#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fki n THR 2 N 0.00 0.00 0.17 3.17 -2.24 -1.26 -5.04 114.28 109.08 2fki n THR 2 Ca 0.00 -2.24 0.03 0.00 -2.27 0.00 0.00 64.05 59.57 2fki n THR 2 Cb 0.00 0.33 0.43 0.00 -2.10 0.00 0.00 70.33 68.99 2fki n THR 2 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2fki h ILE 3 N 1.10 1.17 -0.19 2.28 1.08 -2.00 -2.97 117.51 117.98 2fki h ILE 3 Ca -0.39 -0.79 -0.01 0.00 -0.39 0.00 0.00 64.86 63.29 2fki h ILE 3 Cb 1.22 1.32 -0.01 0.00 -3.07 0.00 0.00 36.82 36.28 2fki h ILE 3 CO 0.63 0.24 0.08 -1.28 -0.69 0.00 0.00 178.15 177.13 2fki h SER 4 N 0.11 0.26 -0.66 1.72 0.87 -1.99 0.14 113.55 114.01 2fki h SER 4 Ca 0.02 -0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.39 2fki h SER 4 Cb 0.39 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 2fki h SER 4 CO 0.03 0.34 0.27 -0.33 -0.53 0.00 0.00 176.83 176.61 2fki h GLU 5 N 0.16 0.98 -0.87 2.24 3.07 -1.96 -0.95 114.58 117.25 2fki h GLU 5 Ca 0.06 -0.17 0.03 0.00 -0.50 0.00 0.00 59.36 58.79 2fki h GLU 5 Cb 0.16 -0.16 -0.05 0.00 -0.84 0.00 0.00 28.75 27.86 2fki h GLU 5 CO -0.01 0.81 0.56 1.25 -1.40 0.00 0.00 179.01 180.22 2fki h LEU 6 N 0.92 0.92 -0.37 1.33 6.46 -1.31 0.09 115.31 123.36 2fki h LEU 6 Ca 0.22 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.96 2fki h LEU 6 Cb 0.19 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.90 2fki h LEU 6 CO -0.02 0.63 0.16 0.25 -0.62 0.00 0.00 178.44 178.84 2fki h LEU 7 N 1.08 0.51 -1.07 2.25 7.12 -0.25 -1.88 115.31 123.07 2fki h LEU 7 Ca 0.35 -0.16 0.03 0.00 0.13 0.00 0.00 57.88 58.24 2fki h LEU 7 Cb 0.01 -0.13 -0.05 0.00 -0.53 0.00 0.00 40.66 39.96 2fki h LEU 7 CO -0.12 0.52 0.63 -0.61 -0.13 0.00 0.00 178.44 178.73 2fki h GLN 8 N 0.46 1.17 -0.44 1.25 4.15 -0.30 -0.84 115.11 120.55 2fki h GLN 8 Ca 0.12 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 2fki h GLN 8 Cb 0.17 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 2fki h GLN 8 CO -0.01 0.78 0.24 1.88 -1.93 0.00 0.00 178.83 179.78 2fki h TYR 9 N 1.21 0.62 -0.56 3.99 0.05 -0.66 -2.56 116.97 119.05 2fki h TYR 9 Ca 0.38 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 59.12 2fki h TYR 9 Cb 0.00 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 37.52 2fki h TYR 9 CO -0.00 0.48 0.26 0.00 -1.05 0.00 0.00 178.16 177.85 2fki h MET 11 N 0.80 0.00 -0.00 0.00 2.86 -0.80 -1.19 114.93 116.59 2fki h MET 11 Ca 0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2fki h MET 11 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2fki h MET 11 CO -0.02 0.00 -0.07 0.00 1.06 0.00 0.00 176.91 177.88 2fki n ALA 12 N -1.98 2.62 -2.58 6.32 0.00 -0.64 -4.70 120.51 119.57 2fki n ALA 12 Ca 0.01 -0.19 -0.40 0.00 0.00 0.00 0.00 53.44 52.85 2fki n ALA 12 Cb 0.28 -1.41 -0.08 0.00 0.00 0.00 0.00 19.45 18.23 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 -2.62 3.78 -0.16 0.00 -0.14 -0.45 -5.02 119.74 115.13 2fki s LYS 13 Ca 0.26 -0.09 -0.29 0.00 -1.36 0.00 0.00 55.97 54.50 2fki s LYS 13 Cb 0.20 -3.75 -0.06 0.00 -1.68 0.00 0.00 37.83 32.55 2fki s LYS 13 CO 0.49 -0.48 2.04 -2.14 -0.76 0.00 0.00 175.35 174.50 2fki s PRO 14 N 2.23 3.51 0.00 -1.68 0.02 -1.26 -1.99 135.00 135.83 2fki s PRO 14 Ca 0.17 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.29 2fki s PRO 14 Cb -0.16 -4.26 0.00 0.00 0.02 0.00 0.00 34.50 30.10 2fki s PRO 14 CO 0.12 -1.67 0.00 0.41 -0.33 0.00 0.00 177.00 175.53 2fki n GLY 15 N 5.26 2.42 3.62 0.52 0.00 -1.26 -4.98 105.19 110.77 2fki n GLY 15 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.33 3.29 0.18 4.61 0.00 -0.84 -4.01 121.76 122.66 2fki s ALA 16 Ca 0.00 0.09 0.09 0.00 0.00 0.00 0.00 51.96 52.14 2fki s ALA 16 Cb 0.00 -3.82 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 2fki s ALA 16 CO 0.00 -1.92 -0.08 -2.00 0.00 0.00 0.00 175.76 171.76 2fki s GLU 17 N 4.38 2.11 0.06 0.00 2.56 -0.19 -4.76 118.70 122.87 2fki s GLU 17 Ca 0.59 -1.26 -0.18 0.00 0.00 0.00 0.00 54.97 54.12 2fki s GLU 17 Cb -0.17 -2.18 -0.06 0.00 2.00 0.00 0.00 34.13 33.71 2fki s GLU 17 CO 0.26 0.43 0.53 -0.65 -0.56 0.00 0.00 175.26 175.27 2fki s GLN 18 N -2.88 4.12 -0.22 4.30 -0.21 -1.26 -2.97 119.66 120.54 2fki s GLN 18 Ca 0.25 0.65 -0.03 0.00 0.02 0.00 0.00 55.36 56.25 2fki s GLN 18 Cb -0.09 -3.22 0.11 0.00 1.00 0.00 0.00 33.01 30.81 2fki s GLN 18 CO 0.16 0.65 0.28 -1.12 -2.12 0.00 0.00 175.29 173.14 2fki s SER 19 N -1.13 0.97 -0.22 5.90 0.01 -0.81 -5.00 113.70 113.42 2fki s SER 19 Ca 0.28 -0.09 -0.14 0.00 1.31 0.00 0.00 55.95 57.31 2fki s SER 19 Cb -0.19 0.67 -0.04 0.00 0.21 0.00 0.00 66.02 66.67 2fki s SER 19 CO 0.18 -0.32 0.34 0.54 0.41 0.00 0.00 173.24 174.39 2fki s VAL 20 N 2.41 5.23 -0.26 3.43 0.11 -1.26 0.28 120.40 130.34 2fki s VAL 20 Ca 0.09 0.56 -0.10 0.00 -2.93 0.00 0.00 61.98 59.61 2fki s VAL 20 Cb -0.16 -3.67 -0.05 0.00 -1.53 0.00 0.00 36.38 30.98 2fki s VAL 20 CO -0.15 0.25 0.16 -2.28 -3.33 0.00 0.00 175.10 169.75 2fki s HIS 21 N 1.41 3.22 -0.73 1.54 2.46 -1.11 -5.01 115.29 117.07 2fki s HIS 21 Ca 0.16 0.05 -0.26 0.00 0.47 0.00 0.00 55.06 55.48 2fki s HIS 21 Cb -0.15 -2.31 -0.02 0.00 -0.13 0.00 0.00 32.58 29.97 2fki s HIS 21 CO 0.08 -0.12 1.84 1.21 -2.47 0.00 0.00 174.74 175.27 2fki s ASN 22 N 1.49 5.33 0.00 9.88 3.84 -1.26 -1.80 114.94 132.42 2fki s ASN 22 Ca 0.07 -0.11 0.00 0.00 0.21 0.00 0.00 52.86 53.02 2fki s ASN 22 Cb -0.15 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.01 2fki s ASN 22 CO 0.08 -2.43 0.00 -0.67 -2.79 0.00 0.00 177.10 171.29 2fki n ASP 23 N 12.79 0.00 0.17 -4.21 -0.08 -1.26 -4.86 116.55 119.10 2fki n ASP 23 Ca 0.26 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.62 2fki n ASP 23 Cb 0.50 0.00 0.09 0.00 2.34 0.00 0.00 41.12 44.05 2fki n ASP 23 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 2fki h TRP 24 N 0.00 0.00 -0.59 -0.67 4.06 -2.02 -3.47 115.95 113.26 2fki h TRP 24 Ca 0.00 0.00 -0.26 0.00 2.06 0.00 0.00 58.89 60.69 2fki h TRP 24 Cb 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 28.06 2fki h TRP 24 CO 0.00 0.24 -0.23 1.17 -3.56 0.00 0.00 178.44 176.06 2fki n LYS 25 N -3.13 -0.97 -2.46 0.49 4.81 -0.75 -4.89 118.16 111.26 2fki n LYS 25 Ca 0.02 0.93 -0.23 0.00 -0.87 0.00 0.00 58.31 58.16 2fki n LYS 25 Cb 0.63 -4.99 0.05 0.00 0.02 0.00 0.00 35.03 30.74 2fki n LYS 25 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2fki s ALA 26 N -2.41 3.58 -0.25 3.14 0.00 -1.26 -4.86 121.76 119.70 2fki s ALA 26 Ca 0.00 -1.14 -0.05 0.00 0.00 0.00 0.00 51.96 50.77 2fki s ALA 26 Cb 0.00 -2.31 -0.00 0.00 0.00 0.00 0.00 23.12 20.81 2fki s ALA 26 CO 0.00 -0.96 0.01 0.99 0.00 0.00 0.00 175.76 175.80 2fki s THR 27 N -2.96 3.64 -0.10 0.00 2.01 -0.44 -2.76 115.64 115.03 2fki s THR 27 Ca 0.58 -0.57 -0.18 0.00 0.31 0.00 0.00 61.69 61.84 2fki s THR 27 Cb -0.10 -2.76 -0.05 0.00 0.01 0.00 0.00 72.50 69.60 2fki s THR 27 CO 0.41 0.28 0.47 -1.10 -0.69 0.00 0.00 174.62 173.99 2fki s GLN 28 N 1.49 4.28 -0.38 4.92 1.11 0.14 -0.59 119.66 130.63 2fki s GLN 28 Ca 0.04 0.44 -0.11 0.00 0.01 0.00 0.00 55.36 55.74 2fki s GLN 28 Cb -0.16 -3.40 0.03 0.00 -1.01 0.00 0.00 33.01 28.47 2fki s GLN 28 CO -0.01 0.25 0.21 0.42 0.01 0.00 0.00 175.29 176.18 2fki s ILE 29 N 0.32 4.62 0.13 1.08 1.01 0.49 -1.93 121.20 126.93 2fki s ILE 29 Ca 0.25 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 60.07 2fki s ILE 29 Cb -0.15 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 2fki s ILE 29 CO 0.11 -0.25 -0.03 -1.59 0.00 0.00 0.00 174.94 173.18 2fki s LYS 30 N 1.56 0.96 0.00 2.79 0.00 -1.16 -2.90 119.74 121.00 2fki s LYS 30 Ca 0.02 -1.43 0.00 0.00 0.00 0.00 0.00 55.97 54.56 2fki s LYS 30 Cb -0.19 -0.21 0.00 0.00 0.00 0.00 0.00 37.83 37.43 2fki s LYS 30 CO 0.07 -0.08 0.00 0.28 0.00 0.00 0.00 175.35 175.62 2fki n VAL 31 N -0.13 0.00 0.13 1.79 0.31 -0.27 -1.02 118.33 119.14 2fki n VAL 31 Ca -0.09 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.17 2fki n VAL 31 Cb 0.62 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.51 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 -0.39 0.00 5.55 4.39 -2.00 -3.40 114.58 118.73 2fki h GLU 32 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2fki h GLU 32 Cb 0.00 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2fki h GLU 32 CO 0.00 -0.26 0.00 -3.47 -1.16 0.00 0.00 179.01 174.12 2fki n ASP 33 N -3.42 0.39 -4.27 1.42 2.03 -1.26 -5.02 116.55 106.43 2fki n ASP 33 Ca -0.05 -1.18 -0.41 0.00 0.52 0.00 0.00 54.79 53.67 2fki n ASP 33 Cb 0.18 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.48 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 -0.18 4.31 -0.07 5.18 1.01 -1.26 -5.06 120.40 124.33 2fki s VAL 34 Ca 0.00 -1.46 -0.26 0.00 0.00 0.00 0.00 61.98 60.26 2fki s VAL 34 Cb 0.00 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2fki s VAL 34 CO 0.00 -0.58 0.82 -0.22 0.00 0.00 0.00 175.10 175.12 2fki s LEU 35 N 1.43 4.30 -0.00 3.92 2.96 -1.26 -1.11 118.68 128.91 2fki s LEU 35 Ca 0.04 1.33 0.00 0.00 -0.22 0.00 0.00 54.13 55.27 2fki s LEU 35 Cb -0.24 -3.27 -0.00 0.00 0.50 0.00 0.00 46.19 43.18 2fki s LEU 35 CO 0.02 -0.23 -0.00 2.22 -1.32 0.00 0.00 176.35 177.04 2fki n PHE 36 N 4.17 0.00 -3.94 5.38 1.16 -1.14 -5.02 117.46 118.08 2fki n PHE 36 Ca 0.02 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.52 2fki n PHE 36 Cb 0.51 -0.01 -0.08 0.00 -1.61 0.00 0.00 39.48 38.28 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 -2.01 0.01 -0.11 1.98 0.00 -1.19 -3.96 121.76 116.48 2fki s ALA 37 Ca -0.00 -0.75 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 2fki s ALA 37 Cb 0.00 0.37 0.05 0.00 0.00 0.00 0.00 23.12 23.53 2fki s ALA 37 CO 0.01 -0.42 0.26 0.00 0.00 0.00 0.00 175.76 175.61 2fki s MET 38 N -3.54 0.23 -0.25 0.00 0.23 -0.76 -0.38 119.30 114.82 2fki s MET 38 Ca 0.03 0.55 -0.13 0.00 -1.03 0.00 0.00 55.69 55.10 2fki s MET 38 Cb 0.04 -0.11 -0.04 0.00 -1.53 0.00 0.00 34.83 33.19 2fki s MET 38 CO -0.09 -0.16 0.30 0.54 -2.03 0.00 0.00 175.02 173.58 2fki s VAL 39 N 1.24 5.24 -0.09 5.16 0.11 0.24 -0.04 120.40 132.27 2fki s VAL 39 Ca -0.09 0.44 -0.02 0.00 -2.93 0.00 0.00 61.98 59.38 2fki s VAL 39 Cb -0.10 -3.63 0.04 0.00 -1.53 0.00 0.00 36.38 31.16 2fki s VAL 39 CO -0.09 0.23 0.03 -1.59 -3.33 0.00 0.00 175.10 170.35 2fki s LYS 40 N 1.68 0.38 -0.11 1.54 -2.85 0.14 -1.33 119.74 119.19 2fki s LYS 40 Ca 0.13 0.10 -0.30 0.00 -1.00 0.00 0.00 55.97 54.90 2fki s LYS 40 Cb -0.15 -1.06 -0.01 0.00 -2.06 0.00 0.00 37.83 34.54 2fki s LYS 40 CO 0.09 -0.38 1.08 -2.00 0.10 0.00 0.00 175.35 174.23 2fki s GLU 41 N 2.03 4.37 -0.09 1.78 -6.30 -1.26 -1.61 118.70 117.62 2fki s GLU 41 Ca 0.04 1.48 -0.07 0.00 -2.50 0.00 0.00 54.97 53.92 2fki s GLU 41 Cb -0.13 -3.57 0.03 0.00 0.00 0.00 0.00 34.13 30.46 2fki s GLU 41 CO -0.05 -0.41 0.22 0.54 0.02 0.00 0.00 175.26 175.58 2fki s VAL 42 N 2.28 -0.01 -1.21 3.70 0.11 -0.18 -4.86 120.40 120.22 2fki s VAL 42 Ca 0.50 0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 59.59 2fki s VAL 42 Cb -0.20 -0.32 0.00 0.00 -1.53 0.00 0.00 36.38 34.34 2fki s VAL 42 CO 0.17 0.02 0.12 -0.62 -3.33 0.00 0.00 175.10 171.47 2fki n GLU 43 N 3.37 -1.83 -2.37 1.54 -0.58 -1.26 -1.76 120.64 117.75 2fki n GLU 43 Ca -0.17 0.69 -0.14 0.00 -0.42 0.00 0.00 57.16 57.13 2fki n GLU 43 Cb 0.57 -5.00 0.00 0.00 -0.57 0.00 0.00 31.44 26.43 2fki n GLU 43 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2fki n ASN 44 N -0.93 -4.30 -3.51 1.62 5.15 -1.26 -5.00 115.26 107.03 2fki n ASN 44 Ca -0.15 -0.05 -0.19 0.00 -0.60 0.00 0.00 54.58 53.59 2fki n ASN 44 Cb 0.62 -3.40 -0.13 0.00 -0.53 0.00 0.00 39.78 36.33 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 -4.82 0.17 -0.21 1.20 0.52 -0.72 -5.11 118.95 109.99 2fki s ARG 45 Ca 0.04 0.18 -0.29 0.00 -0.52 0.00 0.00 55.73 55.14 2fki s ARG 45 Cb -0.02 -1.26 -0.03 0.00 0.52 0.00 0.00 34.95 34.16 2fki s ARG 45 CO 0.05 -0.65 1.67 -2.14 0.02 0.00 0.00 175.30 174.26 2fki s PRO 46 N 2.30 3.77 0.13 3.54 0.02 -1.26 -1.01 135.00 142.49 2fki s PRO 46 Ca 0.06 1.74 0.06 0.00 0.02 0.00 0.00 61.00 62.88 2fki s PRO 46 Cb -0.16 -4.06 -0.04 0.00 0.02 0.00 0.00 34.50 30.26 2fki s PRO 46 CO -0.12 -1.33 -0.14 0.00 -0.33 0.00 0.00 177.00 175.08 2fki s ALA 47 N 5.35 1.58 -0.08 -1.55 0.00 -0.63 -3.79 121.76 122.62 2fki s ALA 47 Ca 0.74 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 51.39 2fki s ALA 47 Cb -0.26 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 2fki s ALA 47 CO 0.30 0.11 -0.17 0.54 0.00 0.00 0.00 175.76 176.54 2fki s VAL 48 N -2.21 2.74 -0.24 0.00 0.11 -1.03 0.24 120.40 120.02 2fki s VAL 48 Ca 0.11 -0.81 -0.09 0.00 -2.93 0.00 0.00 61.98 58.26 2fki s VAL 48 Cb -0.05 -2.09 -0.04 0.00 -1.53 0.00 0.00 36.38 32.68 2fki s VAL 48 CO 0.03 0.56 0.12 -0.44 -3.33 0.00 0.00 175.10 172.04 2fki s SER 49 N -0.12 5.63 0.55 3.54 0.01 0.94 0.26 113.70 124.50 2fki s SER 49 Ca -0.02 -0.05 0.05 0.00 1.31 0.00 0.00 55.95 57.24 2fki s SER 49 Cb -0.14 -2.01 0.04 0.00 0.21 0.00 0.00 66.02 64.12 2fki s SER 49 CO 0.04 0.02 0.40 -0.76 0.41 0.00 0.00 173.24 173.34 2fki s LEU 50 N 1.34 2.66 0.71 2.44 1.02 0.22 -1.83 118.68 125.24 2fki s LEU 50 Ca 0.06 -1.27 -0.01 0.00 0.02 0.00 0.00 54.13 52.93 2fki s LEU 50 Cb -0.15 -1.15 0.12 0.00 0.02 0.00 0.00 46.19 45.03 2fki s LEU 50 CO 0.05 -1.12 0.98 -0.54 0.02 0.00 0.00 176.35 175.74 2fki s LYS 51 N -4.28 1.75 -0.95 1.70 1.02 -1.25 -0.86 119.74 116.86 2fki s LYS 51 Ca 0.33 -1.05 -0.24 0.00 0.02 0.00 0.00 55.97 55.03 2fki s LYS 51 Cb -0.02 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.94 2fki s LYS 51 CO 0.21 -1.40 1.80 0.95 -0.92 0.00 0.00 175.35 175.99 2fki s THR 52 N -3.13 3.60 0.34 2.17 -4.23 -1.19 -4.73 115.64 108.48 2fki s THR 52 Ca 0.65 -0.52 0.09 0.00 -1.18 0.00 0.00 61.69 60.73 2fki s THR 52 Cb -0.06 -4.34 -0.05 0.00 1.34 0.00 0.00 72.50 69.39 2fki s THR 52 CO 0.44 -1.25 0.09 -0.44 -0.54 0.00 0.00 174.62 172.92 2fki s SER 53 N 7.06 4.47 0.03 3.99 0.01 -1.26 -4.85 113.70 123.16 2fki s SER 53 Ca 0.63 -0.87 -0.07 0.00 1.31 0.00 0.00 55.95 56.96 2fki s SER 53 Cb -0.04 -0.65 -0.01 0.00 0.21 0.00 0.00 66.02 65.53 2fki s SER 53 CO -0.03 -0.28 0.92 -2.65 0.41 0.00 0.00 173.24 171.61 2fki n PRO 54 N -1.07 -0.09 0.01 12.44 -0.02 -1.26 0.76 135.00 145.77 2fki n PRO 54 Ca -0.03 0.91 -0.03 0.00 -2.02 0.00 0.00 63.50 62.32 2fki n PRO 54 Cb 0.62 -1.36 0.21 0.00 -0.02 0.00 0.00 33.50 32.95 2fki n PRO 54 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2fki h GLU 55 N 0.00 0.49 -0.40 -0.52 3.07 -1.98 -2.01 114.58 113.23 2fki h GLU 55 Ca 0.03 -0.18 -0.12 0.00 -0.50 0.00 0.00 59.36 58.59 2fki h GLU 55 Cb 0.09 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 2fki h GLU 55 CO -0.20 0.69 -0.22 -0.07 -1.40 0.00 0.00 179.01 177.81 2fki h LEU 56 N 0.44 0.89 -0.15 1.33 -0.00 -1.32 0.23 115.31 116.72 2fki h LEU 56 Ca 0.07 -0.41 -0.03 0.00 -0.00 0.00 0.00 57.88 57.51 2fki h LEU 56 Cb 0.64 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.05 2fki h LEU 56 CO 0.05 1.11 -0.01 0.00 -0.00 0.00 0.00 178.44 179.59 2fki h ALA 57 N 0.81 0.20 -0.87 1.53 0.00 0.43 -2.58 119.26 118.78 2fki h ALA 57 Ca 0.09 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2fki h ALA 57 Cb 0.79 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2fki h ALA 57 CO 0.06 -0.09 0.58 0.93 0.00 0.00 0.00 179.25 180.73 2fki h GLU 58 N -0.00 1.15 -0.32 0.00 4.39 -1.28 -0.62 114.58 117.90 2fki h GLU 58 Ca 0.04 -0.07 0.07 0.00 0.34 0.00 0.00 59.36 59.74 2fki h GLU 58 Cb 0.39 -0.26 -0.07 0.00 -0.10 0.00 0.00 28.75 28.71 2fki h GLU 58 CO 0.01 0.76 -0.14 1.25 -1.16 0.00 0.00 179.01 179.74 2fki h LEU 59 N 1.18 -0.47 -1.09 1.33 5.85 -0.39 0.17 115.31 121.89 2fki h LEU 59 Ca 0.32 0.12 -0.10 0.00 0.84 0.00 0.00 57.88 59.06 2fki h LEU 59 Cb -0.13 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2fki h LEU 59 CO -0.07 -0.17 -0.45 0.25 -0.34 0.00 0.00 178.44 177.66 2fki h LEU 60 N -0.08 0.00 -0.10 2.25 6.46 -0.98 0.13 115.31 123.00 2fki h LEU 60 Ca 0.16 -0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.79 2fki h LEU 60 Cb 0.33 -0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.26 2fki h LEU 60 CO -0.37 0.46 -0.45 0.03 -0.62 0.00 0.00 178.44 177.48 2fki h ARG 61 N 0.00 0.48 0.00 1.25 2.47 -0.26 -3.40 114.38 114.93 2fki h ARG 61 Ca -0.00 -0.38 -0.35 0.00 -1.26 0.00 0.00 59.98 57.98 2fki h ARG 61 Cb 0.80 0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 29.14 2fki h ARG 61 CO 0.06 1.01 -1.96 1.04 0.56 0.00 0.00 179.97 180.68 2fki n GLN 62 N -4.28 0.57 -2.29 0.04 3.00 0.50 -4.83 117.38 110.10 2fki n GLN 62 Ca -0.08 0.38 -0.38 0.00 -0.01 0.00 0.00 57.00 56.91 2fki n GLN 62 Cb 0.57 -1.59 -0.03 0.00 0.00 0.00 0.00 30.24 29.19 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 -2.46 2.93 0.29 -1.09 -1.52 0.44 -4.75 119.66 113.50 2fki s GLN 63 Ca -0.34 0.00 0.22 0.00 -1.95 0.00 0.00 55.36 53.29 2fki s GLN 63 Cb 0.11 -4.49 0.12 0.00 -0.22 0.00 0.00 33.01 28.53 2fki s GLN 63 CO 0.52 -2.54 1.27 1.12 -0.25 0.00 0.00 175.29 175.42 2fki h HIS 64 N 12.15 0.00 -5.75 0.91 2.07 -1.85 -3.43 115.15 119.25 2fki h HIS 64 Ca -0.18 0.00 -0.41 0.00 -2.85 0.00 0.00 60.37 56.93 2fki h HIS 64 Cb 1.09 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.06 2fki h HIS 64 CO 1.12 0.08 -0.13 0.43 -3.07 0.00 0.00 177.93 176.36 2fki n SER 65 N -2.90 2.01 0.00 3.10 7.64 -1.26 -4.81 113.62 117.41 2fki n SER 65 Ca 0.01 -2.34 0.00 0.00 1.01 0.00 0.00 58.87 57.55 2fki n SER 65 Cb 0.58 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 2fki n SER 65 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2fki n ASP 66 N -2.18 0.00 -4.69 6.43 9.92 -1.26 -4.85 116.55 119.93 2fki n ASP 66 Ca 0.06 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.90 2fki n ASP 66 Cb 0.48 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.93 2fki n ASP 66 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2fki s VAL 67 N 0.00 3.22 -0.38 2.53 0.11 -1.26 -4.90 120.40 119.73 2fki s VAL 67 Ca 0.00 0.64 -0.02 0.00 -2.93 0.00 0.00 61.98 59.67 2fki s VAL 67 Cb 0.00 -3.41 0.09 0.00 -1.53 0.00 0.00 36.38 31.53 2fki s VAL 67 CO 0.00 -0.01 0.15 -0.13 -3.33 0.00 0.00 175.10 171.78 2fki s ARG 68 N 2.67 2.08 -0.92 1.54 1.81 -1.26 -5.00 118.95 119.86 2fki s ARG 68 Ca 0.72 -1.68 -0.24 0.00 -1.72 0.00 0.00 55.73 52.80 2fki s ARG 68 Cb -0.37 -3.47 -0.06 0.00 -0.45 0.00 0.00 34.95 30.60 2fki s ARG 68 CO 0.31 -0.95 1.97 -2.14 -0.68 0.00 0.00 175.30 173.80 2fki s PRO 69 N 1.16 2.50 -1.23 3.54 0.02 -1.26 -4.50 135.00 135.23 2fki s PRO 69 Ca 0.05 -0.33 -0.07 0.00 0.02 0.00 0.00 61.00 60.66 2fki s PRO 69 Cb -0.22 -5.07 0.20 0.00 0.02 0.00 0.00 34.50 29.44 2fki s PRO 69 CO -0.04 -3.49 1.81 0.45 -0.33 0.00 0.00 177.00 175.41 2fki n SER 70 N 14.26 5.69 -3.96 2.53 2.88 -1.26 -4.90 113.62 128.87 2fki n SER 70 Ca 0.41 -3.21 -0.31 0.00 -1.33 0.00 0.00 58.87 54.44 2fki n SER 70 Cb 0.47 -1.41 -0.15 0.00 -0.75 0.00 0.00 64.21 62.36 2fki n SER 70 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2fki s ARG 71 N -0.66 1.70 0.20 -1.46 6.06 -1.26 -4.80 118.95 118.73 2fki s ARG 71 Ca 0.38 -1.08 0.25 0.00 -2.50 0.00 0.00 55.73 52.78 2fki s ARG 71 Cb 0.09 -2.65 0.53 0.00 0.06 0.00 0.00 34.95 32.98 2fki s ARG 71 CO 0.02 -0.61 1.53 1.25 -2.50 0.00 0.00 175.30 174.99 2fki h HIS 72 N 7.92 0.00 -1.71 5.12 -0.00 -1.99 -3.44 115.15 121.05 2fki h HIS 72 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.19 2fki h HIS 72 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.47 2fki h HIS 72 CO 0.52 0.00 0.00 1.28 -0.00 0.00 0.00 177.93 179.73 2fki n LEU 73 N -2.32 0.00 -4.53 0.26 4.77 -1.26 -4.95 117.00 108.97 2fki n LEU 73 Ca 0.04 0.00 -0.53 0.00 -0.03 0.00 0.00 56.01 55.50 2fki n LEU 73 Cb 0.45 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.47 2fki n LEU 73 CO 0.34 0.00 1.64 0.59 -1.33 0.00 0.00 177.39 178.63 2fki n ASN 74 N 0.00 2.30 -0.02 -1.43 4.13 -1.26 -4.87 115.26 114.11 2fki n ASN 74 Ca 0.00 0.66 -0.12 0.00 1.68 0.00 0.00 54.58 56.80 2fki n ASN 74 Cb 0.00 -1.23 -0.10 0.00 -1.54 0.00 0.00 39.78 36.91 2fki n ASN 74 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2fki h LYS 75 N 10.53 -0.06 -3.35 3.52 1.79 -1.84 -3.12 116.57 124.04 2fki h LYS 75 Ca -0.34 0.00 -0.73 0.00 -2.18 0.00 0.00 60.65 57.41 2fki h LYS 75 Cb 1.32 0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 31.90 2fki h LYS 75 CO 1.00 0.57 2.72 0.00 -1.08 0.00 0.00 179.45 182.67 2fki n ALA 76 N -2.53 6.12 0.00 3.86 0.00 -1.26 -3.44 120.51 123.26 2fki n ALA 76 Ca -0.08 -4.02 0.00 0.00 0.00 0.00 0.00 53.44 49.34 2fki n ALA 76 Cb 0.33 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.63 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 3.92 -0.07 -5.24 0.00 -0.00 -1.26 -5.08 115.22 107.49 2fki n HIS 77 Ca 0.55 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.96 2fki n HIS 77 Cb 0.32 0.01 -0.16 0.00 -0.00 0.00 0.00 29.99 30.16 2fki n HIS 77 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2fki s TRP 78 N -1.16 2.33 -0.10 1.57 0.52 -1.18 -3.15 118.94 117.77 2fki s TRP 78 Ca 0.00 -0.61 0.02 0.00 0.02 0.00 0.00 56.10 55.53 2fki s TRP 78 Cb 0.00 -1.52 0.01 0.00 -1.15 0.00 0.00 33.47 30.81 2fki s TRP 78 CO 0.00 -0.16 -0.16 -1.12 0.02 0.00 0.00 176.95 175.54 2fki s SER 79 N -0.29 2.42 -0.35 2.95 0.01 -0.04 -4.58 113.70 113.82 2fki s SER 79 Ca 0.01 -0.42 -0.18 0.00 1.31 0.00 0.00 55.95 56.67 2fki s SER 79 Cb -0.12 -1.09 -0.00 0.00 0.21 0.00 0.00 66.02 65.02 2fki s SER 79 CO 0.02 0.03 0.49 -0.89 0.41 0.00 0.00 173.24 173.30 2fki s THR 80 N 0.89 5.04 -0.33 1.44 2.01 -1.26 -0.61 115.64 122.81 2fki s THR 80 Ca -0.09 0.26 -0.23 0.00 0.31 0.00 0.00 61.69 61.95 2fki s THR 80 Cb -0.15 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.41 2fki s THR 80 CO 0.00 -0.22 0.76 -0.69 -0.69 0.00 0.00 174.62 173.79 2fki s VAL 81 N 2.34 4.79 -0.16 3.82 1.01 0.14 -4.27 120.40 128.07 2fki s VAL 81 Ca 0.17 1.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.88 2fki s VAL 81 Cb -0.16 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 2fki s VAL 81 CO 0.13 -0.31 1.45 -0.31 0.00 0.00 0.00 175.10 176.06 2fki s TYR 82 N 2.96 2.43 -1.67 5.22 1.51 -1.26 -2.45 117.35 124.09 2fki s TYR 82 Ca 0.31 0.67 0.07 0.00 -1.01 0.00 0.00 57.07 57.11 2fki s TYR 82 Cb -0.14 -3.76 0.25 0.00 -0.11 0.00 0.00 41.96 38.19 2fki s TYR 82 CO 0.14 -2.55 1.13 1.28 -1.11 0.00 0.00 175.55 174.43 2fki n LEU 83 N 7.25 1.73 -3.95 -1.29 4.77 -1.25 -4.14 117.00 120.12 2fki n LEU 83 Ca 0.16 -0.87 -0.42 0.00 -0.03 0.00 0.00 56.01 54.84 2fki n LEU 83 Cb 0.45 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2fki n LEU 83 CO 0.60 0.36 2.24 -0.67 -1.33 0.00 0.00 177.39 178.59 2fki n ASP 84 N 0.25 4.53 -2.62 -1.43 2.03 -1.26 -4.39 116.55 113.66 2fki n ASP 84 Ca 0.09 -2.95 -0.17 0.00 0.52 0.00 0.00 54.79 52.28 2fki n ASP 84 Cb 0.32 -1.60 0.05 0.00 -0.72 0.00 0.00 41.12 39.16 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 3.83 -0.16 0.00 0.27 0.00 -1.26 -4.96 105.19 102.91 2fki n GLY 85 Ca 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.68 0.00 -4.82 1.61 2.88 -1.26 -5.05 113.62 105.31 2fki n SER 86 Ca -0.02 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.16 2fki n SER 86 Cb 0.56 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.96 2fki n SER 86 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2fki s LEU 87 N -2.05 4.36 0.90 2.46 1.43 -1.26 -5.07 118.68 119.46 2fki s LEU 87 Ca 0.00 1.32 -0.12 0.00 -1.03 0.00 0.00 54.13 54.30 2fki s LEU 87 Cb 0.00 -3.43 0.13 0.00 0.03 0.00 0.00 46.19 42.92 2fki s LEU 87 CO 0.00 0.08 1.10 -2.16 0.23 0.00 0.00 176.35 175.59 2fki s PRO 88 N -1.87 1.20 0.45 1.29 0.04 -1.26 -4.94 135.00 129.90 2fki s PRO 88 Ca 0.40 0.69 0.21 0.00 0.04 0.00 0.00 61.00 62.35 2fki s PRO 88 Cb -0.17 -1.81 1.06 0.00 0.04 0.00 0.00 34.50 33.62 2fki s PRO 88 CO 0.20 -2.24 1.93 0.38 0.04 0.00 0.00 177.00 177.31 2fki h ASP 89 N -1.55 0.00 0.48 6.66 2.03 -1.97 -2.20 116.42 119.86 2fki h ASP 89 Ca -0.50 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.71 2fki h ASP 89 Cb 1.29 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.78 2fki h ASP 89 CO 0.56 0.24 -0.41 0.77 -1.03 0.00 0.00 179.24 179.37 2fki h SER 90 N 0.00 0.00 0.35 4.15 4.64 -2.03 -2.79 113.55 117.87 2fki h SER 90 Ca -0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 2fki h SER 90 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 2fki h SER 90 CO 0.03 0.41 -0.51 -0.61 -0.87 0.00 0.00 176.83 175.28 2fki h GLN 91 N 0.00 0.19 -0.86 4.77 5.75 -1.76 -3.14 115.11 120.06 2fki h GLN 91 Ca -0.00 -0.11 0.08 0.00 -0.15 0.00 0.00 58.65 58.47 2fki h GLN 91 Cb 0.76 0.01 -0.07 0.00 1.07 0.00 0.00 27.48 29.25 2fki h GLN 91 CO 0.05 0.66 0.52 0.82 -2.65 0.00 0.00 178.83 178.23 2fki h ILE 92 N 0.15 0.98 -0.76 2.39 1.08 -1.52 -0.91 117.51 118.92 2fki h ILE 92 Ca 0.00 -0.31 0.05 0.00 -0.39 0.00 0.00 64.86 64.21 2fki h ILE 92 Cb 0.96 -0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.65 2fki h ILE 92 CO 0.08 0.17 0.46 1.88 -0.69 0.00 0.00 178.15 180.04 2fki h TYR 93 N 0.91 0.85 -0.28 1.37 0.05 -1.65 -1.10 116.97 117.13 2fki h TYR 93 Ca 0.39 0.03 -0.19 0.00 0.05 0.00 0.00 58.73 59.01 2fki h TYR 93 Cb 0.27 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2fki h TYR 93 CO -0.04 0.45 -0.57 -0.92 -1.05 0.00 0.00 178.16 176.02 2fki h TYR 94 N 0.86 1.11 -0.54 4.88 3.20 -1.44 -2.96 116.97 122.08 2fki h TYR 94 Ca 0.33 -0.41 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 2fki h TYR 94 Cb 0.13 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 2fki h TYR 94 CO -0.05 1.24 0.29 -0.07 -1.64 0.00 0.00 178.16 177.94 2fki h LEU 95 N 0.66 0.68 0.21 2.82 3.38 -0.68 -0.80 115.31 121.58 2fki h LEU 95 Ca 0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2fki h LEU 95 Cb 1.19 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2fki h LEU 95 CO 0.13 0.59 -0.10 0.58 0.09 0.00 0.00 178.44 179.72 2fki h VAL 96 N 0.73 0.85 -0.55 1.22 2.07 -1.24 -1.99 116.25 117.33 2fki h VAL 96 Ca 0.19 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 2fki h VAL 96 Cb 0.06 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2fki h VAL 96 CO -0.03 0.07 0.15 0.44 0.02 0.00 0.00 177.57 178.22 2fki h ASP 97 N -0.42 0.78 -0.67 0.57 3.32 -1.44 0.46 116.42 119.01 2fki h ASP 97 Ca -0.03 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 2fki h ASP 97 Cb 0.32 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 2fki h ASP 97 CO 0.05 0.75 0.26 0.00 -1.72 0.00 0.00 179.24 178.58 2fki h ALA 98 N 1.35 1.16 0.00 3.45 0.00 -1.05 0.27 119.26 124.45 2fki h ALA 98 Ca 0.18 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 2fki h ALA 98 Cb 0.27 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2fki h ALA 98 CO -0.00 0.60 -0.92 0.77 0.00 0.00 0.00 179.25 179.70 2fki h SER 99 N 1.00 0.40 -0.13 0.00 0.02 -0.76 -3.06 113.55 111.02 2fki h SER 99 Ca 0.23 -0.32 -0.16 0.00 -0.84 0.00 0.00 61.79 60.69 2fki h SER 99 Cb 0.22 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.64 2fki h SER 99 CO -0.02 1.13 -0.56 0.22 -1.14 0.00 0.00 176.83 176.46 2fki h TYR 100 N 0.17 0.82 -0.01 3.45 3.20 -0.60 -3.04 116.97 120.95 2fki h TYR 100 Ca -0.06 -0.35 0.01 0.00 3.14 0.00 0.00 58.73 61.46 2fki h TYR 100 Cb 1.55 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.68 2fki h TYR 100 CO 0.05 1.14 -0.02 0.37 -1.64 0.00 0.00 178.16 178.06 2fki h GLN 101 N 0.26 -0.04 -0.28 1.82 5.75 -0.53 -0.60 115.11 121.50 2fki h GLN 101 Ca -0.03 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 2fki h GLN 101 Cb 1.20 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.74 2fki h GLN 101 CO 0.12 -0.02 0.18 -0.56 -2.65 0.00 0.00 178.83 175.90 2fki h GLN 102 N -0.04 0.33 -0.31 1.69 3.07 -1.63 -0.81 115.11 117.41 2fki h GLN 102 Ca 0.01 -0.02 -0.12 0.00 0.09 0.00 0.00 58.65 58.62 2fki h GLN 102 Cb 0.06 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 27.54 2fki h GLN 102 CO -0.03 0.22 -0.26 0.00 0.09 0.00 0.00 178.83 178.85 2fki h ALA 103 N 1.83 0.46 -0.47 0.06 0.00 -1.24 -2.84 119.26 117.05 2fki h ALA 103 Ca 0.11 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2fki h ALA 103 Cb 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2fki h ALA 103 CO -0.02 0.45 0.17 0.28 0.00 0.00 0.00 179.25 180.13 2fki h VAL 104 N 0.49 1.18 0.00 0.00 2.07 -0.19 -1.02 116.25 118.78 2fki h VAL 104 Ca 0.06 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2fki h VAL 104 Cb 0.82 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2fki h VAL 104 CO 0.07 0.23 0.00 0.78 0.02 0.00 0.00 177.57 178.67 2fki h ASN 105 N 0.67 0.00 0.04 0.57 2.35 -1.04 -1.57 115.58 116.60 2fki h ASN 105 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2fki h ASN 105 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2fki h ASN 105 CO -0.01 0.00 -0.38 0.18 -1.65 0.00 0.00 177.43 175.57 2fki n LEU 106 N -2.63 1.87 -4.85 1.61 4.77 -0.44 -4.94 117.00 112.39 2fki n LEU 106 Ca 0.01 -0.66 -0.32 0.00 -0.03 0.00 0.00 56.01 55.01 2fki n LEU 106 Cb 0.26 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 2fki n LEU 106 CO 0.23 0.34 0.48 -0.76 -1.33 0.00 0.00 177.39 176.35 2fki s LEU 107 N -2.43 3.96 1.02 2.23 1.43 -0.59 -5.07 118.68 119.22 2fki s LEU 107 Ca 0.21 1.33 -0.12 0.00 -1.03 0.00 0.00 54.13 54.51 2fki s LEU 107 Cb 0.19 -4.17 0.20 0.00 0.03 0.00 0.00 46.19 42.44 2fki s LEU 107 CO 0.53 -0.30 1.09 -2.16 0.23 0.00 0.00 176.35 175.74 2fki s PRO 108 N -3.29 0.28 0.16 1.29 0.04 -1.26 -4.83 135.00 127.38 2fki s PRO 108 Ca 0.55 0.51 -0.17 0.00 0.04 0.00 0.00 61.00 61.93 2fki s PRO 108 Cb -0.10 -1.72 0.08 0.00 0.04 0.00 0.00 34.50 32.80 2fki s PRO 108 CO 0.21 -2.83 1.70 1.49 0.04 0.00 0.00 177.00 177.61 2fki h GLU 109 N -1.97 0.08 -0.19 4.56 4.22 -1.97 -2.72 114.58 116.59 2fki h GLU 109 Ca -0.55 -0.00 0.05 0.00 0.08 0.00 0.00 59.36 58.94 2fki h GLU 109 Cb 1.33 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.50 2fki h GLU 109 CO 0.57 0.05 -0.24 1.49 -2.18 0.00 0.00 179.01 178.71 2fki h GLU 110 N 0.08 -0.26 -0.54 1.92 4.81 -2.00 -2.44 114.58 116.15 2fki h GLU 110 Ca 0.17 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2fki h GLU 110 Cb 0.24 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2fki h GLU 110 CO -0.30 -0.17 0.22 0.87 -0.73 0.00 0.00 179.01 178.90 2fki h LYS 111 N -0.27 0.81 -0.68 1.92 6.56 -1.86 -1.71 116.57 121.33 2fki h LYS 111 Ca 0.12 -0.14 -0.03 0.00 -1.06 0.00 0.00 60.65 59.53 2fki h LYS 111 Cb 0.45 -0.13 -0.03 0.00 -0.57 0.00 0.00 32.23 31.95 2fki h LYS 111 CO -0.35 0.70 0.29 0.00 -2.06 0.00 0.00 179.45 178.03 2fki h ARG 112 N 0.73 1.01 -0.09 3.15 3.08 -1.26 -0.37 114.38 120.64 2fki h ARG 112 Ca 0.18 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 2fki h ARG 112 Cb 0.19 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2fki h ARG 112 CO -0.02 0.83 -0.45 0.87 -1.07 0.00 0.00 179.97 180.13 2fki h LYS 113 N 0.96 0.21 -0.41 0.04 1.79 -1.22 -2.82 116.57 115.13 2fki h LYS 113 Ca 0.23 -0.11 -0.13 0.00 -2.18 0.00 0.00 60.65 58.46 2fki h LYS 113 Cb 0.18 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 2fki h LYS 113 CO -0.02 0.62 -0.25 -0.07 -1.08 0.00 0.00 179.45 178.65 2fki h LEU 114 N 0.17 0.94 -1.54 2.94 3.38 -0.70 -3.03 115.31 117.46 2fki h LEU 114 Ca 0.01 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.57 2fki h LEU 114 Cb 0.86 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2fki h LEU 114 CO 0.07 1.16 0.31 -0.07 0.09 0.00 0.00 178.44 180.00 2fki h LEU 115 N 0.72 0.54 -1.02 1.67 3.38 -0.85 -1.09 115.31 118.67 2fki h LEU 115 Ca 0.09 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 2fki h LEU 115 Cb 0.83 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2fki h LEU 115 CO 0.07 0.39 -0.47 0.58 0.09 0.00 0.00 178.44 179.10 2fki h VAL 116 N 0.64 1.26 0.00 1.22 2.07 -1.42 -2.99 116.25 117.03 2fki h VAL 116 Ca 0.17 -1.66 -0.15 0.00 0.82 0.00 0.00 66.70 65.88 2fki h VAL 116 Cb -0.07 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2fki h VAL 116 CO -0.04 0.46 -0.73 1.56 0.02 0.00 0.00 177.57 178.85 2fki h GLN 117 N 0.00 0.00 -0.01 1.57 1.08 -1.11 -3.52 115.11 113.12 2fki h GLN 117 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2fki h GLN 117 Cb 0.87 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.30 2fki h GLN 117 CO 0.06 0.73 0.00 1.28 -0.95 0.00 0.00 178.83 179.95