#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 3.01 0.25 1.12 -4.23 -1.26 -5.00 115.64 109.53 2fki s THR 2 Ca 0.00 -1.02 0.25 0.00 -1.18 0.00 0.00 61.69 59.74 2fki s THR 2 Cb 0.00 -3.01 0.24 0.00 1.34 0.00 0.00 72.50 71.07 2fki s THR 2 CO 0.00 -0.00 1.91 0.40 -0.54 0.00 0.00 174.62 176.39 2fki h ILE 3 N 0.67 0.60 -0.64 2.99 1.08 -2.02 -2.71 117.51 117.48 2fki h ILE 3 Ca -0.40 -0.94 0.01 0.00 -0.39 0.00 0.00 64.86 63.14 2fki h ILE 3 Cb 1.28 1.62 -0.03 0.00 -3.07 0.00 0.00 36.82 36.61 2fki h ILE 3 CO 0.46 0.20 0.42 -1.28 -0.69 0.00 0.00 178.15 177.26 2fki h SER 4 N 0.00 0.73 -0.44 1.72 0.87 -1.98 0.44 113.55 114.88 2fki h SER 4 Ca -0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2fki h SER 4 Cb 0.60 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 2fki h SER 4 CO 0.03 0.52 0.29 -0.33 -0.53 0.00 0.00 176.83 176.81 2fki h GLU 5 N 0.86 0.58 -0.02 2.24 4.39 -1.88 -1.73 114.58 119.01 2fki h GLU 5 Ca 0.24 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 2fki h GLU 5 Cb -0.09 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.43 2fki h GLU 5 CO -0.06 0.38 0.01 -0.07 -1.16 0.00 0.00 179.01 178.11 2fki h LEU 6 N 0.59 0.03 -0.26 1.33 -0.00 -1.38 -2.48 115.31 113.16 2fki h LEU 6 Ca 0.16 -0.23 0.04 0.00 -0.00 0.00 0.00 57.88 57.85 2fki h LEU 6 Cb -0.07 -0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 40.54 2fki h LEU 6 CO -0.04 0.26 -0.00 0.25 -0.00 0.00 0.00 178.44 178.91 2fki h LEU 7 N -0.19 -0.11 -0.66 1.67 7.12 -0.00 0.72 115.31 123.85 2fki h LEU 7 Ca 0.01 0.06 -0.00 0.00 0.13 0.00 0.00 57.88 58.07 2fki h LEU 7 Cb 0.23 0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 40.44 2fki h LEU 7 CO 0.00 -0.02 0.40 -0.61 -0.13 0.00 0.00 178.44 178.07 2fki h GLN 8 N 0.07 0.90 -0.12 1.25 4.15 -1.33 -1.73 115.11 118.31 2fki h GLN 8 Ca 0.12 -0.08 -0.10 0.00 0.77 0.00 0.00 58.65 59.36 2fki h GLN 8 Cb 0.16 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 2fki h GLN 8 CO -0.21 0.65 -0.38 -0.92 -1.93 0.00 0.00 178.83 176.04 2fki h TYR 9 N 0.90 0.29 -0.23 3.99 3.20 -0.92 -2.34 116.97 121.86 2fki h TYR 9 Ca 0.24 -0.07 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 2fki h TYR 9 Cb -0.02 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 2fki h TYR 9 CO -0.01 0.60 -0.30 0.00 -1.64 0.00 0.00 178.16 176.81 2fki n MET 11 N -4.09 0.16 -0.01 0.00 2.81 -0.70 -2.13 117.12 113.16 2fki n MET 11 Ca -0.01 0.25 0.14 0.00 -1.81 0.00 0.00 57.70 56.27 2fki n MET 11 Cb 0.43 -1.74 0.62 0.00 -0.71 0.00 0.00 33.22 31.82 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 -1.70 2.60 -2.54 3.04 0.00 -0.74 -4.69 120.51 116.48 2fki n ALA 12 Ca 0.04 -0.36 -0.43 0.00 0.00 0.00 0.00 53.44 52.69 2fki n ALA 12 Cb 0.32 -1.26 -0.07 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.97 3.20 -0.15 0.00 -0.14 -0.90 -5.02 119.74 114.76 2fki s LYS 13 Ca 0.39 -0.55 -0.29 0.00 -1.36 0.00 0.00 55.97 54.16 2fki s LYS 13 Cb 0.20 -3.98 -0.06 0.00 -1.68 0.00 0.00 37.83 32.31 2fki s LYS 13 CO 0.32 -1.00 2.16 -2.30 -0.76 0.00 0.00 175.35 173.78 2fki n PRO 14 N 6.08 2.19 0.00 -1.68 -0.02 -1.26 -1.43 135.00 138.87 2fki n PRO 14 Ca -0.04 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2fki n PRO 14 Cb 0.47 -3.18 0.00 0.00 -0.02 0.00 0.00 33.50 30.77 2fki n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fki n GLY 15 N 5.47 1.53 3.70 -1.23 0.00 -1.26 -4.85 105.19 108.56 2fki n GLY 15 Ca 0.28 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.11 3.64 0.08 4.61 0.00 -0.52 -4.45 121.76 123.01 2fki s ALA 16 Ca 0.00 -0.71 0.08 0.00 0.00 0.00 0.00 51.96 51.33 2fki s ALA 16 Cb 0.00 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.81 2fki s ALA 16 CO 0.00 0.01 -0.21 -2.00 0.00 0.00 0.00 175.76 173.57 2fki s GLU 17 N 0.65 1.24 0.13 0.00 2.56 0.40 -4.73 118.70 118.94 2fki s GLU 17 Ca 0.10 -1.06 0.06 0.00 0.00 0.00 0.00 54.97 54.07 2fki s GLU 17 Cb -0.12 -1.43 -0.04 0.00 2.00 0.00 0.00 34.13 34.53 2fki s GLU 17 CO 0.01 0.35 -0.02 1.14 -0.56 0.00 0.00 175.26 176.18 2fki s GLN 18 N -1.57 2.39 -0.25 4.30 1.03 -1.26 -0.37 119.66 123.92 2fki s GLN 18 Ca 0.07 -1.00 -0.04 0.00 0.04 0.00 0.00 55.36 54.43 2fki s GLN 18 Cb -0.09 -2.41 0.08 0.00 0.03 0.00 0.00 33.01 30.62 2fki s GLN 18 CO 0.03 0.49 0.11 -1.12 -2.54 0.00 0.00 175.29 172.26 2fki s SER 19 N -2.58 3.20 -0.24 12.60 0.01 0.75 -4.96 113.70 122.47 2fki s SER 19 Ca 0.26 -1.09 -0.13 0.00 1.31 0.00 0.00 55.95 56.30 2fki s SER 19 Cb -0.10 -0.40 -0.04 0.00 0.21 0.00 0.00 66.02 65.68 2fki s SER 19 CO 0.17 -0.40 0.26 0.54 0.41 0.00 0.00 173.24 174.23 2fki s VAL 20 N 2.04 5.28 -0.54 3.43 0.11 -1.26 -0.38 120.40 129.08 2fki s VAL 20 Ca 0.06 0.39 -0.08 0.00 -2.93 0.00 0.00 61.98 59.42 2fki s VAL 20 Cb -0.16 -3.60 0.14 0.00 -1.53 0.00 0.00 36.38 31.23 2fki s VAL 20 CO -0.25 0.28 0.40 -2.28 -3.33 0.00 0.00 175.10 169.92 2fki s HIS 21 N 1.35 3.48 0.21 1.54 2.46 0.20 -4.98 115.29 119.55 2fki s HIS 21 Ca 0.12 -2.10 -0.30 0.00 0.47 0.00 0.00 55.06 53.24 2fki s HIS 21 Cb -0.14 -3.45 -0.10 0.00 -0.13 0.00 0.00 32.58 28.76 2fki s HIS 21 CO 0.07 -0.96 1.43 1.21 -2.47 0.00 0.00 174.74 174.02 2fki s ASN 22 N 2.15 6.71 0.00 9.88 2.47 -1.26 -3.57 114.94 131.32 2fki s ASN 22 Ca 0.10 2.57 0.00 0.00 0.42 0.00 0.00 52.86 55.95 2fki s ASN 22 Cb -0.23 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 36.96 2fki s ASN 22 CO -0.03 -0.68 0.00 -0.67 -3.72 0.00 0.00 177.10 172.00 2fki n ASP 23 N 2.84 0.00 -1.78 -4.21 2.03 -1.26 -4.89 116.55 109.29 2fki n ASP 23 Ca 0.08 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.40 2fki n ASP 23 Cb 0.41 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.82 2fki n ASP 23 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 2fki n TRP 24 N 0.00 0.14 -3.66 -0.67 4.27 -1.26 -4.99 117.44 111.27 2fki n TRP 24 Ca 0.00 -0.93 -0.25 0.00 -3.89 0.00 0.00 57.50 52.44 2fki n TRP 24 Cb 0.00 0.05 0.07 0.00 -1.36 0.00 0.00 31.31 30.07 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 0.05 -7.37 -2.35 -2.67 4.01 -1.26 -2.55 118.16 106.01 2fki n LYS 25 Ca -0.01 0.78 -0.39 0.00 -0.51 0.00 0.00 58.31 58.18 2fki n LYS 25 Cb 0.98 -5.80 -0.03 0.00 -0.51 0.00 0.00 35.03 29.68 2fki n LYS 25 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2fki s ALA 26 N -3.32 2.47 -0.25 7.82 0.00 -1.23 -3.77 121.76 123.47 2fki s ALA 26 Ca 0.56 -1.30 -0.06 0.00 0.00 0.00 0.00 51.96 51.16 2fki s ALA 26 Cb -0.26 -4.34 -0.01 0.00 0.00 0.00 0.00 23.12 18.52 2fki s ALA 26 CO 0.75 -3.66 0.02 0.99 0.00 0.00 0.00 175.76 173.86 2fki s THR 27 N 7.03 3.79 -0.37 0.00 2.01 0.21 -0.63 115.64 127.69 2fki s THR 27 Ca 0.49 -0.48 -0.14 0.00 0.31 0.00 0.00 61.69 61.88 2fki s THR 27 Cb -0.08 -2.82 -0.00 0.00 0.01 0.00 0.00 72.50 69.61 2fki s THR 27 CO 0.11 0.29 0.27 -1.10 -0.69 0.00 0.00 174.62 173.51 2fki s GLN 28 N 1.52 3.30 -0.35 4.92 -0.21 0.49 -1.13 119.66 128.20 2fki s GLN 28 Ca 0.05 -0.78 -0.14 0.00 0.02 0.00 0.00 55.36 54.51 2fki s GLN 28 Cb -0.15 -3.87 -0.01 0.00 1.00 0.00 0.00 33.01 29.97 2fki s GLN 28 CO 0.00 -0.57 0.30 0.42 -2.12 0.00 0.00 175.29 173.33 2fki s ILE 29 N 1.73 5.23 0.22 1.08 1.01 -0.64 -0.18 121.20 129.65 2fki s ILE 29 Ca 0.06 -0.13 -0.10 0.00 0.00 0.00 0.00 60.65 60.48 2fki s ILE 29 Cb -0.18 -3.79 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 2fki s ILE 29 CO 0.10 -0.08 0.38 -1.59 0.00 0.00 0.00 174.94 173.76 2fki s LYS 30 N 1.86 1.42 0.00 2.79 -2.85 0.49 -3.41 119.74 120.04 2fki s LYS 30 Ca 0.09 -1.31 0.00 0.00 -1.00 0.00 0.00 55.97 53.75 2fki s LYS 30 Cb -0.17 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 2fki s LYS 30 CO 0.11 -0.56 0.00 0.28 0.10 0.00 0.00 175.35 175.28 2fki n VAL 31 N -0.33 0.00 -0.16 1.79 0.31 -1.08 -0.46 118.33 118.41 2fki n VAL 31 Ca -0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.27 2fki n VAL 31 Cb 0.63 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.52 2fki n VAL 31 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2fki n GLU 32 N 0.00 -0.16 -0.48 5.55 -0.58 -1.26 -4.31 120.64 119.40 2fki n GLU 32 Ca 0.00 1.13 0.00 0.00 -0.42 0.00 0.00 57.16 57.87 2fki n GLU 32 Cb 0.00 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 2fki n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2fki n ASP 33 N -3.82 0.00 -4.54 1.62 2.03 -1.26 -5.07 116.55 105.51 2fki n ASP 33 Ca 0.01 -1.28 -0.41 0.00 0.52 0.00 0.00 54.79 53.62 2fki n ASP 33 Cb 0.10 -0.06 -0.03 0.00 -0.72 0.00 0.00 41.12 40.41 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 3.90 -0.69 5.18 1.01 -1.26 -4.95 120.40 123.60 2fki s VAL 34 Ca 0.00 -0.29 -0.27 0.00 0.00 0.00 0.00 61.98 61.42 2fki s VAL 34 Cb 0.00 -4.96 0.03 0.00 0.00 0.00 0.00 36.38 31.44 2fki s VAL 34 CO 0.00 -1.86 1.30 -0.22 0.00 0.00 0.00 175.10 174.32 2fki s LEU 35 N 5.12 3.25 -0.10 3.92 2.96 -1.26 -2.62 118.68 129.95 2fki s LEU 35 Ca 0.39 -0.24 0.17 0.00 -0.22 0.00 0.00 54.13 54.24 2fki s LEU 35 Cb -0.05 -2.73 -0.24 0.00 0.50 0.00 0.00 46.19 43.68 2fki s LEU 35 CO 0.02 -1.78 0.36 2.22 -1.32 0.00 0.00 176.35 175.85 2fki n PHE 36 N 9.35 0.34 -3.70 5.38 1.16 -1.22 -4.88 117.46 123.88 2fki n PHE 36 Ca 0.06 0.12 -0.11 0.00 -1.87 0.00 0.00 57.45 55.65 2fki n PHE 36 Cb 0.49 -0.97 -0.11 0.00 -1.61 0.00 0.00 39.48 37.28 2fki n PHE 36 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2fki s ALA 37 N -2.74 -1.03 -0.08 1.98 0.00 -1.22 -2.92 121.76 115.75 2fki s ALA 37 Ca -0.08 1.44 -0.01 0.00 0.00 0.00 0.00 51.96 53.32 2fki s ALA 37 Cb 0.08 -0.87 0.03 0.00 0.00 0.00 0.00 23.12 22.36 2fki s ALA 37 CO 0.84 -0.25 -0.04 0.00 0.00 0.00 0.00 175.76 176.31 2fki s MET 38 N 1.15 0.98 -0.10 0.00 0.23 -0.53 -1.62 119.30 119.40 2fki s MET 38 Ca -0.08 -0.06 -0.05 0.00 -1.03 0.00 0.00 55.69 54.48 2fki s MET 38 Cb -0.07 -1.16 -0.04 0.00 -1.53 0.00 0.00 34.83 32.03 2fki s MET 38 CO -0.10 -0.24 0.09 0.54 -2.03 0.00 0.00 175.02 173.28 2fki s VAL 39 N 1.66 5.04 0.08 5.16 0.11 -0.29 -0.62 120.40 131.55 2fki s VAL 39 Ca 0.01 0.01 -0.00 0.00 -2.93 0.00 0.00 61.98 59.07 2fki s VAL 39 Cb -0.13 -3.18 -0.04 0.00 -1.53 0.00 0.00 36.38 31.50 2fki s VAL 39 CO -0.05 0.60 -0.02 -0.54 -3.33 0.00 0.00 175.10 171.76 2fki s LYS 40 N -1.03 0.75 -0.20 1.54 3.01 0.61 -0.62 119.74 123.81 2fki s LYS 40 Ca 0.15 -1.31 0.01 0.00 -1.01 0.00 0.00 55.97 53.81 2fki s LYS 40 Cb -0.12 0.10 0.05 0.00 -1.01 0.00 0.00 37.83 36.85 2fki s LYS 40 CO 0.04 -0.12 -0.08 -2.00 0.51 0.00 0.00 175.35 173.70 2fki s GLU 41 N -3.93 1.85 -0.27 1.68 -6.30 -1.06 -0.54 118.70 110.13 2fki s GLU 41 Ca 0.12 -0.82 0.02 0.00 -2.50 0.00 0.00 54.97 51.79 2fki s GLU 41 Cb 0.07 -2.39 0.07 0.00 0.00 0.00 0.00 34.13 31.89 2fki s GLU 41 CO -0.06 -0.46 -0.05 0.54 0.02 0.00 0.00 175.26 175.25 2fki s VAL 42 N 1.43 1.85 -1.25 3.70 0.11 -0.28 -4.45 120.40 121.52 2fki s VAL 42 Ca -0.02 -1.57 -0.03 0.00 -2.93 0.00 0.00 61.98 57.43 2fki s VAL 42 Cb -0.17 -2.11 0.00 0.00 -1.53 0.00 0.00 36.38 32.57 2fki s VAL 42 CO -0.08 -0.19 1.05 1.21 -3.33 0.00 0.00 175.10 173.77 2fki n GLU 43 N 4.52 -7.03 -0.98 1.54 2.13 -1.26 -1.55 120.64 118.02 2fki n GLU 43 Ca -0.10 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.57 2fki n GLU 43 Cb 0.43 -5.87 0.00 0.00 0.27 0.00 0.00 31.44 26.27 2fki n GLU 43 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2fki n ASN 44 N -3.09 -0.78 -4.28 4.31 4.05 -1.26 -4.99 115.26 109.22 2fki n ASN 44 Ca -0.20 0.00 -0.39 0.00 0.45 0.00 0.00 54.58 54.44 2fki n ASN 44 Cb 0.64 -0.24 -0.11 0.00 1.23 0.00 0.00 39.78 41.29 2fki n ASN 44 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 2fki s ARG 45 N -0.05 2.61 -0.09 1.20 3.00 -0.59 -4.98 118.95 120.04 2fki s ARG 45 Ca 0.00 -1.29 -0.30 0.00 0.00 0.00 0.00 55.73 54.14 2fki s ARG 45 Cb 0.00 -3.60 -0.03 0.00 0.00 0.00 0.00 34.95 31.31 2fki s ARG 45 CO 0.00 -0.78 1.35 -2.14 0.00 0.00 0.00 175.30 173.73 2fki s PRO 46 N 1.41 4.26 -0.06 3.54 0.02 -1.26 -1.12 135.00 141.78 2fki s PRO 46 Ca 0.01 1.83 0.02 0.00 0.02 0.00 0.00 61.00 62.87 2fki s PRO 46 Cb -0.21 -3.72 0.02 0.00 0.02 0.00 0.00 34.50 30.60 2fki s PRO 46 CO 0.03 -0.66 -0.09 0.00 -0.33 0.00 0.00 177.00 175.95 2fki s ALA 47 N 3.12 1.09 -0.12 -1.55 0.00 0.30 -2.86 121.76 121.74 2fki s ALA 47 Ca 0.60 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.26 2fki s ALA 47 Cb -0.26 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 2fki s ALA 47 CO 0.21 0.01 -0.17 0.54 0.00 0.00 0.00 175.76 176.36 2fki s VAL 48 N 0.86 2.72 -0.29 0.00 0.11 -1.11 -0.28 120.40 122.41 2fki s VAL 48 Ca -0.11 -0.78 -0.09 0.00 -2.93 0.00 0.00 61.98 58.06 2fki s VAL 48 Cb -0.15 -2.11 -0.01 0.00 -1.53 0.00 0.00 36.38 32.57 2fki s VAL 48 CO 0.01 0.54 0.13 -0.44 -3.33 0.00 0.00 175.10 172.02 2fki s SER 49 N 0.32 5.48 0.33 3.54 0.01 0.21 -0.76 113.70 122.83 2fki s SER 49 Ca -0.13 -0.43 0.07 0.00 1.31 0.00 0.00 55.95 56.77 2fki s SER 49 Cb -0.16 -1.99 -0.02 0.00 0.21 0.00 0.00 66.02 64.06 2fki s SER 49 CO 0.07 -0.15 0.42 -0.76 0.41 0.00 0.00 173.24 173.22 2fki s LEU 50 N 1.62 3.92 0.50 2.44 1.02 0.25 -1.46 118.68 126.98 2fki s LEU 50 Ca 0.05 -0.23 -0.14 0.00 0.02 0.00 0.00 54.13 53.82 2fki s LEU 50 Cb -0.17 -2.64 -0.07 0.00 0.02 0.00 0.00 46.19 43.33 2fki s LEU 50 CO 0.06 -0.38 0.94 -0.54 0.02 0.00 0.00 176.35 176.45 2fki s LYS 51 N -4.11 3.87 -0.21 1.70 1.02 -1.15 -0.53 119.74 120.33 2fki s LYS 51 Ca 0.43 0.82 -0.32 0.00 0.02 0.00 0.00 55.97 56.91 2fki s LYS 51 Cb -0.09 -2.19 -0.09 0.00 -0.52 0.00 0.00 37.83 34.94 2fki s LYS 51 CO 0.30 -0.25 2.09 2.41 -0.92 0.00 0.00 175.35 178.98 2fki n THR 52 N -1.66 0.39 -4.39 2.17 -1.04 -0.60 -4.77 114.28 104.39 2fki n THR 52 Ca 0.05 -0.27 -0.28 0.00 -2.04 0.00 0.00 64.05 61.52 2fki n THR 52 Cb 0.54 -2.05 -0.13 0.00 -1.82 0.00 0.00 70.33 66.87 2fki n THR 52 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2fki s SER 53 N 6.49 3.08 0.20 8.00 0.01 -1.26 -5.03 113.70 125.18 2fki s SER 53 Ca 1.00 -0.72 -0.12 0.00 1.31 0.00 0.00 55.95 57.43 2fki s SER 53 Cb -0.62 -0.20 0.23 0.00 0.21 0.00 0.00 66.02 65.64 2fki s SER 53 CO 0.45 0.15 1.70 -0.65 0.41 0.00 0.00 173.24 175.30 2fki h PRO 54 N 4.00 0.19 -0.17 12.44 0.11 -1.98 0.87 132.00 147.45 2fki h PRO 54 Ca -0.49 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.46 2fki h PRO 54 Cb 1.17 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2fki h PRO 54 CO 0.39 0.13 -0.49 0.93 -0.21 0.00 0.00 178.00 178.75 2fki h GLU 55 N 0.20 0.46 -0.51 1.05 5.08 -1.98 0.23 114.58 119.10 2fki h GLU 55 Ca 0.28 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 2fki h GLU 55 Cb 0.40 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2fki h GLU 55 CO -0.39 0.85 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.24 2fki h LEU 56 N 0.36 1.03 -0.60 1.33 -0.00 -1.76 -1.49 115.31 114.19 2fki h LEU 56 Ca 0.02 -0.37 -0.15 0.00 -0.00 0.00 0.00 57.88 57.37 2fki h LEU 56 Cb 1.00 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.37 2fki h LEU 56 CO 0.09 1.17 -0.57 0.00 -0.00 0.00 0.00 178.44 179.12 2fki h ALA 57 N 0.90 0.79 0.15 1.53 0.00 -0.64 -2.68 119.26 119.30 2fki h ALA 57 Ca 0.13 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.52 2fki h ALA 57 Cb 0.74 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2fki h ALA 57 CO 0.06 0.70 -0.21 1.49 0.00 0.00 0.00 179.25 181.29 2fki h GLU 58 N 0.29 -0.40 -0.08 0.00 4.57 -0.31 0.44 114.58 119.10 2fki h GLU 58 Ca 0.00 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.24 2fki h GLU 58 Cb 1.09 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.74 2fki h GLU 58 CO 0.10 -0.27 -0.12 -0.07 -1.18 0.00 0.00 179.01 177.47 2fki h LEU 59 N -0.42 -0.37 -1.27 1.64 3.38 -1.25 -2.08 115.31 114.94 2fki h LEU 59 Ca 0.02 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2fki h LEU 59 Cb 0.42 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2fki h LEU 59 CO -0.09 -0.17 -0.30 0.25 0.09 0.00 0.00 178.44 178.23 2fki h LEU 60 N -0.17 0.11 -0.36 1.67 5.85 -1.33 0.51 115.31 121.60 2fki h LEU 60 Ca 0.07 -0.03 -0.18 0.00 0.84 0.00 0.00 57.88 58.57 2fki h LEU 60 Cb 0.27 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 2fki h LEU 60 CO -0.18 0.41 -0.60 -0.09 -0.34 0.00 0.00 178.44 177.64 2fki h ARG 61 N 0.10 0.72 0.03 1.25 9.65 -0.54 -3.36 114.38 122.23 2fki h ARG 61 Ca 0.01 -0.49 -0.37 0.00 -1.10 0.00 0.00 59.98 58.04 2fki h ARG 61 Cb 0.58 0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 29.18 2fki h ARG 61 CO 0.04 1.11 -2.12 1.04 2.80 0.00 0.00 179.97 182.84 2fki n GLN 62 N -3.96 0.64 -3.33 0.20 3.00 -0.82 -4.87 117.38 108.24 2fki n GLN 62 Ca -0.04 0.30 -0.39 0.00 -0.01 0.00 0.00 57.00 56.86 2fki n GLN 62 Cb 0.65 -1.61 -0.08 0.00 0.00 0.00 0.00 30.24 29.20 2fki n GLN 62 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2fki s GLN 63 N -2.49 4.07 -0.22 -1.09 -1.52 0.18 -5.05 119.66 113.55 2fki s GLN 63 Ca -0.32 0.19 -0.14 0.00 -1.95 0.00 0.00 55.36 53.14 2fki s GLN 63 Cb 0.09 -3.63 -0.04 0.00 -0.22 0.00 0.00 33.01 29.22 2fki s GLN 63 CO 0.61 -0.25 0.33 -1.01 -0.25 0.00 0.00 175.29 174.72 2fki s HIS 64 N 1.97 3.35 0.01 0.91 3.76 -1.26 -4.31 115.29 119.73 2fki s HIS 64 Ca 0.18 0.49 0.00 0.00 -0.15 0.00 0.00 55.06 55.58 2fki s HIS 64 Cb -0.15 -2.45 0.00 0.00 1.11 0.00 0.00 32.58 31.08 2fki s HIS 64 CO 0.09 -0.00 0.00 0.45 -0.85 0.00 0.00 174.74 174.43 2fki n SER 65 N 4.47 -3.63 0.00 1.40 2.88 -1.26 -4.85 113.62 112.63 2fki n SER 65 Ca -0.10 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2fki n SER 65 Cb 0.51 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 2fki n SER 65 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2fki n ASP 66 N -1.46 0.00 0.16 -3.46 9.92 -1.26 -4.35 116.55 116.10 2fki n ASP 66 Ca 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.27 2fki n ASP 66 Cb 0.03 0.00 0.26 0.00 -0.64 0.00 0.00 41.12 40.77 2fki n ASP 66 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 2fki h VAL 67 N 0.00 1.27 -2.96 2.53 3.04 -1.91 -3.48 116.25 114.75 2fki h VAL 67 Ca 0.00 -1.76 0.00 0.00 -1.01 0.00 0.00 66.70 63.93 2fki h VAL 67 Cb 0.00 1.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 2fki h VAL 67 CO 0.00 0.49 -0.44 -1.14 -1.01 0.00 0.00 177.57 175.47 2fki n ARG 68 N -3.82 -2.44 -1.78 4.17 0.63 -1.26 -3.41 116.66 108.75 2fki n ARG 68 Ca -0.01 2.03 -0.34 0.00 -0.92 0.00 0.00 57.85 58.60 2fki n ARG 68 Cb 0.53 -2.24 0.05 0.00 0.45 0.00 0.00 32.46 31.26 2fki n ARG 68 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2fki s PRO 69 N -1.59 2.71 0.31 -0.14 0.02 -1.26 -4.56 135.00 130.49 2fki s PRO 69 Ca 0.00 1.62 -0.30 0.00 0.02 0.00 0.00 61.00 62.35 2fki s PRO 69 Cb 0.00 -1.92 -0.11 0.00 0.02 0.00 0.00 34.50 32.49 2fki s PRO 69 CO 0.00 -1.36 1.57 -1.12 -0.33 0.00 0.00 177.00 175.76 2fki s SER 70 N -2.10 6.37 0.00 2.53 0.01 -1.26 -4.91 113.70 114.35 2fki s SER 70 Ca 0.72 2.96 0.00 0.00 1.31 0.00 0.00 55.95 60.94 2fki s SER 70 Cb -0.26 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.33 2fki s SER 70 CO 0.39 -0.90 0.00 -1.14 0.41 0.00 0.00 173.24 172.00 2fki n ARG 71 N 1.85 0.00 0.13 12.44 0.63 -1.26 -4.05 116.66 126.40 2fki n ARG 71 Ca 0.07 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 57.05 2fki n ARG 71 Cb 0.38 -0.53 0.03 0.00 0.45 0.00 0.00 32.46 32.80 2fki n ARG 71 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2fki h HIS 72 N 0.00 0.00 -2.12 -0.14 3.86 -2.01 -3.38 115.15 111.36 2fki h HIS 72 Ca 0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 2fki h HIS 72 Cb 0.61 0.00 -0.41 0.00 1.06 0.00 0.00 27.41 28.68 2fki h HIS 72 CO 0.00 0.34 -0.92 1.28 0.86 0.00 0.00 177.93 179.49 2fki n LEU 73 N -3.06 2.33 -1.14 2.43 4.77 -1.26 -5.08 117.00 115.99 2fki n LEU 73 Ca -0.00 -5.24 0.07 0.00 -0.03 0.00 0.00 56.01 50.81 2fki n LEU 73 Cb 0.68 0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.83 2fki n LEU 73 CO 0.39 2.25 -0.43 -3.20 -1.33 0.00 0.00 177.39 175.07 2fki n ASN 74 N 0.36 -6.17 0.07 -1.43 2.85 -1.26 -4.59 115.26 105.09 2fki n ASN 74 Ca 0.27 1.27 0.02 0.00 -0.11 0.00 0.00 54.58 56.03 2fki n ASN 74 Cb 0.52 -3.70 -0.04 0.00 1.24 0.00 0.00 39.78 37.80 2fki n ASN 74 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2fki h LYS 75 N -0.50 0.00 -5.24 1.20 3.64 -1.85 -3.36 116.57 110.47 2fki h LYS 75 Ca -0.08 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.78 2fki h LYS 75 Cb 0.90 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.58 2fki h LYS 75 CO 0.03 0.33 -0.58 0.00 -2.27 0.00 0.00 179.45 176.96 2fki s ALA 76 N -2.98 2.69 0.00 5.00 0.00 -1.26 -4.42 121.76 120.79 2fki s ALA 76 Ca -0.00 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.15 2fki s ALA 76 Cb 0.08 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.78 2fki s ALA 76 CO 0.79 -0.27 0.00 0.72 0.00 0.00 0.00 175.76 177.00 2fki n HIS 77 N -0.81 0.00 -3.67 0.00 8.25 -1.26 -4.80 115.22 112.94 2fki n HIS 77 Ca -0.05 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.05 2fki n HIS 77 Cb 0.66 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.72 2fki n HIS 77 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2fki s TRP 78 N 0.00 3.65 -0.11 4.41 0.52 -1.26 -1.55 118.94 124.59 2fki s TRP 78 Ca 0.00 0.75 0.01 0.00 0.02 0.00 0.00 56.10 56.89 2fki s TRP 78 Cb 0.00 -2.11 0.02 0.00 -1.15 0.00 0.00 33.47 30.22 2fki s TRP 78 CO 0.00 0.65 -0.14 -1.12 0.02 0.00 0.00 176.95 176.36 2fki s SER 79 N -1.27 2.42 -0.27 2.95 0.01 0.31 -4.72 113.70 113.12 2fki s SER 79 Ca 0.23 -0.42 -0.03 0.00 1.31 0.00 0.00 55.95 57.05 2fki s SER 79 Cb -0.14 -1.07 0.03 0.00 0.21 0.00 0.00 66.02 65.05 2fki s SER 79 CO 0.12 -0.00 -0.02 -0.89 0.41 0.00 0.00 173.24 172.85 2fki s THR 80 N 1.10 3.09 -0.36 1.44 2.01 -1.26 0.87 115.64 122.53 2fki s THR 80 Ca -0.04 -1.06 -0.19 0.00 0.31 0.00 0.00 61.69 60.70 2fki s THR 80 Cb -0.14 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 69.74 2fki s THR 80 CO -0.03 0.10 0.59 -0.69 -0.69 0.00 0.00 174.62 173.90 2fki s VAL 81 N 1.34 4.94 -0.53 3.82 1.01 0.06 -4.35 120.40 126.69 2fki s VAL 81 Ca -0.01 0.45 -0.23 0.00 0.00 0.00 0.00 61.98 62.19 2fki s VAL 81 Cb -0.17 -4.04 0.04 0.00 0.00 0.00 0.00 36.38 32.21 2fki s VAL 81 CO -0.02 -0.29 0.85 -0.31 0.00 0.00 0.00 175.10 175.32 2fki s TYR 82 N 2.58 2.88 0.08 5.22 1.51 -1.22 -2.74 117.35 125.66 2fki s TYR 82 Ca 0.22 -0.13 -0.31 0.00 -1.01 0.00 0.00 57.07 55.84 2fki s TYR 82 Cb -0.15 -3.90 -0.17 0.00 -0.11 0.00 0.00 41.96 37.63 2fki s TYR 82 CO 0.14 -1.23 1.64 -0.07 -1.11 0.00 0.00 175.55 174.92 2fki h LEU 83 N 10.57 -0.70 0.30 -1.29 3.38 -1.87 -3.46 115.31 122.24 2fki h LEU 83 Ca -0.26 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.61 2fki h LEU 83 Cb 1.08 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 2fki h LEU 83 CO 1.04 -0.47 -0.11 -0.67 0.09 0.00 0.00 178.44 178.32 2fki n ASP 84 N -5.43 -5.77 0.00 -0.43 2.03 -1.26 -0.90 116.55 104.80 2fki n ASP 84 Ca -0.12 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2fki n ASP 84 Cb 0.32 -3.86 0.00 0.00 -0.72 0.00 0.00 41.12 36.86 2fki n ASP 84 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2fki n GLY 85 N 0.57 0.54 0.43 0.27 0.00 -1.26 -4.89 105.19 100.86 2fki n GLY 85 Ca -0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.03 2fki n GLY 85 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2fki n SER 86 N 0.00 1.78 -4.32 1.61 2.88 -0.08 -5.00 113.62 110.49 2fki n SER 86 Ca 0.00 -3.22 -0.35 0.00 -1.33 0.00 0.00 58.87 53.97 2fki n SER 86 Cb 0.00 -0.44 -0.14 0.00 -0.75 0.00 0.00 64.21 62.88 2fki n SER 86 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2fki s LEU 87 N -2.53 2.87 0.07 2.46 1.98 -1.20 -5.07 118.68 117.27 2fki s LEU 87 Ca 0.32 -0.38 -0.37 0.00 -2.89 0.00 0.00 54.13 50.80 2fki s LEU 87 Cb 0.30 -1.72 -0.17 0.00 0.66 0.00 0.00 46.19 45.25 2fki s LEU 87 CO -0.03 0.00 1.31 -0.81 -1.89 0.00 0.00 176.35 174.93 2fki n PRO 88 N 4.64 0.99 -0.18 0.98 -0.04 -1.26 -4.87 135.00 135.26 2fki n PRO 88 Ca -0.18 0.36 -0.01 0.00 -0.04 0.00 0.00 63.50 63.62 2fki n PRO 88 Cb 0.51 -1.98 0.09 0.00 -0.04 0.00 0.00 33.50 32.07 2fki n PRO 88 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2fki h ASP 89 N 4.37 0.08 0.73 3.54 2.03 -2.01 -1.96 116.42 123.20 2fki h ASP 89 Ca -0.48 0.09 -0.11 0.00 -0.73 0.00 0.00 57.03 55.79 2fki h ASP 89 Cb 1.35 0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 39.94 2fki h ASP 89 CO 0.76 0.06 -0.54 0.28 -1.03 0.00 0.00 179.24 178.77 2fki h SER 90 N 0.30 0.00 0.35 4.15 0.02 -2.02 -2.72 113.55 113.63 2fki h SER 90 Ca 0.28 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.11 2fki h SER 90 Cb 0.37 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 2fki h SER 90 CO -0.33 0.54 -0.50 1.56 -1.14 0.00 0.00 176.83 176.96 2fki h GLN 91 N 0.00 0.17 -0.31 3.45 1.08 -1.73 -2.53 115.11 115.24 2fki h GLN 91 Ca -0.01 -0.10 0.05 0.00 -1.45 0.00 0.00 58.65 57.14 2fki h GLN 91 Cb 1.05 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.44 2fki h GLN 91 CO 0.07 0.63 0.05 0.82 -0.95 0.00 0.00 178.83 179.45 2fki h ILE 92 N 0.14 0.84 -0.60 2.54 2.04 -1.14 0.11 117.51 121.44 2fki h ILE 92 Ca 0.00 -0.05 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 2fki h ILE 92 Cb 0.93 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 2fki h ILE 92 CO 0.07 0.03 0.06 1.88 0.00 0.00 0.00 178.15 180.20 2fki h TYR 93 N 0.16 1.07 -0.94 1.37 0.05 -1.60 -2.99 116.97 114.09 2fki h TYR 93 Ca 0.14 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2fki h TYR 93 Cb 0.16 -0.29 -0.05 0.00 1.01 0.00 0.00 36.73 37.56 2fki h TYR 93 CO -0.18 0.92 0.59 -0.92 -1.05 0.00 0.00 178.16 177.52 2fki h TYR 94 N 0.94 1.21 -0.66 4.88 3.20 -0.89 -1.34 116.97 124.31 2fki h TYR 94 Ca 0.18 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 2fki h TYR 94 Cb 0.45 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 2fki h TYR 94 CO 0.03 0.79 0.18 -0.07 -1.64 0.00 0.00 178.16 177.45 2fki h LEU 95 N 1.29 0.96 0.29 2.82 3.38 -0.87 -0.28 115.31 122.91 2fki h LEU 95 Ca 0.34 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2fki h LEU 95 Cb -0.10 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.40 2fki h LEU 95 CO -0.07 0.92 -0.14 0.58 0.09 0.00 0.00 178.44 179.82 2fki h VAL 96 N 0.98 0.74 -0.33 1.22 2.07 -1.22 -2.46 116.25 117.26 2fki h VAL 96 Ca 0.21 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 2fki h VAL 96 Cb 0.32 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2fki h VAL 96 CO -0.00 0.09 -0.01 0.44 0.02 0.00 0.00 177.57 178.11 2fki h ASP 97 N -0.63 0.48 -0.85 0.57 3.32 -1.22 0.36 116.42 118.45 2fki h ASP 97 Ca -0.04 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 2fki h ASP 97 Cb 0.45 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 2fki h ASP 97 CO 0.07 0.56 0.53 0.00 -1.72 0.00 0.00 179.24 178.67 2fki h ALA 98 N 1.51 1.32 0.09 3.45 0.00 -0.97 0.37 119.26 125.01 2fki h ALA 98 Ca 0.11 -0.09 -0.29 0.00 0.00 0.00 0.00 54.91 54.64 2fki h ALA 98 Cb 0.33 -0.35 0.02 0.00 0.00 0.00 0.00 17.79 17.80 2fki h ALA 98 CO 0.01 0.60 -1.18 0.77 0.00 0.00 0.00 179.25 179.44 2fki h SER 99 N 1.17 0.84 -0.15 0.00 0.02 -0.89 -3.17 113.55 111.37 2fki h SER 99 Ca 0.31 -0.75 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 2fki h SER 99 Cb -0.07 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.20 2fki h SER 99 CO -0.06 1.56 0.01 0.22 -1.14 0.00 0.00 176.83 177.41 2fki h TYR 100 N 0.29 0.28 -0.06 3.45 3.20 -0.63 -2.95 116.97 120.55 2fki h TYR 100 Ca -0.17 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.67 2fki h TYR 100 Cb 1.85 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 40.03 2fki h TYR 100 CO 0.11 0.47 -0.03 0.37 -1.64 0.00 0.00 178.16 177.44 2fki h GLN 101 N 0.01 -0.02 -0.23 1.82 -0.00 -0.39 -1.91 115.11 114.40 2fki h GLN 101 Ca 0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.67 2fki h GLN 101 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.83 2fki h GLN 101 CO 0.01 -0.01 0.01 -0.56 0.00 0.00 0.00 178.83 178.28 2fki h GLN 102 N -0.02 0.33 -0.33 1.69 3.07 -1.61 -1.87 115.11 116.37 2fki h GLN 102 Ca 0.03 -0.05 -0.14 0.00 0.09 0.00 0.00 58.65 58.58 2fki h GLN 102 Cb 0.07 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.56 2fki h GLN 102 CO -0.08 0.34 -0.37 0.00 0.09 0.00 0.00 178.83 178.82 2fki h ALA 103 N 1.70 0.72 -0.46 0.06 0.00 -1.24 -2.85 119.26 117.20 2fki h ALA 103 Ca 0.08 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 2fki h ALA 103 Cb 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2fki h ALA 103 CO 0.00 0.66 0.00 0.28 0.00 0.00 0.00 179.25 180.20 2fki h VAL 104 N 0.64 1.24 0.00 0.00 2.07 -0.59 -1.72 116.25 117.88 2fki h VAL 104 Ca 0.06 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.62 2fki h VAL 104 Cb 0.92 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2fki h VAL 104 CO 0.08 0.34 0.00 0.78 0.02 0.00 0.00 177.57 178.79 2fki h ASN 105 N 0.70 0.00 0.08 0.57 4.21 -1.23 -2.24 115.58 117.67 2fki h ASN 105 Ca 0.14 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.65 2fki h ASN 105 Cb 0.43 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.63 2fki h ASN 105 CO 0.02 0.00 -0.38 0.18 -1.29 0.00 0.00 177.43 175.96 2fki n LEU 106 N -2.59 1.65 -4.82 1.61 4.77 -0.67 -4.93 117.00 112.02 2fki n LEU 106 Ca 0.01 -0.57 -0.35 0.00 -0.03 0.00 0.00 56.01 55.08 2fki n LEU 106 Cb 0.25 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.23 2fki n LEU 106 CO 0.22 0.31 0.47 -0.76 -1.33 0.00 0.00 177.39 176.30 2fki s LEU 107 N -2.47 4.24 0.92 2.23 1.43 -0.85 -5.07 118.68 119.11 2fki s LEU 107 Ca 0.21 1.46 -0.12 0.00 -1.03 0.00 0.00 54.13 54.65 2fki s LEU 107 Cb 0.19 -3.85 0.14 0.00 0.03 0.00 0.00 46.19 42.70 2fki s LEU 107 CO 0.55 -0.07 1.11 -2.84 0.23 0.00 0.00 176.35 175.32 2fki s PRO 108 N -2.35 1.08 0.15 1.29 0.02 -1.26 -4.78 135.00 129.16 2fki s PRO 108 Ca 0.48 0.50 -0.29 0.00 0.02 0.00 0.00 61.00 61.71 2fki s PRO 108 Cb -0.15 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 2fki s PRO 108 CO 0.20 -2.28 1.56 1.49 -0.33 0.00 0.00 177.00 177.63 2fki h GLU 109 N -1.57 -0.29 -0.63 5.54 4.57 -1.98 -1.87 114.58 118.35 2fki h GLU 109 Ca -0.51 0.02 0.13 0.00 -1.18 0.00 0.00 59.36 57.82 2fki h GLU 109 Cb 1.31 0.07 -0.11 0.00 -0.16 0.00 0.00 28.75 29.86 2fki h GLU 109 CO 0.59 -0.19 -0.09 1.49 -1.18 0.00 0.00 179.01 179.63 2fki h GLU 110 N -0.30 0.04 -0.24 1.92 4.81 -2.00 0.36 114.58 119.17 2fki h GLU 110 Ca 0.12 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.21 2fki h GLU 110 Cb 0.57 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 2fki h GLU 110 CO -0.65 0.03 -0.39 0.87 -0.73 0.00 0.00 179.01 178.14 2fki h LYS 111 N 0.05 0.68 0.00 1.92 6.56 -1.84 -3.05 116.57 120.88 2fki h LYS 111 Ca 0.32 -0.42 -0.04 0.00 -1.06 0.00 0.00 60.65 59.45 2fki h LYS 111 Cb 0.50 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.20 2fki h LYS 111 CO -0.60 1.04 -0.17 0.00 -2.06 0.00 0.00 179.45 177.66 2fki h ARG 112 N 0.40 0.00 -0.89 3.15 3.08 -0.44 -2.69 114.38 116.99 2fki h ARG 112 Ca 0.02 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.16 2fki h ARG 112 Cb 0.98 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.96 2fki h ARG 112 CO 0.09 0.17 0.54 0.87 -1.07 0.00 0.00 179.97 180.57 2fki h LYS 113 N 0.00 0.89 -0.22 0.04 1.79 -0.86 -0.64 116.57 117.57 2fki h LYS 113 Ca -0.00 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.34 2fki h LYS 113 Cb 0.40 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 2fki h LYS 113 CO 0.02 0.59 -0.14 -0.07 -1.08 0.00 0.00 179.45 178.78 2fki h LEU 114 N 0.92 0.51 -1.73 2.94 3.38 -1.60 -2.83 115.31 116.90 2fki h LEU 114 Ca 0.42 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2fki h LEU 114 Cb 0.32 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2fki h LEU 114 CO -0.23 0.83 0.05 -0.07 0.09 0.00 0.00 178.44 179.11 2fki h LEU 115 N 0.19 0.19 0.12 1.67 3.38 -1.26 -1.30 115.31 118.30 2fki h LEU 115 Ca 0.05 -0.01 -0.28 0.00 0.09 0.00 0.00 57.88 57.73 2fki h LEU 115 Cb 0.65 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2fki h LEU 115 CO 0.04 0.20 -1.28 0.58 0.09 0.00 0.00 178.44 178.07 2fki h VAL 116 N 0.22 1.46 0.00 1.22 2.07 -1.16 -3.31 116.25 116.76 2fki h VAL 116 Ca 0.06 -3.05 -0.13 0.00 0.82 0.00 0.00 66.70 64.40 2fki h VAL 116 Cb 0.07 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 2fki h VAL 116 CO -0.00 0.88 -0.63 1.56 0.02 0.00 0.00 177.57 179.40 2fki h GLN 117 N 0.07 0.00 0.00 1.57 4.20 -1.13 -3.52 115.11 116.30 2fki h GLN 117 Ca -0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.57 2fki h GLN 117 Cb 1.97 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.75 2fki h GLN 117 CO 0.19 0.63 0.00 1.28 -0.67 0.00 0.00 178.83 180.26