#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fki s THR 2 N 0.00 1.57 0.40 1.12 2.01 -1.26 -4.83 115.64 114.65 2fki s THR 2 Ca 0.00 -2.00 0.14 0.00 0.31 0.00 0.00 61.69 60.14 2fki s THR 2 Cb 0.00 -2.77 0.36 0.00 0.01 0.00 0.00 72.50 70.10 2fki s THR 2 CO 0.00 0.00 1.87 0.40 -0.69 0.00 0.00 174.62 176.20 2fki h ILE 3 N 1.78 0.75 -1.00 1.82 1.08 -1.98 0.15 117.51 120.10 2fki h ILE 3 Ca -0.43 -0.17 0.09 0.00 -0.39 0.00 0.00 64.86 63.96 2fki h ILE 3 Cb 1.26 0.21 -0.07 0.00 -3.07 0.00 0.00 36.82 35.15 2fki h ILE 3 CO 0.76 0.09 0.64 0.77 -0.69 0.00 0.00 178.15 179.72 2fki h SER 4 N 0.49 1.00 0.80 1.72 4.64 -2.01 -0.45 113.55 119.74 2fki h SER 4 Ca 0.44 0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.58 2fki h SER 4 Cb 0.96 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 2fki h SER 4 CO -0.18 0.60 -0.97 -0.33 -0.87 0.00 0.00 176.83 175.09 2fki h GLU 5 N 1.11 0.09 -0.54 4.77 5.08 -1.16 -3.22 114.58 120.70 2fki h GLU 5 Ca 0.46 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 2fki h GLU 5 Cb 0.29 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 2fki h GLU 5 CO -0.21 0.98 0.30 -0.07 -1.00 0.00 0.00 179.01 179.02 2fki h LEU 6 N 0.04 0.66 -0.22 1.33 -0.00 -0.02 -1.75 115.31 115.35 2fki h LEU 6 Ca -0.04 -0.04 0.05 0.00 -0.00 0.00 0.00 57.88 57.85 2fki h LEU 6 Cb 1.66 -0.17 -0.05 0.00 -0.00 0.00 0.00 40.66 42.11 2fki h LEU 6 CO 0.14 0.53 -0.09 0.25 -0.00 0.00 0.00 178.44 179.27 2fki h LEU 7 N 0.75 -0.30 -0.76 1.67 7.12 -1.15 0.32 115.31 122.96 2fki h LEU 7 Ca 0.19 0.08 -0.11 0.00 0.13 0.00 0.00 57.88 58.17 2fki h LEU 7 Cb 0.02 0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.31 2fki h LEU 7 CO -0.03 -0.12 -0.21 1.56 -0.13 0.00 0.00 178.44 179.51 2fki h GLN 8 N -0.05 0.72 -0.45 1.25 1.08 -1.62 -2.35 115.11 113.69 2fki h GLN 8 Ca 0.11 -0.28 -0.06 0.00 -1.45 0.00 0.00 58.65 56.97 2fki h GLN 8 Cb 0.22 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 2fki h GLN 8 CO -0.25 0.87 0.02 -0.92 -0.95 0.00 0.00 178.83 177.60 2fki h TYR 9 N 0.64 0.77 -0.15 2.96 3.20 -0.45 -1.94 116.97 122.00 2fki h TYR 9 Ca 0.09 -0.09 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 2fki h TYR 9 Cb 0.70 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 2fki h TYR 9 CO 0.03 0.71 -0.40 0.00 -1.64 0.00 0.00 178.16 176.86 2fki n MET 11 N -4.03 0.87 0.00 0.00 2.81 -0.86 -2.08 117.12 113.83 2fki n MET 11 Ca -0.01 -0.01 0.14 0.00 -1.81 0.00 0.00 57.70 56.00 2fki n MET 11 Cb 0.48 -1.50 0.48 0.00 -0.71 0.00 0.00 33.22 31.97 2fki n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2fki n ALA 12 N -1.05 2.82 -3.14 3.04 0.00 -0.79 -4.69 120.51 116.70 2fki n ALA 12 Ca 0.22 -0.41 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 2fki n ALA 12 Cb 0.14 -1.17 -0.08 0.00 0.00 0.00 0.00 19.45 18.34 2fki n ALA 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2fki s LYS 13 N -2.27 2.82 -0.02 0.00 -0.14 -0.89 -5.05 119.74 114.20 2fki s LYS 13 Ca 0.31 -1.49 -0.30 0.00 -1.36 0.00 0.00 55.97 53.14 2fki s LYS 13 Cb 0.20 -4.04 -0.07 0.00 -1.68 0.00 0.00 37.83 32.24 2fki s LYS 13 CO 0.43 -1.08 1.86 -1.25 -0.76 0.00 0.00 175.35 174.56 2fki s PRO 14 N 1.54 4.07 0.00 -1.68 0.04 -1.26 -2.31 135.00 135.40 2fki s PRO 14 Ca 0.04 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.47 2fki s PRO 14 Cb -0.25 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.18 2fki s PRO 14 CO 0.04 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.47 2fki n GLY 15 N 4.50 1.55 3.66 0.56 0.00 -1.26 -4.79 105.19 109.42 2fki n GLY 15 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2fki n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fki s ALA 16 N -1.71 3.53 -0.17 4.61 0.00 -0.98 -4.32 121.76 122.73 2fki s ALA 16 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.79 2fki s ALA 16 Cb 0.00 -3.06 -0.00 0.00 0.00 0.00 0.00 23.12 20.06 2fki s ALA 16 CO 0.00 -0.58 -0.12 -2.00 0.00 0.00 0.00 175.76 173.06 2fki s GLU 17 N 1.97 3.27 0.23 0.00 2.12 0.47 -4.82 118.70 121.94 2fki s GLU 17 Ca 0.32 -0.71 -0.00 0.00 0.36 0.00 0.00 54.97 54.94 2fki s GLU 17 Cb -0.16 -2.72 -0.04 0.00 0.26 0.00 0.00 34.13 31.47 2fki s GLU 17 CO 0.11 -0.02 0.42 1.14 -0.54 0.00 0.00 175.26 176.37 2fki s GLN 18 N 0.94 3.52 -0.28 4.30 1.03 -1.26 -1.48 119.66 126.43 2fki s GLN 18 Ca -0.02 -0.35 0.01 0.00 0.04 0.00 0.00 55.36 55.03 2fki s GLN 18 Cb -0.15 -2.81 0.16 0.00 0.03 0.00 0.00 33.01 30.25 2fki s GLN 18 CO -0.01 0.36 0.45 -1.54 -2.54 0.00 0.00 175.29 172.00 2fki s SER 19 N -3.35 -0.15 -0.41 12.60 1.04 0.17 -4.91 113.70 118.69 2fki s SER 19 Ca 0.39 0.06 -0.29 0.00 0.48 0.00 0.00 55.95 56.59 2fki s SER 19 Cb -0.11 1.37 0.02 0.00 0.10 0.00 0.00 66.02 67.41 2fki s SER 19 CO 0.30 -0.32 1.16 0.54 0.98 0.00 0.00 173.24 175.90 2fki s VAL 20 N 2.62 4.26 -0.15 5.02 0.11 -1.26 -0.17 120.40 130.84 2fki s VAL 20 Ca 0.12 1.36 -0.23 0.00 -2.93 0.00 0.00 61.98 60.30 2fki s VAL 20 Cb -0.13 -4.48 -0.03 0.00 -1.53 0.00 0.00 36.38 30.21 2fki s VAL 20 CO -0.24 -0.79 0.71 -1.00 -3.33 0.00 0.00 175.10 170.45 2fki s HIS 21 N 4.30 3.45 -1.36 1.54 3.76 0.26 -4.90 115.29 122.34 2fki s HIS 21 Ca 0.49 1.13 0.00 0.00 -0.15 0.00 0.00 55.06 56.53 2fki s HIS 21 Cb -0.10 -2.86 0.00 0.00 1.11 0.00 0.00 32.58 30.73 2fki s HIS 21 CO 0.26 -0.11 0.67 -1.71 -0.85 0.00 0.00 174.74 173.01 2fki n ASN 22 N 4.68 0.63 0.16 1.40 5.15 -1.26 -1.72 115.26 124.31 2fki n ASN 22 Ca 0.00 -1.97 -0.13 0.00 -0.60 0.00 0.00 54.58 51.89 2fki n ASN 22 Cb 0.50 -0.32 -0.07 0.00 -0.53 0.00 0.00 39.78 39.36 2fki n ASN 22 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 2fki h ASP 23 N 0.01 -0.38 0.00 1.20 3.58 -1.94 -3.40 116.42 115.49 2fki h ASP 23 Ca 0.00 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.28 2fki h ASP 23 Cb 0.32 0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2fki h ASP 23 CO 0.00 0.02 -0.33 -2.67 -2.88 0.00 0.00 179.24 173.39 2fki n TRP 24 N -5.13 0.00 -2.67 0.28 4.27 -1.24 -5.06 117.44 107.88 2fki n TRP 24 Ca -0.09 0.00 -0.04 0.00 -3.89 0.00 0.00 57.50 53.47 2fki n TRP 24 Cb 0.27 -0.03 0.01 0.00 -1.36 0.00 0.00 31.31 30.20 2fki n TRP 24 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 2fki n LYS 25 N 0.00 -2.59 -3.72 -2.67 5.02 -0.70 -4.88 118.16 108.62 2fki n LYS 25 Ca 0.00 2.23 -0.12 0.00 -2.02 0.00 0.00 58.31 58.40 2fki n LYS 25 Cb 0.63 -5.17 -0.10 0.00 -0.02 0.00 0.00 35.03 30.36 2fki n LYS 25 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2fki s ALA 26 N -2.06 -1.00 -0.31 7.82 0.00 -1.12 -3.45 121.76 121.64 2fki s ALA 26 Ca 0.13 1.26 -0.12 0.00 0.00 0.00 0.00 51.96 53.23 2fki s ALA 26 Cb -0.04 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 2fki s ALA 26 CO 0.70 -0.22 0.23 0.99 0.00 0.00 0.00 175.76 177.47 2fki s THR 27 N 0.64 5.29 -0.39 0.00 2.01 0.14 -0.58 115.64 122.75 2fki s THR 27 Ca -0.03 -0.01 -0.23 0.00 0.31 0.00 0.00 61.69 61.73 2fki s THR 27 Cb -0.05 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.84 2fki s THR 27 CO -0.04 0.10 0.77 -1.58 -0.69 0.00 0.00 174.62 173.18 2fki s GLN 28 N 1.77 3.63 -0.37 4.92 0.74 0.77 -1.94 119.66 129.17 2fki s GLN 28 Ca 0.07 0.14 -0.08 0.00 0.05 0.00 0.00 55.36 55.54 2fki s GLN 28 Cb -0.17 -3.85 0.05 0.00 1.10 0.00 0.00 33.01 30.14 2fki s GLN 28 CO 0.11 -0.94 0.18 0.42 -0.55 0.00 0.00 175.29 174.51 2fki s ILE 29 N 3.14 4.12 0.20 -2.34 1.01 -1.04 -0.66 121.20 125.62 2fki s ILE 29 Ca 0.30 -1.15 -0.02 0.00 0.00 0.00 0.00 60.65 59.78 2fki s ILE 29 Cb -0.13 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 2fki s ILE 29 CO 0.19 -0.30 0.16 -1.59 0.00 0.00 0.00 174.94 173.40 2fki s LYS 30 N 1.44 1.21 0.00 2.79 -2.85 -0.55 -3.52 119.74 118.26 2fki s LYS 30 Ca 0.01 -1.57 0.00 0.00 -1.00 0.00 0.00 55.97 53.41 2fki s LYS 30 Cb -0.20 0.29 0.00 0.00 -2.06 0.00 0.00 37.83 35.85 2fki s LYS 30 CO 0.04 -0.40 0.00 0.28 0.10 0.00 0.00 175.35 175.36 2fki n VAL 31 N -0.26 0.00 -0.00 1.79 0.31 0.41 -0.39 118.33 120.18 2fki n VAL 31 Ca 0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.21 2fki n VAL 31 Cb 0.65 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.49 2fki n VAL 31 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2fki h GLU 32 N 0.00 0.02 0.00 5.55 5.08 -1.99 -3.39 114.58 119.85 2fki h GLU 32 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2fki h GLU 32 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2fki h GLU 32 CO 0.00 0.37 -0.28 -3.47 -1.00 0.00 0.00 179.01 174.64 2fki n ASP 33 N -4.90 0.00 -4.19 1.42 2.03 -1.26 -5.05 116.55 104.60 2fki n ASP 33 Ca -0.08 -1.55 -0.36 0.00 0.52 0.00 0.00 54.79 53.32 2fki n ASP 33 Cb 0.20 -0.11 -0.13 0.00 -0.72 0.00 0.00 41.12 40.35 2fki n ASP 33 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2fki s VAL 34 N 0.00 3.22 -0.36 5.18 1.01 -1.26 -5.07 120.40 123.12 2fki s VAL 34 Ca 0.00 -1.39 -0.18 0.00 0.00 0.00 0.00 61.98 60.41 2fki s VAL 34 Cb 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2fki s VAL 34 CO 0.00 -0.18 0.51 -0.22 0.00 0.00 0.00 175.10 175.21 2fki s LEU 35 N 1.28 4.41 -0.15 3.92 2.96 -1.26 -0.44 118.68 129.39 2fki s LEU 35 Ca -0.03 -0.11 0.10 0.00 -0.22 0.00 0.00 54.13 53.87 2fki s LEU 35 Cb -0.20 -2.57 -0.16 0.00 0.50 0.00 0.00 46.19 43.76 2fki s LEU 35 CO -0.00 -0.51 0.00 2.22 -1.32 0.00 0.00 176.35 176.74 2fki n PHE 36 N 5.76 0.00 -3.54 5.38 -1.74 -1.25 -4.79 117.46 117.28 2fki n PHE 36 Ca -0.05 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.70 2fki n PHE 36 Cb 0.49 -0.70 -0.05 0.00 1.52 0.00 0.00 39.48 40.74 2fki n PHE 36 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2fki s ALA 37 N -2.35 -1.43 -0.05 1.98 0.00 -1.23 -0.40 121.76 118.28 2fki s ALA 37 Ca -0.11 0.67 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 2fki s ALA 37 Cb 0.05 0.43 0.03 0.00 0.00 0.00 0.00 23.12 23.63 2fki s ALA 37 CO 0.54 -0.54 0.05 0.00 0.00 0.00 0.00 175.76 175.81 2fki s MET 38 N -2.54 0.11 0.06 0.00 0.23 0.12 -2.49 119.30 114.79 2fki s MET 38 Ca -0.05 0.29 -0.22 0.00 -1.03 0.00 0.00 55.69 54.69 2fki s MET 38 Cb -0.01 -0.67 -0.06 0.00 -1.53 0.00 0.00 34.83 32.57 2fki s MET 38 CO -0.02 -0.33 0.66 0.54 -2.03 0.00 0.00 175.02 173.84 2fki s VAL 39 N 2.12 4.72 -0.19 5.16 0.11 -0.82 -0.56 120.40 130.93 2fki s VAL 39 Ca 0.05 1.41 -0.15 0.00 -2.93 0.00 0.00 61.98 60.36 2fki s VAL 39 Cb -0.12 -4.00 0.05 0.00 -1.53 0.00 0.00 36.38 30.78 2fki s VAL 39 CO -0.04 0.46 0.50 -1.59 -3.33 0.00 0.00 175.10 171.10 2fki s LYS 40 N -0.59 0.55 -0.43 1.54 -2.85 0.10 0.26 119.74 118.32 2fki s LYS 40 Ca 0.33 0.77 -0.20 0.00 -1.00 0.00 0.00 55.97 55.88 2fki s LYS 40 Cb -0.20 0.19 0.02 0.00 -2.06 0.00 0.00 37.83 35.78 2fki s LYS 40 CO 0.21 -0.10 0.59 -1.21 0.10 0.00 0.00 175.35 174.93 2fki s GLU 41 N 0.70 3.27 -0.04 1.78 8.01 -1.22 -0.47 118.70 130.73 2fki s GLU 41 Ca -0.04 -0.43 0.04 0.00 0.01 0.00 0.00 54.97 54.55 2fki s GLU 41 Cb -0.05 -3.94 -0.00 0.00 -4.31 0.00 0.00 34.13 25.83 2fki s GLU 41 CO -0.05 -0.94 -0.17 0.54 0.01 0.00 0.00 175.26 174.65 2fki s VAL 42 N 2.63 1.41 -1.96 2.63 0.11 -0.11 -4.48 120.40 120.64 2fki s VAL 42 Ca 0.20 -0.71 0.00 0.00 -2.93 0.00 0.00 61.98 58.54 2fki s VAL 42 Cb -0.15 -1.21 0.00 0.00 -1.53 0.00 0.00 36.38 33.49 2fki s VAL 42 CO 0.17 0.41 0.00 -0.62 -3.33 0.00 0.00 175.10 171.73 2fki n GLU 43 N 3.09 -1.53 -1.86 1.54 1.02 -1.26 -0.70 120.64 120.94 2fki n GLU 43 Ca -0.18 1.11 -0.20 0.00 -0.02 0.00 0.00 57.16 57.87 2fki n GLU 43 Cb 0.53 -5.61 -0.06 0.00 -0.02 0.00 0.00 31.44 26.28 2fki n GLU 43 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2fki n ASN 44 N -1.61 -5.47 -4.42 1.62 5.15 -1.26 -4.99 115.26 104.28 2fki n ASN 44 Ca -0.22 0.30 -0.33 0.00 -0.60 0.00 0.00 54.58 53.73 2fki n ASN 44 Cb 0.68 -4.62 -0.14 0.00 -0.53 0.00 0.00 39.78 35.17 2fki n ASN 44 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2fki s ARG 45 N -4.15 2.97 -0.07 1.20 1.81 0.13 -5.06 118.95 115.78 2fki s ARG 45 Ca 0.00 -0.69 -0.30 0.00 -1.72 0.00 0.00 55.73 53.02 2fki s ARG 45 Cb 0.00 -2.51 -0.04 0.00 -0.45 0.00 0.00 34.95 31.94 2fki s ARG 45 CO 0.00 0.41 1.49 -1.25 -0.68 0.00 0.00 175.30 175.27 2fki s PRO 46 N -0.16 4.22 0.21 3.54 0.04 -1.26 -0.93 135.00 140.66 2fki s PRO 46 Ca -0.01 2.00 -0.05 0.00 0.04 0.00 0.00 61.00 62.98 2fki s PRO 46 Cb -0.13 -3.83 -0.03 0.00 0.04 0.00 0.00 34.50 30.55 2fki s PRO 46 CO 0.03 -0.75 0.24 0.00 0.04 0.00 0.00 177.00 176.56 2fki s ALA 47 N 3.51 0.72 -0.03 8.56 0.00 0.37 0.03 121.76 134.92 2fki s ALA 47 Ca 0.66 -1.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 2fki s ALA 47 Cb -0.30 1.28 0.02 0.00 0.00 0.00 0.00 23.12 24.12 2fki s ALA 47 CO 0.25 -0.67 0.07 0.54 0.00 0.00 0.00 175.76 175.94 2fki s VAL 48 N -4.11 -0.03 -0.25 0.00 0.11 -1.01 0.01 120.40 115.11 2fki s VAL 48 Ca 0.33 0.11 -0.07 0.00 -2.93 0.00 0.00 61.98 59.42 2fki s VAL 48 Cb 0.05 -0.12 -0.03 0.00 -1.53 0.00 0.00 36.38 34.75 2fki s VAL 48 CO 0.11 0.05 0.07 -0.44 -3.33 0.00 0.00 175.10 171.55 2fki s SER 49 N 0.62 5.11 0.01 3.54 0.01 0.27 -1.89 113.70 121.37 2fki s SER 49 Ca -0.05 -0.21 -0.04 0.00 1.31 0.00 0.00 55.95 56.96 2fki s SER 49 Cb -0.07 -1.92 -0.04 0.00 0.21 0.00 0.00 66.02 64.20 2fki s SER 49 CO -0.02 -0.03 0.24 -0.76 0.41 0.00 0.00 173.24 173.07 2fki s LEU 50 N 1.60 4.36 0.06 2.44 1.02 0.19 -0.70 118.68 127.66 2fki s LEU 50 Ca 0.06 0.46 0.22 0.00 0.02 0.00 0.00 54.13 54.89 2fki s LEU 50 Cb -0.15 -2.71 -0.12 0.00 0.02 0.00 0.00 46.19 43.23 2fki s LEU 50 CO 0.03 0.24 0.83 1.17 0.02 0.00 0.00 176.35 178.64 2fki n LYS 51 N 0.92 0.50 -0.03 1.70 3.00 0.47 -1.72 118.16 123.00 2fki n LYS 51 Ca -0.10 -0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.17 2fki n LYS 51 Cb 0.53 -1.63 0.00 0.00 0.00 0.00 0.00 35.03 33.92 2fki n LYS 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2fki n THR 52 N -2.26 0.00 -1.15 3.15 -1.04 -1.26 -4.93 114.28 106.79 2fki n THR 52 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2fki n THR 52 Cb 0.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 2fki n THR 52 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2fki n SER 53 N -0.03 -3.64 0.22 8.00 2.88 -1.26 -4.82 113.62 114.97 2fki n SER 53 Ca 0.00 0.38 0.11 0.00 -1.33 0.00 0.00 58.87 58.03 2fki n SER 53 Cb 0.00 -1.93 0.32 0.00 -0.75 0.00 0.00 64.21 61.85 2fki n SER 53 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2fki h PRO 54 N 0.95 0.00 -0.03 -1.46 0.11 -2.00 -3.25 132.00 126.33 2fki h PRO 54 Ca 0.00 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.89 2fki h PRO 54 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2fki h PRO 54 CO 0.00 0.13 -0.89 1.49 -0.21 0.00 0.00 178.00 178.52 2fki h GLU 55 N 0.00 0.45 -0.49 1.05 4.81 -2.00 -2.57 114.58 115.84 2fki h GLU 55 Ca -0.00 -0.45 -0.04 0.00 -0.13 0.00 0.00 59.36 58.74 2fki h GLU 55 Cb 0.90 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 2fki h GLU 55 CO 0.02 1.10 0.15 -0.07 -0.73 0.00 0.00 179.01 179.48 2fki h LEU 56 N 0.27 0.66 -0.90 1.64 -0.00 -1.87 -1.87 115.31 113.24 2fki h LEU 56 Ca -0.07 -0.09 -0.03 0.00 -0.00 0.00 0.00 57.88 57.69 2fki h LEU 56 Cb 1.51 -0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 41.97 2fki h LEU 56 CO 0.16 0.63 0.40 0.00 -0.00 0.00 0.00 178.44 179.63 2fki h ALA 57 N 1.46 1.14 -0.18 1.53 0.00 -1.57 -0.91 119.26 120.73 2fki h ALA 57 Ca 0.16 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2fki h ALA 57 Cb 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2fki h ALA 57 CO -0.01 0.65 0.10 0.93 0.00 0.00 0.00 179.25 180.92 2fki h GLU 58 N 1.18 0.21 -0.15 0.00 4.39 -0.95 0.21 114.58 119.46 2fki h GLU 58 Ca 0.29 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.96 2fki h GLU 58 Cb 0.12 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2fki h GLU 58 CO -0.04 0.14 0.05 -0.07 -1.16 0.00 0.00 179.01 177.93 2fki h LEU 59 N 0.21 0.18 -0.18 1.33 4.07 -1.14 -0.39 115.31 119.40 2fki h LEU 59 Ca 0.07 -0.01 -0.20 0.00 0.08 0.00 0.00 57.88 57.82 2fki h LEU 59 Cb 0.00 -0.05 0.01 0.00 1.08 0.00 0.00 40.66 41.70 2fki h LEU 59 CO -0.04 0.18 -0.68 0.25 -1.08 0.00 0.00 178.44 177.07 2fki h LEU 60 N 0.21 0.91 0.02 1.67 5.85 -0.09 -0.82 115.31 123.05 2fki h LEU 60 Ca 0.05 -0.61 -0.00 0.00 0.84 0.00 0.00 57.88 58.17 2fki h LEU 60 Cb 0.07 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.83 2fki h LEU 60 CO -0.00 1.36 -0.01 0.03 -0.34 0.00 0.00 178.44 179.48 2fki h ARG 61 N 0.51 -0.03 0.01 1.25 2.47 -0.14 -3.27 114.38 115.18 2fki h ARG 61 Ca -0.03 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2fki h ARG 61 Cb 1.31 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.63 2fki h ARG 61 CO 0.14 0.63 -0.00 1.96 0.56 0.00 0.00 179.97 183.26 2fki h GLN 62 N -0.72 -0.01 -2.22 0.04 7.50 -1.20 -3.36 115.11 115.14 2fki h GLN 62 Ca -0.00 0.00 -0.66 0.00 0.50 0.00 0.00 58.65 58.49 2fki h GLN 62 Cb 0.67 0.00 -0.19 0.00 0.05 0.00 0.00 27.48 28.01 2fki h GLN 62 CO 0.00 0.45 1.21 1.04 -1.50 0.00 0.00 178.83 180.03 2fki n GLN 63 N -4.71 3.54 -0.62 1.46 1.13 -0.31 -4.80 117.38 113.06 2fki n GLN 63 Ca -0.05 -3.17 -0.04 0.00 -1.94 0.00 0.00 57.00 51.79 2fki n GLN 63 Cb 0.23 -2.36 -0.06 0.00 0.11 0.00 0.00 30.24 28.16 2fki n GLN 63 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 2fki n HIS 64 N 0.80 0.00 0.00 1.08 1.44 -1.23 -2.60 115.22 114.71 2fki n HIS 64 Ca 0.54 -1.05 0.00 0.00 -2.01 0.00 0.00 57.72 55.20 2fki n HIS 64 Cb 0.37 -0.88 0.00 0.00 0.12 0.00 0.00 29.99 29.60 2fki n HIS 64 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2fki n SER 65 N 2.00 0.00 -0.07 4.39 2.88 -1.26 -4.87 113.62 116.70 2fki n SER 65 Ca 0.16 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.59 2fki n SER 65 Cb 0.59 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.00 2fki n SER 65 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2fki h ASP 66 N 0.00 0.34 -0.15 -3.46 3.58 -1.87 -3.21 116.42 111.64 2fki h ASP 66 Ca 0.00 -0.27 -0.18 0.00 0.42 0.00 0.00 57.03 57.00 2fki h ASP 66 Cb 0.00 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 40.97 2fki h ASP 66 CO 0.00 0.52 -0.62 1.62 -2.88 0.00 0.00 179.24 177.87 2fki h VAL 67 N 0.14 1.31 -4.94 2.25 3.04 -1.80 -3.46 116.25 112.79 2fki h VAL 67 Ca 0.06 -1.86 0.01 0.00 -1.01 0.00 0.00 66.70 63.90 2fki h VAL 67 Cb 0.33 2.01 -0.09 0.00 -2.01 0.00 0.00 31.29 31.53 2fki h VAL 67 CO 0.01 0.58 -1.36 -1.14 -1.01 0.00 0.00 177.57 174.65 2fki n ARG 68 N -4.08 -4.70 -1.90 4.17 0.63 -1.22 -2.12 116.66 107.45 2fki n ARG 68 Ca -0.07 3.49 -0.30 0.00 -0.92 0.00 0.00 57.85 60.05 2fki n ARG 68 Cb 0.66 -4.81 0.21 0.00 0.45 0.00 0.00 32.46 28.97 2fki n ARG 68 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2fki s PRO 69 N -0.62 0.32 -0.43 -0.14 0.04 -1.24 -3.39 135.00 129.54 2fki s PRO 69 Ca -0.19 -0.49 -0.21 0.00 0.04 0.00 0.00 61.00 60.15 2fki s PRO 69 Cb 0.01 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.76 2fki s PRO 69 CO 0.51 -2.62 0.69 -1.54 0.04 0.00 0.00 177.00 174.08 2fki s SER 70 N -4.91 6.37 0.56 6.66 1.04 -1.26 -4.92 113.70 117.25 2fki s SER 70 Ca 0.76 -0.17 0.30 0.00 0.48 0.00 0.00 55.95 57.31 2fki s SER 70 Cb -0.03 -2.34 1.69 0.00 0.10 0.00 0.00 66.02 65.44 2fki s SER 70 CO 0.54 -0.79 2.17 -0.09 0.98 0.00 0.00 173.24 176.05 2fki h ARG 71 N 8.83 0.00 0.00 4.02 2.43 -1.99 -2.19 114.38 125.48 2fki h ARG 71 Ca -0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 2fki h ARG 71 Cb 1.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 2fki h ARG 71 CO 0.91 0.06 0.00 1.25 -1.51 0.00 0.00 179.97 180.67 2fki h HIS 72 N 0.00 0.00 -4.76 2.20 2.76 -2.05 -3.46 115.15 109.84 2fki h HIS 72 Ca -0.00 0.00 -0.50 0.00 -2.20 0.00 0.00 60.37 57.67 2fki h HIS 72 Cb 0.17 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 29.03 2fki h HIS 72 CO 0.00 0.00 -0.37 1.28 -1.30 0.00 0.00 177.93 177.54 2fki n LEU 73 N -3.03 0.00 -4.56 0.26 4.77 -0.82 -5.06 117.00 108.55 2fki n LEU 73 Ca 0.02 -2.46 -0.40 0.00 -0.03 0.00 0.00 56.01 53.14 2fki n LEU 73 Cb 0.35 0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.78 2fki n LEU 73 CO 0.28 -0.35 1.46 0.20 -1.33 0.00 0.00 177.39 177.65 2fki s ASN 74 N -3.12 5.65 0.49 -1.43 -0.87 -1.26 -4.84 114.94 109.56 2fki s ASN 74 Ca 0.03 0.35 0.26 0.00 -1.57 0.00 0.00 52.86 51.93 2fki s ASN 74 Cb 0.00 -2.54 1.23 0.00 -0.02 0.00 0.00 41.25 39.93 2fki s ASN 74 CO 0.02 -2.08 1.97 0.07 -2.57 0.00 0.00 177.10 174.51 2fki h LYS 75 N 13.21 0.00 -0.94 -0.60 2.10 -1.82 -1.03 116.57 127.49 2fki h LYS 75 Ca -0.27 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 57.73 2fki h LYS 75 Cb 1.13 0.00 -0.32 0.00 -0.90 0.00 0.00 32.23 32.14 2fki h LYS 75 CO 1.19 0.17 0.46 0.00 -2.00 0.00 0.00 179.45 179.27 2fki n ALA 76 N -2.25 6.02 0.00 0.07 0.00 -1.26 -4.35 120.51 118.74 2fki n ALA 76 Ca -0.01 -3.56 0.00 0.00 0.00 0.00 0.00 53.44 49.87 2fki n ALA 76 Cb 0.32 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2fki n ALA 76 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2fki n HIS 77 N -0.87 0.00 -3.67 0.00 -0.00 -0.99 -5.10 115.22 104.59 2fki n HIS 77 Ca 0.58 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 58.55 2fki n HIS 77 Cb 0.74 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.57 2fki n HIS 77 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2fki s TRP 78 N -1.00 2.66 -0.10 1.57 0.52 -0.42 -4.97 118.94 117.20 2fki s TRP 78 Ca 0.00 -0.52 0.02 0.00 0.02 0.00 0.00 56.10 55.62 2fki s TRP 78 Cb 0.00 -2.13 0.01 0.00 -1.15 0.00 0.00 33.47 30.20 2fki s TRP 78 CO 0.00 -0.08 -0.15 -1.12 0.02 0.00 0.00 176.95 175.61 2fki s SER 79 N -4.10 2.40 -0.07 2.95 0.01 -0.70 -4.62 113.70 109.58 2fki s SER 79 Ca 0.47 -0.42 0.02 0.00 1.31 0.00 0.00 55.95 57.33 2fki s SER 79 Cb -0.02 -1.08 0.01 0.00 0.21 0.00 0.00 66.02 65.14 2fki s SER 79 CO 0.27 0.03 -0.13 -0.89 0.41 0.00 0.00 173.24 172.93 2fki s THR 80 N 0.90 1.19 -0.17 1.44 2.01 -1.26 0.57 115.64 120.33 2fki s THR 80 Ca -0.08 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.41 2fki s THR 80 Cb -0.15 -1.08 0.01 0.00 0.01 0.00 0.00 72.50 71.29 2fki s THR 80 CO -0.00 0.37 -0.19 0.54 -0.69 0.00 0.00 174.62 174.64 2fki s VAL 81 N 0.64 2.21 -0.22 3.82 0.11 -0.79 -3.60 120.40 122.56 2fki s VAL 81 Ca -0.15 -0.91 -0.29 0.00 -2.93 0.00 0.00 61.98 57.71 2fki s VAL 81 Cb -0.16 -1.92 -0.00 0.00 -1.53 0.00 0.00 36.38 32.77 2fki s VAL 81 CO 0.04 0.53 1.18 -0.31 -3.33 0.00 0.00 175.10 173.21 2fki s TYR 82 N 1.12 3.01 -0.42 1.54 2.02 -0.90 -2.40 117.35 121.32 2fki s TYR 82 Ca 0.00 1.15 0.03 0.00 -0.37 0.00 0.00 57.07 57.89 2fki s TYR 82 Cb -0.14 -3.51 0.58 0.00 -0.40 0.00 0.00 41.96 38.49 2fki s TYR 82 CO -0.08 -1.22 1.84 1.28 -1.57 0.00 0.00 175.55 175.80 2fki n LEU 83 N 6.69 6.42 0.00 -1.29 4.77 0.10 -4.06 117.00 129.63 2fki n LEU 83 Ca 0.13 -3.43 0.13 0.00 -0.03 0.00 0.00 56.01 52.81 2fki n LEU 83 Cb 0.46 -0.82 0.76 0.00 -2.33 0.00 0.00 43.42 41.49 2fki n LEU 83 CO 0.56 1.02 0.94 -0.90 -1.33 0.00 0.00 177.39 177.69 2fki n ASP 84 N -0.94 0.00 0.00 -1.43 5.75 -1.20 -4.71 116.55 114.02 2fki n ASP 84 Ca 0.54 -0.83 0.00 0.00 -0.01 0.00 0.00 54.79 54.48 2fki n ASP 84 Cb 1.48 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.57 2fki n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2fki n GLY 85 N 0.63 0.90 0.26 6.12 0.00 -1.26 -5.02 105.19 106.82 2fki n GLY 85 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 2fki n GLY 85 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2fki h SER 86 N 0.00 -0.49 -2.86 1.61 0.87 -1.85 -3.43 113.55 107.40 2fki h SER 86 Ca 0.00 -0.07 -0.63 0.00 -1.23 0.00 0.00 61.79 59.85 2fki h SER 86 Cb 0.00 0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 62.03 2fki h SER 86 CO 0.00 -0.21 -0.34 -0.76 -0.53 0.00 0.00 176.83 174.98 2fki s LEU 87 N -9.76 4.41 0.78 2.23 2.01 -1.26 -5.09 118.68 112.01 2fki s LEU 87 Ca -0.15 0.69 -0.11 0.00 0.01 0.00 0.00 54.13 54.57 2fki s LEU 87 Cb 0.03 -2.45 0.06 0.00 0.01 0.00 0.00 46.19 43.84 2fki s LEU 87 CO 0.57 0.33 1.09 -2.84 1.01 0.00 0.00 176.35 176.51 2fki s PRO 88 N -1.27 2.18 0.52 1.29 0.02 -1.26 -4.84 135.00 131.65 2fki s PRO 88 Ca 0.22 1.03 0.28 0.00 0.02 0.00 0.00 61.00 62.54 2fki s PRO 88 Cb -0.14 -1.90 1.46 0.00 0.02 0.00 0.00 34.50 33.94 2fki s PRO 88 CO 0.11 -1.66 2.07 0.38 -0.33 0.00 0.00 177.00 177.58 2fki h ASP 89 N -1.13 0.00 0.28 2.53 3.04 -1.98 -1.37 116.42 117.80 2fki h ASP 89 Ca -0.45 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.30 2fki h ASP 89 Cb 1.24 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.52 2fki h ASP 89 CO 0.53 0.11 -0.21 0.77 -2.04 0.00 0.00 179.24 178.41 2fki h SER 90 N 0.00 0.00 0.47 4.15 4.64 -1.95 -2.19 113.55 118.66 2fki h SER 90 Ca -0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 2fki h SER 90 Cb 0.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2fki h SER 90 CO 0.01 0.21 -0.68 -0.61 -0.87 0.00 0.00 176.83 174.89 2fki h GLN 91 N 0.00 0.19 -0.54 4.77 5.75 -1.61 -3.26 115.11 120.42 2fki h GLN 91 Ca -0.00 -0.15 -0.02 0.00 -0.15 0.00 0.00 58.65 58.33 2fki h GLN 91 Cb 0.41 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.96 2fki h GLN 91 CO 0.03 0.80 0.26 0.82 -2.65 0.00 0.00 178.83 178.08 2fki h ILE 92 N 0.13 1.18 -0.37 2.39 2.04 -1.40 -2.21 117.51 119.27 2fki h ILE 92 Ca -0.02 -0.50 0.07 0.00 1.00 0.00 0.00 64.86 65.42 2fki h ILE 92 Cb 1.22 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 2fki h ILE 92 CO 0.10 0.21 0.01 1.88 0.00 0.00 0.00 178.15 180.35 2fki h TYR 93 N 0.75 -0.01 -0.63 1.37 0.05 -1.60 -2.07 116.97 114.83 2fki h TYR 93 Ca 0.19 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.99 2fki h TYR 93 Cb 0.07 0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 2fki h TYR 93 CO 0.01 -0.06 0.39 -0.92 -1.05 0.00 0.00 178.16 176.52 2fki h TYR 94 N 0.11 0.82 -0.75 4.88 3.20 -1.57 -1.97 116.97 121.69 2fki h TYR 94 Ca 0.18 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 2fki h TYR 94 Cb 0.25 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 2fki h TYR 94 CO -0.25 0.55 0.37 -0.07 -1.64 0.00 0.00 178.16 177.12 2fki h LEU 95 N 0.85 0.98 0.02 2.82 3.38 -1.10 -1.49 115.31 120.77 2fki h LEU 95 Ca 0.23 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2fki h LEU 95 Cb -0.04 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.46 2fki h LEU 95 CO -0.04 0.83 -0.01 0.58 0.09 0.00 0.00 178.44 179.88 2fki h VAL 96 N 1.05 1.38 -0.38 1.22 2.07 -1.25 -3.17 116.25 117.16 2fki h VAL 96 Ca 0.26 -1.83 -0.08 0.00 0.82 0.00 0.00 66.70 65.87 2fki h VAL 96 Cb 0.10 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 2fki h VAL 96 CO -0.03 0.43 -0.09 -0.78 0.02 0.00 0.00 177.57 177.11 2fki h ASP 97 N -0.91 0.74 -0.67 0.57 3.58 -1.38 -2.39 116.42 115.97 2fki h ASP 97 Ca -0.00 -0.36 -0.03 0.00 0.42 0.00 0.00 57.03 57.05 2fki h ASP 97 Cb 0.73 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.55 2fki h ASP 97 CO 0.01 0.93 0.29 0.00 -2.88 0.00 0.00 179.24 177.59 2fki h ALA 98 N 0.83 0.86 -0.71 -0.78 0.00 -1.43 -0.45 119.26 117.58 2fki h ALA 98 Ca 0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2fki h ALA 98 Cb 0.61 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2fki h ALA 98 CO 0.04 0.45 0.31 0.77 0.00 0.00 0.00 179.25 180.82 2fki h SER 99 N 0.93 0.96 -0.16 0.00 0.02 -1.51 -1.35 113.55 112.45 2fki h SER 99 Ca 0.23 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2fki h SER 99 Cb 0.16 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2fki h SER 99 CO -0.02 0.86 0.07 0.22 -1.14 0.00 0.00 176.83 176.81 2fki h TYR 100 N 1.01 0.24 -0.62 3.45 3.20 -1.00 -2.48 116.97 120.77 2fki h TYR 100 Ca 0.24 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.14 2fki h TYR 100 Cb 0.18 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 2fki h TYR 100 CO 0.01 0.29 0.35 1.96 -1.64 0.00 0.00 178.16 179.13 2fki h GLN 101 N 0.12 0.64 -0.60 1.82 1.08 -0.88 -1.68 115.11 115.61 2fki h GLN 101 Ca 0.05 -0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.26 2fki h GLN 101 Cb 0.14 -0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 27.38 2fki h GLN 101 CO -0.01 0.42 0.34 1.96 -0.95 0.00 0.00 178.83 180.60 2fki h GLN 102 N 0.66 0.62 -0.71 1.46 4.20 -1.11 -1.86 115.11 118.37 2fki h GLN 102 Ca 0.27 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.87 2fki h GLN 102 Cb 0.13 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 2fki h GLN 102 CO -0.15 0.41 0.17 0.00 -0.67 0.00 0.00 178.83 178.59 2fki h ALA 103 N 1.30 0.95 -0.56 3.87 0.00 -0.94 -2.83 119.26 121.05 2fki h ALA 103 Ca 0.26 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2fki h ALA 103 Cb 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2fki h ALA 103 CO -0.15 0.67 0.22 0.28 0.00 0.00 0.00 179.25 180.26 2fki h VAL 104 N 1.08 1.23 0.00 0.00 2.07 -0.79 -2.52 116.25 117.31 2fki h VAL 104 Ca 0.22 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2fki h VAL 104 Cb 0.38 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2fki h VAL 104 CO 0.00 0.27 0.00 0.78 0.02 0.00 0.00 177.57 178.65 2fki h ASN 105 N 0.77 0.00 0.40 0.57 2.35 -1.20 -2.00 115.58 116.47 2fki h ASN 105 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2fki h ASN 105 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2fki h ASN 105 CO -0.01 0.00 -0.45 0.18 -1.65 0.00 0.00 177.43 175.49 2fki n LEU 106 N -2.88 0.68 -4.87 1.61 4.77 -0.97 -4.91 117.00 110.43 2fki n LEU 106 Ca 0.01 -0.10 -0.30 0.00 -0.03 0.00 0.00 56.01 55.58 2fki n LEU 106 Cb 0.28 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2fki n LEU 106 CO 0.25 0.15 0.50 -0.76 -1.33 0.00 0.00 177.39 176.20 2fki s LEU 107 N -2.86 3.74 0.91 2.23 1.43 -0.75 -5.06 118.68 118.33 2fki s LEU 107 Ca 0.15 1.20 -0.10 0.00 -1.03 0.00 0.00 54.13 54.35 2fki s LEU 107 Cb 0.18 -4.11 0.15 0.00 0.03 0.00 0.00 46.19 42.44 2fki s LEU 107 CO 0.66 -0.48 1.14 -2.84 0.23 0.00 0.00 176.35 175.06 2fki s PRO 108 N -4.05 1.02 0.17 1.29 0.02 -1.26 -4.71 135.00 127.47 2fki s PRO 108 Ca 0.52 1.52 -0.15 0.00 0.02 0.00 0.00 61.00 62.91 2fki s PRO 108 Cb -0.10 -1.73 0.12 0.00 0.02 0.00 0.00 34.50 32.80 2fki s PRO 108 CO 0.34 -2.62 1.71 0.93 -0.33 0.00 0.00 177.00 177.03 2fki h GLU 109 N -1.86 0.16 -0.34 5.54 4.39 -1.97 -0.23 114.58 120.28 2fki h GLU 109 Ca -0.44 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.32 2fki h GLU 109 Cb 1.27 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.82 2fki h GLU 109 CO 0.42 0.11 -0.09 0.93 -1.16 0.00 0.00 179.01 179.22 2fki h GLU 110 N 0.17 -0.01 -0.53 2.33 3.07 -2.02 -1.90 114.58 115.70 2fki h GLU 110 Ca 0.20 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.94 2fki h GLU 110 Cb 0.26 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 2fki h GLU 110 CO -0.29 -0.01 -0.13 0.87 -1.40 0.00 0.00 179.01 178.05 2fki h LYS 111 N -0.01 1.02 -0.59 2.33 6.56 -1.80 -3.11 116.57 120.97 2fki h LYS 111 Ca 0.16 -0.39 0.00 0.00 -1.06 0.00 0.00 60.65 59.36 2fki h LYS 111 Cb 0.26 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 31.84 2fki h LYS 111 CO -0.36 1.08 0.37 -0.09 -2.06 0.00 0.00 179.45 178.40 2fki h ARG 112 N 0.89 0.79 -0.26 3.15 2.43 -0.34 -2.75 114.38 118.28 2fki h ARG 112 Ca 0.13 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2fki h ARG 112 Cb 0.71 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2fki h ARG 112 CO 0.05 0.54 0.13 0.87 -1.51 0.00 0.00 179.97 180.05 2fki h LYS 113 N 0.81 0.27 -0.52 0.20 1.79 -1.29 -2.72 116.57 115.11 2fki h LYS 113 Ca 0.21 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2fki h LYS 113 Cb -0.06 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.50 2fki h LYS 113 CO -0.04 0.18 0.33 -0.07 -1.08 0.00 0.00 179.45 178.77 2fki h LEU 114 N 0.28 0.60 -1.39 2.94 3.38 -1.59 -1.83 115.31 117.71 2fki h LEU 114 Ca 0.11 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2fki h LEU 114 Cb 0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2fki h LEU 114 CO -0.07 0.45 -0.16 -0.07 0.09 0.00 0.00 178.44 178.68 2fki h LEU 115 N 0.70 0.19 -0.10 1.67 3.38 -1.46 -2.50 115.31 117.20 2fki h LEU 115 Ca 0.19 -0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.90 2fki h LEU 115 Cb -0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2fki h LEU 115 CO -0.04 0.38 -1.00 0.58 0.09 0.00 0.00 178.44 178.45 2fki h VAL 116 N 0.19 1.57 0.00 1.22 2.07 -1.12 -3.29 116.25 116.89 2fki h VAL 116 Ca 0.04 -2.98 -0.13 0.00 0.82 0.00 0.00 66.70 64.44 2fki h VAL 116 Cb 0.41 2.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 2fki h VAL 116 CO 0.03 0.86 -0.62 1.56 0.02 0.00 0.00 177.57 179.42 2fki h GLN 117 N 0.06 0.00 0.00 1.57 4.20 -0.93 -3.52 115.11 116.49 2fki h GLN 117 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2fki h GLN 117 Cb 1.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.48 2fki h GLN 117 CO 0.15 0.62 0.00 1.28 -0.67 0.00 0.00 178.83 180.21