjc s LEU 20 N -1.90 4.05 0.35 1.48 2.96 0.75 0.59 118.68 126.95 1fjc s LEU 20 Ca -0.08 0.17 -0.25 0.00 -0.22 0.00 0.00 54.13 53.74 1fjc s LEU 20 Cb -0.03 -2.27 -0.10 0.00 0.50 0.00 0.00 46.19 44.29 1fjc s LEU 20 CO -0.03 -0.09 0.99 0.00 -1.32 0.00 0.00 176.35 175.91 1fjc s ALA 21 N 1.75 3.17 0.21 5.97 0.00 0.80 0.28 121.76 133.95 1fjc s ALA 21 Ca 0.11 0.61 -0.02 0.00 0.00 0.00 0.00 51.96 52.66 1fjc s ALA 21 Cb -0.15 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1fjc s ALA 21 CO 0.09 0.01 0.18 0.15 0.00 0.00 0.00 175.76 176.20 1fjc s LYS 22 N -2.22 1.27 -0.44 0.00 -0.14 0.37 -0.25 119.74 118.33 1fjc s LYS 22 Ca 0.53 -1.60 0.00 0.00 -1.36 0.00 0.00 55.97 53.55 1fjc s LYS 22 Cb -0.20 0.30 0.00 0.00 -1.68 0.00 0.00 37.83 36.25 1fjc s LYS 22 CO 0.26 -0.43 0.00 -1.71 -0.76 0.00 0.00 175.35 172.70 1fjc n ASN 23 N -0.34 -4.42 -3.77 2.83 5.15 -0.51 -0.93 115.26 113.27 1fjc n ASN 23 Ca 0.02 0.10 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 1fjc n ASN 23 Cb 0.65 -2.28 0.00 0.00 -0.53 0.00 0.00 39.78 37.62 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 -0.47 0.00 -3.96 1.20 7.99 -0.03 -4.73 117.00 117.00 1fjc n LEU 24 Ca -0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 55.86 1fjc n LEU 24 Cb 0.29 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.53 1fjc n LEU 24 CO 0.06 -0.68 0.05 -0.55 -1.51 0.00 0.00 177.39 174.76 1fjc s SER 25 N -1.97 -0.02 0.02 -1.43 0.15 -1.26 -4.74 113.70 104.46 1fjc s SER 25 Ca 0.00 -0.88 0.15 0.00 0.70 0.00 0.00 55.95 55.92 1fjc s SER 25 Cb 0.00 0.48 0.66 0.00 -1.71 0.00 0.00 66.02 65.45 1fjc s SER 25 CO 0.00 -0.97 1.49 0.49 1.20 0.00 0.00 173.24 175.45 1fjc n PHE 26 N -0.27 0.06 -0.05 3.44 3.01 -1.26 -2.64 117.46 119.74 1fjc n PHE 26 Ca -0.05 0.02 -0.15 0.00 1.01 0.00 0.00 57.45 58.28 1fjc n PHE 26 Cb 0.63 -0.53 -0.14 0.00 -0.01 0.00 0.00 39.48 39.42 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 -1.55 1.29 -4.44 4.37 2.85 -1.26 -4.95 115.26 111.57 1fjc n ASN 27 Ca 0.03 0.16 -0.29 0.00 -0.11 0.00 0.00 54.58 54.37 1fjc n ASN 27 Cb 0.18 -0.15 0.21 0.00 1.24 0.00 0.00 39.78 41.25 1fjc n ASN 27 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1fjc s ILE 28 N -2.55 1.90 0.22 -1.44 2.07 -1.08 -5.05 121.20 115.27 1fjc s ILE 28 Ca -0.17 0.00 -0.21 0.00 -1.41 0.00 0.00 60.65 58.86 1fjc s ILE 28 Cb 0.07 -2.42 0.07 0.00 0.13 0.00 0.00 42.46 40.31 1fjc s ILE 28 CO 0.76 0.00 0.98 0.42 -1.91 0.00 0.00 174.94 175.19 1fjc s THR 29 N -2.89 0.00 0.23 4.00 -4.23 -1.26 -4.83 115.64 106.66 1fjc s THR 29 Ca 0.67 -0.68 -0.06 0.00 -1.18 0.00 0.00 61.69 60.44 1fjc s THR 29 Cb -0.18 -2.78 0.19 0.00 1.34 0.00 0.00 72.50 71.08 1fjc s THR 29 CO 0.58 0.00 1.78 -0.08 -0.54 0.00 0.00 174.62 176.36 1fjc h GLU 30 N 2.00 0.62 -0.58 3.99 4.81 -1.92 0.33 114.58 123.82 1fjc h GLU 30 Ca -0.28 -0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.03 1fjc h GLU 30 Cb 1.23 -0.14 -0.09 0.00 0.63 0.00 0.00 28.75 30.38 1fjc h GLU 30 CO 0.36 0.41 0.08 0.22 -0.73 0.00 0.00 179.01 179.34 1fjc h ASP 31 N 0.63 -0.09 -0.61 1.04 3.58 -1.95 2.12 116.42 121.15 1fjc h ASP 31 Ca 0.37 0.12 -0.08 0.00 0.42 0.00 0.00 57.03 57.86 1fjc h ASP 31 Cb 0.39 0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 1fjc h ASP 31 CO -0.27 -0.03 0.07 -0.08 -2.88 0.00 0.00 179.24 176.05 1fjc h GLU 32 N 0.20 1.05 -0.13 0.28 4.22 -1.48 0.62 114.58 119.34 1fjc h GLU 32 Ca 0.30 -0.29 -0.11 0.00 0.08 0.00 0.00 59.36 59.35 1fjc h GLU 32 Cb 0.46 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1fjc h GLU 32 CO -0.43 0.98 -0.41 -0.07 -2.18 0.00 0.00 179.01 176.91 1fjc h LEU 33 N 0.98 0.30 -0.37 1.64 3.38 0.12 0.16 115.31 121.51 1fjc h LEU 33 Ca 0.19 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1fjc h LEU 33 Cb 0.46 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1fjc h LEU 33 CO 0.02 0.68 -0.25 0.50 0.09 0.00 0.00 178.44 179.47 1fjc h LYS 34 N 0.24 0.00 0.02 1.13 1.63 0.41 0.16 116.57 120.16 1fjc h LYS 34 Ca 0.02 0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.58 1fjc h LYS 34 Cb 0.82 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.42 1fjc h LYS 34 CO 0.07 0.25 -1.22 1.49 -3.45 0.00 0.00 179.45 176.59 1fjc h GLU 35 N 0.00 0.03 0.19 1.90 4.81 0.11 -3.22 114.58 118.40 1fjc h GLU 35 Ca -0.00 -0.05 -0.33 0.00 -0.13 0.00 0.00 59.36 58.84 1fjc h GLU 35 Cb 1.06 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.47 1fjc h GLU 35 CO 0.03 0.90 -1.62 0.28 -0.73 0.00 0.00 179.01 177.87 1fjc h VAL 36 N 0.01 1.03 -1.05 0.32 2.07 -0.62 -3.33 116.25 114.67 1fjc h VAL 36 Ca -0.10 -2.53 -0.52 0.00 0.82 0.00 0.00 66.70 64.38 1fjc h VAL 36 Cb 1.86 2.83 -0.19 0.00 -1.52 0.00 0.00 31.29 34.26 1fjc h VAL 36 CO 0.12 0.82 0.56 0.49 0.02 0.00 0.00 177.57 179.58 1fjc n PHE 37 N -3.68 1.98 0.31 1.57 3.72 0.03 -4.64 117.46 116.74 1fjc n PHE 37 Ca -0.23 -2.13 0.13 0.00 -0.05 0.00 0.00 57.45 55.17 1fjc n PHE 37 Cb 1.05 -1.26 0.70 0.00 -0.94 0.00 0.00 39.48 39.03 1fjc n PHE 37 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1fjc h GLU 38 N 2.51 0.00 0.00 -1.08 4.81 -1.68 0.53 114.58 119.68 1fjc h GLU 38 Ca 0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 1fjc h GLU 38 Cb 0.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1fjc h GLU 38 CO 1.02 0.00 -1.08 -3.47 -0.73 0.00 0.00 179.01 174.75 1fjc n ASP 39 N -2.74 0.76 -4.83 1.04 2.03 -1.26 -4.92 116.55 106.62 1fjc n ASP 39 Ca -0.02 0.27 -0.29 0.00 0.52 0.00 0.00 54.79 55.27 1fjc n ASP 39 Cb 0.41 0.59 0.12 0.00 -0.72 0.00 0.00 41.12 41.52 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 -3.36 2.15 -0.15 -1.67 0.00 0.19 -4.18 121.76 114.74 1fjc s ALA 40 Ca -0.01 -0.57 -0.24 0.00 0.00 0.00 0.00 51.96 51.14 1fjc s ALA 40 Cb 0.10 -3.00 -0.21 0.00 0.00 0.00 0.00 23.12 20.01 1fjc s ALA 40 CO 0.80 -2.02 0.56 -0.07 0.00 0.00 0.00 175.76 175.03 1fjc h LEU 41 N -1.30 0.00 -7.65 0.00 3.38 -0.59 -3.45 115.31 105.71 1fjc h LEU 41 Ca -0.49 -0.77 0.04 0.00 0.09 0.00 0.00 57.88 56.75 1fjc h LEU 41 Cb 1.33 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.00 1fjc h LEU 41 CO 0.64 1.03 0.23 -1.61 0.09 0.00 0.00 178.44 178.81 1fjc s GLU 42 N -2.17 1.60 0.04 1.13 2.02 -0.98 -5.03 118.70 115.31 1fjc s GLU 42 Ca -0.19 -0.80 0.02 0.00 0.02 0.00 0.00 54.97 54.02 1fjc s GLU 42 Cb -0.01 0.60 -0.02 0.00 0.10 0.00 0.00 34.13 34.80 1fjc s GLU 42 CO 0.58 -0.72 -0.08 0.42 0.02 0.00 0.00 175.26 175.48 1fjc s ILE 43 N -3.85 0.52 0.28 -1.63 1.09 -1.26 -1.08 121.20 115.28 1fjc s ILE 43 Ca 0.08 -1.07 0.11 0.00 -1.10 0.00 0.00 60.65 58.66 1fjc s ILE 43 Cb -0.04 -0.60 -0.05 0.00 -1.06 0.00 0.00 42.46 40.71 1fjc s ILE 43 CO 0.00 -0.38 -0.16 -0.60 -0.10 0.00 0.00 174.94 173.70 1fjc s ARG 44 N -1.57 1.66 0.14 2.79 3.52 0.69 -4.89 118.95 121.29 1fjc s ARG 44 Ca -0.10 -1.79 0.04 0.00 -0.13 0.00 0.00 55.73 53.76 1fjc s ARG 44 Cb -0.10 -1.63 -0.04 0.00 -1.56 0.00 0.00 34.95 31.62 1fjc s ARG 44 CO 0.00 0.25 0.15 -1.17 -0.81 0.00 0.00 175.30 173.72 1fjc s LEU 45 N -3.50 3.89 -0.07 -0.88 0.20 -1.26 0.15 118.68 117.20 1fjc s LEU 45 Ca 0.30 -0.06 -0.03 0.00 0.69 0.00 0.00 54.13 55.03 1fjc s LEU 45 Cb -0.02 -2.51 0.04 0.00 -0.43 0.00 0.00 46.19 43.27 1fjc s LEU 45 CO 0.14 0.09 0.15 -0.69 -0.29 0.00 0.00 176.35 175.75 1fjc s VAL 46 N -1.68 -0.16 0.00 1.68 1.01 0.81 -4.62 120.40 117.45 1fjc s VAL 46 Ca 0.31 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1fjc s VAL 46 Cb -0.11 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.01 1fjc s VAL 46 CO 0.24 0.11 0.00 -1.20 0.00 0.00 0.00 175.10 174.25 1fjc n SER 47 N 4.78 0.00 -3.66 3.32 7.64 -1.26 -0.37 113.62 124.06 1fjc n SER 47 Ca -0.15 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.58 1fjc n SER 47 Cb 0.51 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.63 1fjc n SER 47 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1fjc s GLN 48 N 4.79 0.74 -0.29 1.43 -0.44 -0.80 -4.63 119.66 120.46 1fjc s GLN 48 Ca 0.00 0.45 0.00 0.00 -2.50 0.00 0.00 55.36 53.31 1fjc s GLN 48 Cb 0.00 0.35 0.00 0.00 -1.64 0.00 0.00 33.01 31.72 1fjc s GLN 48 CO 0.00 -0.16 0.00 -0.25 0.50 0.00 0.00 175.29 175.38 1fjc n ASP 49 N 2.05 -1.35 -1.18 6.67 8.00 -1.26 0.11 116.55 129.59 1fjc n ASP 49 Ca -0.16 0.28 -0.04 0.00 0.71 0.00 0.00 54.79 55.58 1fjc n ASP 49 Cb 0.56 -1.40 0.01 0.00 -0.02 0.00 0.00 41.12 40.28 1fjc n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fjc n GLY 50 N -0.36 0.55 2.98 0.44 0.00 -1.26 -5.04 105.19 102.49 1fjc n GLY 50 Ca -0.03 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.45 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 -4.86 0.38 -0.12 1.61 1.02 0.29 -5.11 119.74 112.96 1fjc s LYS 51 Ca 0.06 0.64 -0.17 0.00 0.02 0.00 0.00 55.97 56.53 1fjc s LYS 51 Cb -0.03 -0.27 -0.08 0.00 -0.52 0.00 0.00 37.83 36.94 1fjc s LYS 51 CO 0.13 -0.60 0.53 0.45 -0.92 0.00 0.00 175.35 174.93 1fjc n SER 52 N 5.38 0.28 -0.03 2.83 2.88 -1.26 -1.91 113.62 121.78 1fjc n SER 52 Ca -0.04 0.44 -0.01 0.00 -1.33 0.00 0.00 58.87 57.93 1fjc n SER 52 Cb 0.50 -0.34 -0.07 0.00 -0.75 0.00 0.00 64.21 63.56 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 1.15 1.86 0.00 -1.46 4.81 -1.25 -4.71 118.16 118.55 1fjc n LYS 53 Ca 0.10 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1fjc n LYS 53 Cb -0.00 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 33.83 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 2.32 1.77 3.54 3.14 0.00 -1.23 -4.81 105.19 109.91 1fjc n GLY 54 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 2.75 -0.17 -0.61 1.01 0.50 -0.85 121.20 121.84 1fjc s ILE 55 Ca 0.00 -2.22 -0.29 0.00 0.00 0.00 0.00 60.65 58.15 1fjc s ILE 55 Cb 0.00 -2.52 0.10 0.00 0.01 0.00 0.00 42.46 40.05 1fjc s ILE 55 CO 0.00 -0.36 0.85 0.00 0.00 0.00 0.00 174.94 175.42 1fjc s ALA 56 N -2.47 -1.86 0.17 9.38 0.00 0.66 0.28 121.76 127.93 1fjc s ALA 56 Ca 0.31 1.63 -0.12 0.00 0.00 0.00 0.00 51.96 53.79 1fjc s ALA 56 Cb -0.04 -0.69 -0.07 0.00 0.00 0.00 0.00 23.12 22.31 1fjc s ALA 56 CO 0.17 -0.32 0.52 0.71 0.00 0.00 0.00 175.76 176.84 1fjc s TYR 57 N -0.62 3.53 -0.04 0.00 2.02 0.40 0.28 117.35 122.92 1fjc s TYR 57 Ca -0.04 0.93 -0.02 0.00 -0.37 0.00 0.00 57.07 57.58 1fjc s TYR 57 Cb -0.02 -2.29 0.03 0.00 -0.40 0.00 0.00 41.96 39.28 1fjc s TYR 57 CO 0.03 0.38 0.06 0.42 -1.57 0.00 0.00 175.55 174.87 1fjc s ILE 58 N -1.60 -0.11 -0.14 2.71 1.01 0.20 0.25 121.20 123.50 1fjc s ILE 58 Ca 0.41 0.39 0.01 0.00 0.00 0.00 0.00 60.65 61.46 1fjc s ILE 58 Cb -0.13 -0.15 -0.00 0.00 0.01 0.00 0.00 42.46 42.18 1fjc s ILE 58 CO 0.20 0.16 -0.16 -1.83 0.00 0.00 0.00 174.94 173.32 1fjc s GLU 59 N 2.02 3.23 0.52 2.79 -1.05 -0.25 0.14 118.70 126.11 1fjc s GLU 59 Ca 0.03 -0.75 0.08 0.00 -0.15 0.00 0.00 54.97 54.18 1fjc s GLU 59 Cb -0.12 -2.59 0.05 0.00 -0.44 0.00 0.00 34.13 31.03 1fjc s GLU 59 CO -0.03 0.07 0.61 -0.06 0.95 0.00 0.00 175.26 176.80 1fjc s PHE 60 N 0.67 1.83 -1.01 4.83 0.40 0.71 0.08 117.98 125.48 1fjc s PHE 60 Ca -0.08 -0.68 0.19 0.00 -0.60 0.00 0.00 56.93 55.76 1fjc s PHE 60 Cb -0.16 -2.15 0.81 0.00 0.51 0.00 0.00 43.02 42.03 1fjc s PHE 60 CO 0.02 -0.75 1.60 1.17 0.70 0.00 0.00 175.22 177.96 1fjc n LYS 61 N -1.98 0.01 0.00 0.44 4.81 -1.26 -4.50 118.16 115.68 1fjc n LYS 61 Ca 0.09 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 1fjc n LYS 61 Cb 0.62 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.17 1fjc n LYS 61 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1fjc n SER 62 N -1.49 0.00 -0.18 3.14 3.41 -1.26 -4.96 113.62 112.28 1fjc n SER 62 Ca 0.05 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.80 1fjc n SER 62 Cb 0.22 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.65 1fjc n SER 62 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1fjc h GLU 63 N 0.00 0.46 -0.64 4.33 4.81 -1.89 0.12 114.58 121.76 1fjc h GLU 63 Ca 0.00 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1fjc h GLU 63 Cb 0.00 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1fjc h GLU 63 CO 0.00 0.30 0.25 0.00 -0.73 0.00 0.00 179.01 178.83 1fjc h ALA 64 N 1.64 0.83 0.17 2.92 0.00 -1.94 1.43 119.26 124.30 1fjc h ALA 64 Ca 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1fjc h ALA 64 Cb 0.80 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1fjc h ALA 64 CO -0.13 0.45 -0.08 -0.44 0.00 0.00 0.00 179.25 179.05 1fjc h ASP 65 N 0.90 -0.19 -0.09 0.00 5.19 -1.42 0.34 116.42 121.14 1fjc h ASP 65 Ca 0.21 -0.31 -0.03 0.00 -0.62 0.00 0.00 57.03 56.29 1fjc h ASP 65 Cb 0.22 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 1fjc h ASP 65 CO -0.02 0.24 -0.01 0.00 -3.12 0.00 0.00 179.24 176.33 1fjc h ALA 66 N 0.04 1.63 -0.05 3.45 0.00 -1.01 -0.43 119.26 122.89 1fjc h ALA 66 Ca -0.02 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1fjc h ALA 66 Cb 0.48 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1fjc h ALA 66 CO 0.04 0.28 -0.46 1.49 0.00 0.00 0.00 179.25 180.59 1fjc h GLU 67 N 0.28 0.40 -0.76 0.00 4.81 0.21 0.04 114.58 119.55 1fjc h GLU 67 Ca 0.07 -0.37 -0.05 0.00 -0.13 0.00 0.00 59.36 58.88 1fjc h GLU 67 Cb 0.21 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1fjc h GLU 67 CO 0.01 1.02 0.28 -0.22 -0.73 0.00 0.00 179.01 179.36 1fjc h LYS 68 N -0.09 1.16 -0.07 1.92 3.11 0.00 0.43 116.57 123.03 1fjc h LYS 68 Ca -0.04 -0.22 -0.09 0.00 -2.81 0.00 0.00 60.65 57.49 1fjc h LYS 68 Cb 1.14 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.20 1fjc h LYS 68 CO 0.09 0.96 -0.29 -0.91 -2.81 0.00 0.00 179.45 176.49 1fjc h ASN 69 N 1.12 0.37 1.17 4.20 2.35 -1.11 0.53 115.58 124.21 1fjc h ASN 69 Ca 0.25 -0.64 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1fjc h ASN 69 Cb 0.25 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1fjc h ASN 69 CO -0.02 0.95 0.00 0.25 -1.65 0.00 0.00 177.43 176.97 1fjc h LEU 70 N -0.19 0.00 0.06 1.61 5.85 -0.85 2.24 115.31 124.03 1fjc h LEU 70 Ca -0.02 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.36 1fjc h LEU 70 Cb 0.94 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 1fjc h LEU 70 CO 0.06 0.00 -2.00 -1.84 -0.34 0.00 0.00 178.44 174.32 1fjc n GLU 71 N -3.07 0.70 -0.88 1.25 0.28 0.15 -4.19 120.64 114.88 1fjc n GLU 71 Ca 0.01 0.24 0.05 0.00 -0.16 0.00 0.00 57.16 57.30 1fjc n GLU 71 Cb 0.34 -1.70 0.10 0.00 1.43 0.00 0.00 31.44 31.61 1fjc n GLU 71 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1fjc n GLU 72 N -3.27 0.73 -0.69 3.44 4.07 0.17 -4.81 120.64 120.28 1fjc n GLU 72 Ca -0.29 -2.42 -0.03 0.00 -0.06 0.00 0.00 57.16 54.36 1fjc n GLU 72 Cb 1.05 -0.83 -0.03 0.00 -0.06 0.00 0.00 31.44 31.57 1fjc n GLU 72 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1fjc n LYS 73 N -0.38 0.00 0.00 5.31 3.00 0.71 -4.88 118.16 121.93 1fjc n LYS 73 Ca 0.11 -0.47 0.00 0.00 -0.00 0.00 0.00 58.31 57.95 1fjc n LYS 73 Cb 0.87 0.37 0.00 0.00 0.00 0.00 0.00 35.03 36.26 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 0.00 0.00 -1.25 1.64 6.02 0.13 -4.02 117.38 119.91 1fjc n GLN 74 Ca -0.13 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.60 1fjc n GLN 74 Cb 0.48 0.00 0.15 0.00 1.02 0.00 0.00 30.24 31.89 1fjc n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1fjc n GLY 75 N 0.00 5.02 0.41 1.08 0.00 0.25 -4.80 105.19 107.15 1fjc n GLY 75 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.06 -0.12 -2.41 4.61 0.00 -1.26 -0.90 120.51 119.37 1fjc n ALA 76 Ca 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.94 1fjc n ALA 76 Cb 1.29 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.75 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 -0.10 -0.51 -4.35 0.00 2.13 -1.26 -4.86 120.64 111.70 1fjc n GLU 77 Ca 0.00 0.64 -0.21 0.00 0.66 0.00 0.00 57.16 58.25 1fjc n GLU 77 Cb 0.00 -0.85 -0.08 0.00 0.27 0.00 0.00 31.44 30.78 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 -0.76 0.16 -0.66 6.31 1.01 0.42 -4.70 121.20 122.99 1fjc s ILE 78 Ca 0.08 -2.00 -0.07 0.00 0.00 0.00 0.00 60.65 58.66 1fjc s ILE 78 Cb -0.01 -2.44 0.07 0.00 0.01 0.00 0.00 42.46 40.09 1fjc s ILE 78 CO 0.18 0.00 0.20 -0.90 0.00 0.00 0.00 174.94 174.41 1fjc n ASP 79 N -1.47 -1.62 -0.34 3.58 5.68 -1.26 0.27 116.55 121.39 1fjc n ASP 79 Ca 0.03 -0.05 -0.03 0.00 -0.50 0.00 0.00 54.79 54.24 1fjc n ASP 79 Cb 0.63 -1.47 -0.01 0.00 -1.14 0.00 0.00 41.12 39.13 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 -0.72 0.41 0.00 6.12 0.00 -1.26 -4.89 105.19 104.84 1fjc n GLY 80 Ca 0.02 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.00 0.00 -1.96 1.61 1.85 0.78 -5.12 116.66 111.83 1fjc n ARG 81 Ca -0.04 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.39 1fjc n ARG 81 Cb 0.35 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.73 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 6.63 0.59 2.89 1.04 -1.26 -0.44 113.70 123.16 1fjc s SER 82 Ca 0.00 2.44 -0.13 0.00 0.48 0.00 0.00 55.95 58.74 1fjc s SER 82 Cb 0.00 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.51 1fjc s SER 82 CO 0.00 -0.87 1.02 -0.69 0.98 0.00 0.00 173.24 173.68 1fjc s VAL 83 N 2.69 4.60 -0.09 5.02 1.01 -0.08 -4.79 120.40 128.77 1fjc s VAL 83 Ca 0.73 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 63.67 1fjc s VAL 83 Cb -0.39 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1fjc s VAL 83 CO 0.32 -0.98 -0.02 -0.44 0.00 0.00 0.00 175.10 173.98 1fjc s SER 84 N -3.79 5.08 -0.25 3.32 0.01 -0.11 0.86 113.70 118.83 1fjc s SER 84 Ca 0.57 0.09 -0.09 0.00 1.31 0.00 0.00 55.95 57.82 1fjc s SER 84 Cb -0.11 -1.44 -0.04 0.00 0.21 0.00 0.00 66.02 64.64 1fjc s SER 84 CO 0.47 0.36 0.13 -0.76 0.41 0.00 0.00 173.24 173.84 1fjc s LEU 85 N -0.75 3.84 -0.63 2.44 1.02 -1.26 0.14 118.68 123.48 1fjc s LEU 85 Ca 0.12 -0.03 -0.13 0.00 0.02 0.00 0.00 54.13 54.10 1fjc s LEU 85 Cb -0.11 -2.04 0.16 0.00 0.02 0.00 0.00 46.19 44.22 1fjc s LEU 85 CO 0.02 0.01 0.56 -0.31 0.02 0.00 0.00 176.35 176.64 1fjc s TYR 86 N 1.40 3.46 0.15 0.29 1.51 0.81 -4.86 117.35 120.11 1fjc s TYR 86 Ca 0.06 -1.70 -0.02 0.00 -1.01 0.00 0.00 57.07 54.40 1fjc s TYR 86 Cb -0.15 -3.72 0.03 0.00 -0.11 0.00 0.00 41.96 38.02 1fjc s TYR 86 CO 0.06 -1.00 0.07 0.98 -1.11 0.00 0.00 175.55 174.56 1fjc n TYR 87 N 4.67 -1.40 -2.26 2.71 4.19 -1.26 0.27 117.16 124.08 1fjc n TYR 87 Ca -0.03 -0.03 -0.05 0.00 3.31 0.00 0.00 57.90 61.11 1fjc n TYR 87 Cb 0.42 -0.18 0.00 0.00 0.49 0.00 0.00 39.34 40.08 1fjc n TYR 87 CO 0.00 0.00 0.00 -2.37 0.91 0.00 0.00 176.86 175.40 1fjc n THR 88 N -2.88 0.03 -3.99 2.97 5.66 -1.14 -4.26 114.28 110.67 1fjc n THR 88 Ca 0.01 -0.44 -0.31 0.00 -3.05 0.00 0.00 64.05 60.27 1fjc n THR 88 Cb 0.05 0.70 -0.15 0.00 -1.55 0.00 0.00 70.33 69.38 1fjc n THR 88 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1fjc s GLY 89 N -1.15 1.65 -1.88 1.09 0.00 -0.76 -4.53 107.32 101.74 1fjc s GLY 89 Ca 0.05 -2.00 -0.24 0.00 0.00 0.00 0.00 44.72 42.53 1fjc s GLY 89 CO -0.05 0.91 0.60 -2.21 0.00 0.00 0.00 173.10 172.34 1fjc n GLU 90 N 4.44 -0.71 -2.25 2.90 4.07 -1.26 -0.45 120.64 127.38 1fjc n GLU 90 Ca -0.05 0.14 -0.04 0.00 -0.06 0.00 0.00 57.16 57.15 1fjc n GLU 90 Cb 0.42 -4.69 -0.01 0.00 -0.06 0.00 0.00 31.44 27.11 1fjc n GLU 90 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1fjc n LYS 91 N -4.03 -2.30 -0.87 5.31 4.81 -1.26 -4.78 118.16 115.03 1fjc n LYS 91 Ca 0.12 0.01 -0.35 0.00 -0.87 0.00 0.00 58.31 57.23 1fjc n LYS 91 Cb 0.45 -3.44 0.09 0.00 0.02 0.00 0.00 35.03 32.15 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 -0.45 -3.13 0.00 3.14 0.00 0.40 -4.91 105.19 100.25 1fjc n GLY 92 Ca 0.01 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 2.52 0.00 2.68 -0.02 0.00 -1.26 -5.02 105.19 104.09 1fjc n GLY 93 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 2.11 -1.34 2.61 5.66 -1.26 -5.08 114.28 116.98 1fjc n THR 94 Ca 0.00 -5.26 0.16 0.00 -3.05 0.00 0.00 64.05 55.90 1fjc n THR 94 Cb 0.00 -1.26 -0.08 0.00 -1.55 0.00 0.00 70.33 67.45 1fjc n THR 94 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1fjc n ARG 95 N 0.07 -2.88 0.00 1.09 3.00 -1.26 -5.35 116.66 111.33 1fjc n ARG 95 Ca 0.29 2.31 0.00 0.00 -0.01 0.00 0.00 57.85 60.44 1fjc n ARG 95 Cb 0.46 -3.46 0.00 0.00 0.00 0.00 0.00 32.46 29.46 1fjc n ARG 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04