#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 4.46 0.46 1.12 2.01 -1.26 -5.01 115.64 117.41 2fki s THR 2 Ca 0.00 -0.71 0.15 0.00 0.31 0.00 0.00 61.69 61.43 2fki s THR 2 Cb 0.00 -3.11 0.19 0.00 0.01 0.00 0.00 72.50 69.60 2fki s THR 2 CO 0.00 0.19 2.01 0.40 -0.69 0.00 0.00 174.62 176.54 2fki h ILE 3 N 2.83 1.11 -0.88 1.82 1.08 -2.00 -1.50 117.51 119.97 2fki h ILE 3 Ca -0.47 -0.54 0.04 0.00 -0.39 0.00 0.00 64.86 63.50 2fki h ILE 3 Cb 1.17 1.29 -0.05 0.00 -3.07 0.00 0.00 36.82 36.16 2fki h ILE 3 CO 0.63 0.15 0.58 0.28 -0.69 0.00 0.00 178.15 179.11 2fki h SER 4 N 0.00 0.93 -0.44 1.72 0.02 -1.99 0.21 113.55 114.00 2fki h SER 4 Ca -0.00 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 2fki h SER 4 Cb 0.28 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2fki h SER 4 CO 0.02 0.63 -0.16 -0.33 -1.14 0.00 0.00 176.83 175.85 2fki h GLU 5 N 1.07 0.89 -0.67 3.45 5.08 -1.69 -0.66 114.58 122.05 2fki h GLU 5 Ca 0.36 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2fki h GLU 5 Cb 0.08 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2fki h GLU 5 CO -0.12 1.01 0.32 1.25 -1.00 0.00 0.00 179.01 180.47 2fki h LEU 6 N 0.72 0.88 -0.72 1.33 7.12 -1.08 0.34 115.31 123.90 2fki h LEU 6 Ca 0.11 -0.14 -0.07 0.00 0.13 0.00 0.00 57.88 57.91 2fki h LEU 6 Cb 0.71 -0.23 -0.03 0.00 -0.53 0.00 0.00 40.66 40.59 2fki h LEU 6 CO 0.05 0.77 0.19 -0.07 -0.13 0.00 0.00 178.44 179.25 2fki h LEU 7 N 0.93 1.08 -0.91 2.25 3.38 -0.47 -0.82 115.31 120.75 2fki h LEU 7 Ca 0.23 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2fki h LEU 7 Cb 0.13 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 2fki h LEU 7 CO -0.03 1.03 0.43 -0.61 0.09 0.00 0.00 178.44 179.35 2fki h GLN 8 N 1.09 1.21 -0.40 1.13 4.15 -0.61 -1.00 115.11 120.67 2fki h GLN 8 Ca 0.23 -0.16 -0.06 0.00 0.77 0.00 0.00 58.65 59.42 2fki h GLN 8 Cb 0.36 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 2fki h GLN 8 CO -0.00 0.91 -0.01 -0.92 -1.93 0.00 0.00 178.83 176.88 2fki h TYR 9 N 1.20 0.68 0.00 3.99 3.20 -0.44 -2.42 116.97 123.19 2fki h TYR 9 Ca 0.29 -0.08 -0.10 0.00 3.14 0.00 0.00 58.73 61.98 2fki h TYR 9 Cb 0.08 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 2fki h TYR 9 CO 0.01 0.66 -0.46 0.00 -1.64 0.00 0.00 178.16 176.73 2fki n MET 11 N -3.56 0.08 0.00 0.00 2.81 -0.45 -1.36 117.12 114.63 2fki n MET 11 Ca -0.00 0.28 0.14 0.00 -1.81 0.00 0.00 57.70 56.31 2fki n MET 11 Cb 0.56 -1.63 0.47 0.00 -0.71 0.00 0.00 33.22 31.91 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 -1.60 2.68 -2.55 3.04 0.00 -0.91 -4.81 120.51 116.35 2fki n ALA 12 Ca 0.03 -0.45 -0.41 0.00 0.00 0.00 0.00 53.44 52.62 2fki n ALA 12 Cb 0.22 -1.14 -0.09 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 -2.10 3.62 0.17 0.00 -0.14 -0.47 -5.05 119.74 115.78 2fki s LYS 13 Ca 0.35 -0.32 -0.31 0.00 -1.36 0.00 0.00 55.97 54.33 2fki s LYS 13 Cb 0.21 -3.79 -0.09 0.00 -1.68 0.00 0.00 37.83 32.48 2fki s LYS 13 CO 0.37 -0.52 1.44 -2.14 -0.76 0.00 0.00 175.35 173.74 2fki s PRO 14 N 2.10 4.29 0.00 -1.68 0.02 -1.26 -2.68 135.00 135.78 2fki s PRO 14 Ca 0.13 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.36 2fki s PRO 14 Cb -0.16 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.18 2fki s PRO 14 CO 0.12 -0.45 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 2fki n GLY 15 N 3.10 0.93 3.68 0.52 0.00 -1.26 -5.00 105.19 107.15 2fki n GLY 15 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.61 3.49 -0.21 4.61 0.00 -1.09 -4.34 121.76 120.60 2fki s ALA 16 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 51.96 51.77 2fki s ALA 16 Cb 0.00 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 2fki s ALA 16 CO 0.00 -0.43 0.04 -2.00 0.00 0.00 0.00 175.76 173.36 2fki s GLU 17 N 1.62 3.71 -0.27 0.00 2.12 0.21 -4.97 118.70 121.12 2fki s GLU 17 Ca 0.32 -0.47 -0.14 0.00 0.36 0.00 0.00 54.97 55.04 2fki s GLU 17 Cb -0.16 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 30.99 2fki s GLU 17 CO 0.12 0.00 0.31 -0.65 -0.54 0.00 0.00 175.26 174.50 2fki s GLN 18 N 1.07 4.01 -0.29 4.30 -0.21 -1.26 -1.34 119.66 125.94 2fki s GLN 18 Ca 0.03 -0.07 0.01 0.00 0.02 0.00 0.00 55.36 55.35 2fki s GLN 18 Cb -0.14 -3.65 0.08 0.00 1.00 0.00 0.00 33.01 30.30 2fki s GLN 18 CO 0.02 -0.22 0.02 -1.12 -2.12 0.00 0.00 175.29 171.87 2fki s SER 19 N 1.62 4.17 -0.16 5.90 0.01 -0.10 -4.97 113.70 120.16 2fki s SER 19 Ca 0.12 -1.59 -0.29 0.00 1.31 0.00 0.00 55.95 55.50 2fki s SER 19 Cb -0.16 -1.22 -0.00 0.00 0.21 0.00 0.00 66.02 64.85 2fki s SER 19 CO 0.10 -0.33 1.02 0.54 0.41 0.00 0.00 173.24 174.99 2fki s VAL 20 N 1.31 4.73 -0.12 3.43 0.11 -1.26 -0.14 120.40 128.46 2fki s VAL 20 Ca 0.03 2.03 -0.09 0.00 -2.93 0.00 0.00 61.98 61.02 2fki s VAL 20 Cb -0.18 -4.31 -0.04 0.00 -1.53 0.00 0.00 36.38 30.31 2fki s VAL 20 CO -0.12 -0.07 0.19 -2.28 -3.33 0.00 0.00 175.10 169.48 2fki s HIS 21 N 2.52 3.57 0.00 1.54 2.46 -0.00 -4.95 115.29 120.42 2fki s HIS 21 Ca 0.47 0.56 0.00 0.00 0.47 0.00 0.00 55.06 56.56 2fki s HIS 21 Cb -0.17 -2.06 0.00 0.00 -0.13 0.00 0.00 32.58 30.22 2fki s HIS 21 CO 0.13 0.61 0.00 -1.71 -2.47 0.00 0.00 174.74 171.30 2fki n ASN 22 N 2.35 -0.85 0.00 9.88 2.85 -1.26 -1.64 115.26 126.59 2fki n ASN 22 Ca -0.18 -0.51 0.00 0.00 -0.11 0.00 0.00 54.58 53.78 2fki n ASN 22 Cb 0.54 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.56 2fki n ASN 22 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2fki n ASP 23 N -2.81 0.00 0.03 1.20 8.00 -1.26 -3.42 116.55 118.29 2fki n ASP 23 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 2fki n ASP 23 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2fki n ASP 23 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2fki n TRP 24 N 0.00 0.31 -2.12 1.24 7.02 -1.26 -4.95 117.44 117.68 2fki n TRP 24 Ca 0.00 0.09 -0.20 0.00 -1.02 0.00 0.00 57.50 56.37 2fki n TRP 24 Cb 0.00 -0.51 -0.04 0.00 -2.42 0.00 0.00 31.31 28.34 2fki n TRP 24 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2fki n LYS 25 N -2.11 -1.62 -2.77 -0.99 5.02 -0.65 -4.35 118.16 110.68 2fki n LYS 25 Ca 0.01 1.07 -0.42 0.00 -2.02 0.00 0.00 58.31 56.95 2fki n LYS 25 Cb 0.48 -5.64 -0.03 0.00 -0.02 0.00 0.00 35.03 29.82 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 -2.92 3.34 -0.30 7.82 0.00 -1.01 -4.63 121.76 124.06 2fki s ALA 26 Ca 0.00 0.34 -0.21 0.00 0.00 0.00 0.00 51.96 52.09 2fki s ALA 26 Cb 0.00 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 2fki s ALA 26 CO 0.00 -0.44 0.65 0.99 0.00 0.00 0.00 175.76 176.96 2fki s THR 27 N 1.58 4.92 -0.17 0.00 2.01 -0.03 -0.82 115.64 123.12 2fki s THR 27 Ca 0.46 0.90 -0.15 0.00 0.31 0.00 0.00 61.69 63.22 2fki s THR 27 Cb -0.19 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 2fki s THR 27 CO 0.20 -0.15 0.33 -1.10 -0.69 0.00 0.00 174.62 173.21 2fki s GLN 28 N 2.65 4.24 -0.34 4.92 -0.21 0.80 -0.72 119.66 131.00 2fki s GLN 28 Ca 0.26 0.14 -0.11 0.00 0.02 0.00 0.00 55.36 55.68 2fki s GLN 28 Cb -0.15 -3.46 0.01 0.00 1.00 0.00 0.00 33.01 30.41 2fki s GLN 28 CO 0.12 0.15 0.19 0.42 -2.12 0.00 0.00 175.29 174.05 2fki s ILE 29 N 0.72 4.67 0.20 1.08 1.01 -0.26 -0.93 121.20 127.70 2fki s ILE 29 Ca 0.18 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.27 2fki s ILE 29 Cb -0.14 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 2fki s ILE 29 CO 0.06 -0.08 -0.03 -1.59 0.00 0.00 0.00 174.94 173.29 2fki s LYS 30 N 1.60 1.24 0.00 2.79 -2.85 -0.45 -3.32 119.74 118.75 2fki s LYS 30 Ca 0.04 -1.60 0.00 0.00 -1.00 0.00 0.00 55.97 53.41 2fki s LYS 30 Cb -0.18 -0.60 0.00 0.00 -2.06 0.00 0.00 37.83 34.99 2fki s LYS 30 CO 0.07 -0.05 0.00 0.28 0.10 0.00 0.00 175.35 175.75 2fki n VAL 31 N -0.34 0.00 -0.02 1.79 0.31 0.01 0.67 118.33 120.74 2fki n VAL 31 Ca -0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.16 2fki n VAL 31 Cb 0.63 0.00 -0.07 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 -0.36 0.00 5.55 4.39 -1.99 -3.40 114.58 118.77 2fki h GLU 32 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2fki h GLU 32 Cb 0.00 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2fki h GLU 32 CO 0.00 -0.24 0.00 -3.47 -1.16 0.00 0.00 179.01 174.14 2fki n ASP 33 N -4.55 0.00 -4.53 1.42 2.03 -1.26 -5.06 116.55 104.60 2fki n ASP 33 Ca -0.04 -1.00 -0.43 0.00 0.52 0.00 0.00 54.79 53.84 2fki n ASP 33 Cb 0.26 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.62 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 4.36 -0.12 5.18 1.01 -1.26 -5.01 120.40 124.56 2fki s VAL 34 Ca 0.00 0.35 -0.23 0.00 0.00 0.00 0.00 61.98 62.10 2fki s VAL 34 Cb 0.00 -4.55 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 2fki s VAL 34 CO 0.00 -1.12 0.71 -0.22 0.00 0.00 0.00 175.10 174.47 2fki s LEU 35 N 4.02 4.25 -0.01 3.92 2.96 -1.26 -0.81 118.68 131.75 2fki s LEU 35 Ca 0.32 1.10 0.01 0.00 -0.22 0.00 0.00 54.13 55.33 2fki s LEU 35 Cb -0.12 -3.06 -0.01 0.00 0.50 0.00 0.00 46.19 43.49 2fki s LEU 35 CO 0.20 -0.21 -0.00 2.22 -1.32 0.00 0.00 176.35 177.24 2fki n PHE 36 N 4.35 0.00 -3.64 5.38 1.16 -1.21 -5.02 117.46 118.49 2fki n PHE 36 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.48 2fki n PHE 36 Cb 0.50 -0.06 -0.03 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 -2.03 -1.13 -0.10 1.98 0.00 -1.23 -3.07 121.76 116.18 2fki s ALA 37 Ca -0.01 -0.00 -0.23 0.00 0.00 0.00 0.00 51.96 51.72 2fki s ALA 37 Cb 0.00 0.83 0.05 0.00 0.00 0.00 0.00 23.12 24.01 2fki s ALA 37 CO 0.04 -0.78 0.56 0.00 0.00 0.00 0.00 175.76 175.59 2fki s MET 38 N -3.83 0.84 -0.19 0.00 0.23 -0.97 -1.11 119.30 114.27 2fki s MET 38 Ca 0.06 0.34 -0.07 0.00 -1.03 0.00 0.00 55.69 54.99 2fki s MET 38 Cb -0.01 0.39 -0.04 0.00 -1.53 0.00 0.00 34.83 33.65 2fki s MET 38 CO -0.07 -0.21 0.05 0.54 -2.03 0.00 0.00 175.02 173.30 2fki s VAL 39 N -0.71 4.55 -0.15 5.16 0.11 0.10 0.19 120.40 129.66 2fki s VAL 39 Ca -0.08 -0.11 0.02 0.00 -2.93 0.00 0.00 61.98 58.88 2fki s VAL 39 Cb -0.03 -3.06 0.01 0.00 -1.53 0.00 0.00 36.38 31.78 2fki s VAL 39 CO 0.05 0.44 -0.20 -0.54 -3.33 0.00 0.00 175.10 171.52 2fki s LYS 40 N 0.64 2.85 -0.40 1.54 1.02 0.19 -0.85 119.74 124.73 2fki s LYS 40 Ca 0.02 -0.79 -0.18 0.00 0.02 0.00 0.00 55.97 55.05 2fki s LYS 40 Cb -0.13 -2.37 0.01 0.00 -0.52 0.00 0.00 37.83 34.82 2fki s LYS 40 CO 0.02 -0.09 0.50 -2.00 -0.92 0.00 0.00 175.35 172.85 2fki s GLU 41 N 1.01 3.33 -0.10 1.68 -6.30 -1.26 -0.45 118.70 116.61 2fki s GLU 41 Ca -0.03 -0.48 -0.05 0.00 -2.50 0.00 0.00 54.97 51.92 2fki s GLU 41 Cb -0.15 -3.90 0.05 0.00 0.00 0.00 0.00 34.13 30.13 2fki s GLU 41 CO -0.05 -0.80 0.23 0.54 0.02 0.00 0.00 175.26 175.20 2fki s VAL 42 N 2.35 -0.09 -1.45 3.70 0.11 -0.54 -4.85 120.40 119.62 2fki s VAL 42 Ca 0.16 0.17 -0.01 0.00 -2.93 0.00 0.00 61.98 59.38 2fki s VAL 42 Cb -0.16 -0.36 0.00 0.00 -1.53 0.00 0.00 36.38 34.33 2fki s VAL 42 CO 0.15 0.07 0.13 -0.62 -3.33 0.00 0.00 175.10 171.50 2fki n GLU 43 N 4.38 -2.10 -0.70 1.54 -0.58 -1.26 -1.39 120.64 120.53 2fki n GLU 43 Ca -0.23 0.83 0.00 0.00 -0.42 0.00 0.00 57.16 57.34 2fki n GLU 43 Cb 0.52 -5.32 0.00 0.00 -0.57 0.00 0.00 31.44 26.07 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 -1.46 0.00 -4.48 1.62 5.15 -1.26 -4.99 115.26 109.84 2fki n ASN 44 Ca -0.18 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.38 2fki n ASN 44 Cb 0.64 -0.17 -0.10 0.00 -0.53 0.00 0.00 39.78 39.62 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 -0.06 3.08 -0.53 1.20 3.00 -0.48 -5.04 118.95 120.13 2fki s ARG 45 Ca 0.00 -0.94 -0.26 0.00 0.00 0.00 0.00 55.73 54.53 2fki s ARG 45 Cb 0.00 -3.94 0.03 0.00 0.00 0.00 0.00 34.95 31.04 2fki s ARG 45 CO 0.00 -0.68 1.02 -1.25 0.00 0.00 0.00 175.30 174.39 2fki s PRO 46 N 1.69 3.47 0.27 3.54 0.04 -1.26 -1.47 135.00 141.28 2fki s PRO 46 Ca 0.05 0.06 0.08 0.00 0.04 0.00 0.00 61.00 61.24 2fki s PRO 46 Cb -0.19 -4.00 -0.05 0.00 0.04 0.00 0.00 34.50 30.30 2fki s PRO 46 CO 0.10 -1.46 -0.10 0.00 0.04 0.00 0.00 177.00 175.58 2fki s ALA 47 N 4.22 2.41 -0.10 8.56 0.00 0.40 -4.29 121.76 132.96 2fki s ALA 47 Ca 0.37 -1.87 0.02 0.00 0.00 0.00 0.00 51.96 50.49 2fki s ALA 47 Cb -0.10 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 2fki s ALA 47 CO 0.24 0.03 -0.18 0.54 0.00 0.00 0.00 175.76 176.39 2fki s VAL 48 N -2.88 2.65 -0.18 0.00 0.11 -1.11 0.54 120.40 119.52 2fki s VAL 48 Ca 0.28 -0.82 -0.12 0.00 -2.93 0.00 0.00 61.98 58.39 2fki s VAL 48 Cb 0.01 -2.06 -0.05 0.00 -1.53 0.00 0.00 36.38 32.76 2fki s VAL 48 CO 0.12 0.55 0.23 -0.44 -3.33 0.00 0.00 175.10 172.23 2fki s SER 49 N 0.11 6.33 0.31 3.54 0.01 0.13 -0.33 113.70 123.80 2fki s SER 49 Ca -0.09 0.37 0.07 0.00 1.31 0.00 0.00 55.95 57.62 2fki s SER 49 Cb -0.15 -2.15 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 2fki s SER 49 CO 0.05 0.11 0.28 -0.76 0.41 0.00 0.00 173.24 173.34 2fki s LEU 50 N 0.54 3.72 0.00 2.44 1.02 0.12 -2.29 118.68 124.23 2fki s LEU 50 Ca 0.13 -0.38 0.00 0.00 0.02 0.00 0.00 54.13 53.90 2fki s LEU 50 Cb -0.12 -2.32 0.00 0.00 0.02 0.00 0.00 46.19 43.77 2fki s LEU 50 CO 0.02 -0.25 0.00 1.17 0.02 0.00 0.00 176.35 177.31 2fki n LYS 51 N -1.34 3.50 -1.81 1.70 4.81 -1.17 -1.88 118.16 121.97 2fki n LYS 51 Ca -0.04 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.99 2fki n LYS 51 Cb 0.59 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.62 2fki n LYS 51 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2fki n THR 52 N 0.00 3.00 -4.57 3.15 -2.24 -1.26 -4.66 114.28 107.71 2fki n THR 52 Ca 0.00 -2.80 -0.34 0.00 -2.27 0.00 0.00 64.05 58.65 2fki n THR 52 Cb 0.00 -2.44 -0.11 0.00 -2.10 0.00 0.00 70.33 65.69 2fki n THR 52 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2fki s SER 53 N 4.21 4.76 0.56 3.42 0.01 -1.26 -5.00 113.70 120.40 2fki s SER 53 Ca 0.53 0.00 0.33 0.00 1.31 0.00 0.00 55.95 58.13 2fki s SER 53 Cb 0.10 -1.22 1.62 0.00 0.21 0.00 0.00 66.02 66.73 2fki s SER 53 CO 0.02 0.36 2.10 -0.65 0.41 0.00 0.00 173.24 175.48 2fki h PRO 54 N 5.17 0.00 -0.89 12.44 0.11 -2.00 -2.94 132.00 143.89 2fki h PRO 54 Ca -0.49 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.73 2fki h PRO 54 Cb 1.18 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 2fki h PRO 54 CO 0.53 0.06 0.52 0.93 -0.21 0.00 0.00 178.00 179.83 2fki h GLU 55 N 0.00 0.80 -0.22 1.05 3.07 -1.97 -0.83 114.58 116.48 2fki h GLU 55 Ca -0.00 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.78 2fki h GLU 55 Cb 0.34 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 2fki h GLU 55 CO 0.01 0.53 -0.01 -0.07 -1.40 0.00 0.00 179.01 178.07 2fki h LEU 56 N 0.83 0.29 -0.34 1.33 3.38 -1.90 -2.31 115.31 116.59 2fki h LEU 56 Ca 0.45 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 58.18 2fki h LEU 56 Cb 0.48 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2fki h LEU 56 CO -0.28 0.35 -0.79 0.00 0.09 0.00 0.00 178.44 177.82 2fki h ALA 57 N 1.69 0.53 -0.32 1.53 0.00 -1.32 -3.25 119.26 118.12 2fki h ALA 57 Ca 0.07 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2fki h ALA 57 Cb 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2fki h ALA 57 CO 0.01 0.78 0.15 0.93 0.00 0.00 0.00 179.25 181.12 2fki h GLU 58 N 0.26 0.47 -0.52 0.00 4.39 -0.87 -3.19 114.58 115.12 2fki h GLU 58 Ca -0.04 -0.07 0.10 0.00 0.34 0.00 0.00 59.36 59.68 2fki h GLU 58 Cb 1.38 -0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.87 2fki h GLU 58 CO 0.14 0.44 0.06 -0.07 -1.16 0.00 0.00 179.01 178.41 2fki h LEU 59 N 0.38 -0.10 -1.31 1.33 3.38 -1.51 -2.00 115.31 115.49 2fki h LEU 59 Ca 0.11 0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.30 2fki h LEU 59 Cb 0.13 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 2fki h LEU 59 CO -0.01 -0.03 0.55 0.25 0.09 0.00 0.00 178.44 179.29 2fki h LEU 60 N 0.18 0.67 -0.56 1.67 6.46 -1.63 0.31 115.31 122.41 2fki h LEU 60 Ca 0.26 0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 57.96 2fki h LEU 60 Cb 0.38 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 2fki h LEU 60 CO -0.39 0.38 -0.43 0.03 -0.62 0.00 0.00 178.44 177.41 2fki h ARG 61 N 0.73 0.00 0.00 1.25 -0.00 -1.46 -3.38 114.38 111.53 2fki h ARG 61 Ca 0.40 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.88 2fki h ARG 61 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.52 2fki h ARG 61 CO -0.17 0.43 -0.82 1.04 0.00 0.00 0.00 179.97 180.45 2fki n GLN 62 N -3.39 0.50 -2.68 0.04 3.00 -0.21 -5.05 117.38 109.59 2fki n GLN 62 Ca 0.01 0.33 -0.10 0.00 -0.01 0.00 0.00 57.00 57.23 2fki n GLN 62 Cb 0.60 -1.53 -0.01 0.00 0.00 0.00 0.00 30.24 29.30 2fki n GLN 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2fki n GLN 63 N -4.52 1.45 -4.26 -1.09 1.13 0.92 -5.11 117.38 105.90 2fki n GLN 63 Ca -0.12 -1.22 -0.18 0.00 -1.94 0.00 0.00 57.00 53.54 2fki n GLN 63 Cb 0.42 0.26 -0.08 0.00 0.11 0.00 0.00 30.24 30.95 2fki n GLN 63 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 2fki s HIS 64 N -1.36 1.62 -0.48 1.08 3.76 -1.26 -4.17 115.29 114.48 2fki s HIS 64 Ca 0.04 -1.60 0.00 0.00 -0.15 0.00 0.00 55.06 53.35 2fki s HIS 64 Cb -0.00 -0.64 0.00 0.00 1.11 0.00 0.00 32.58 33.04 2fki s HIS 64 CO 0.02 -0.86 0.00 0.43 -0.85 0.00 0.00 174.74 173.48 2fki n SER 65 N -1.37 -4.43 -4.92 1.40 7.64 -1.26 -5.00 113.62 105.69 2fki n SER 65 Ca 0.06 0.11 -0.21 0.00 1.01 0.00 0.00 58.87 59.85 2fki n SER 65 Cb 0.63 -2.33 0.08 0.00 -1.01 0.00 0.00 64.21 61.58 2fki n SER 65 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2fki s ASP 66 N -2.38 4.85 -0.55 6.43 -4.77 -1.26 -4.79 116.67 114.20 2fki s ASP 66 Ca 0.00 -0.70 -0.17 0.00 -3.30 0.00 0.00 52.55 48.38 2fki s ASP 66 Cb 0.00 0.21 0.02 0.00 -1.09 0.00 0.00 42.92 42.07 2fki s ASP 66 CO 0.00 -1.51 0.64 0.52 0.70 0.00 0.00 175.17 175.51 2fki n VAL 67 N -2.43 -8.00 -3.69 2.11 0.31 -1.26 -4.98 118.33 100.39 2fki n VAL 67 Ca 0.16 0.33 -0.38 0.00 -0.01 0.00 0.00 64.34 64.43 2fki n VAL 67 Cb 0.61 -5.66 -0.11 0.00 -0.91 0.00 0.00 33.84 27.77 2fki n VAL 67 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2fki s ARG 68 N -2.96 2.35 0.29 5.55 0.52 -0.86 -4.93 118.95 118.91 2fki s ARG 68 Ca 0.20 -1.62 -0.02 0.00 -0.52 0.00 0.00 55.73 53.78 2fki s ARG 68 Cb -0.04 -3.67 0.44 0.00 0.52 0.00 0.00 34.95 32.20 2fki s ARG 68 CO 0.81 -1.00 1.92 -1.00 0.02 0.00 0.00 175.30 176.05 2fki h PRO 69 N 8.24 0.98 -5.46 3.54 0.13 -1.82 0.15 132.00 137.77 2fki h PRO 69 Ca -0.19 -0.11 -0.05 0.00 -0.87 0.00 0.00 66.00 64.78 2fki h PRO 69 Cb 1.07 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2fki h PRO 69 CO 0.73 0.72 -0.54 0.43 -0.23 0.00 0.00 178.00 179.11 2fki n SER 70 N -4.36 -7.63 0.00 1.44 7.64 -1.26 -4.38 113.62 105.07 2fki n SER 70 Ca 0.07 0.38 0.01 0.00 1.01 0.00 0.00 58.87 60.34 2fki n SER 70 Cb 0.10 -4.92 0.05 0.00 -1.01 0.00 0.00 64.21 58.44 2fki n SER 70 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2fki n ARG 71 N -0.46 0.55 0.18 1.43 -4.01 -1.26 -1.74 116.66 111.35 2fki n ARG 71 Ca 0.08 0.00 0.04 0.00 -1.04 0.00 0.00 57.85 56.92 2fki n ARG 71 Cb 0.49 -1.05 0.33 0.00 -3.04 0.00 0.00 32.46 29.20 2fki n ARG 71 CO 0.00 0.00 0.00 1.25 -3.04 0.00 0.00 177.63 175.84 2fki h HIS 72 N 0.00 0.00 0.00 2.89 2.76 -2.01 -3.38 115.15 115.42 2fki h HIS 72 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2fki h HIS 72 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 2fki h HIS 72 CO 0.00 0.42 0.00 1.28 -1.30 0.00 0.00 177.93 178.33 2fki n LEU 73 N -3.75 1.70 -3.25 0.26 4.77 -0.71 -5.04 117.00 110.98 2fki n LEU 73 Ca -0.01 0.05 0.04 0.00 -0.03 0.00 0.00 56.01 56.06 2fki n LEU 73 Cb 0.49 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 2fki n LEU 73 CO 0.38 -0.08 0.42 0.21 -1.33 0.00 0.00 177.39 176.99 2fki s ASN 74 N -1.35 -0.86 0.08 -1.43 3.04 -1.26 -5.10 114.94 108.06 2fki s ASN 74 Ca 0.00 0.71 -0.27 0.00 0.04 0.00 0.00 52.86 53.34 2fki s ASN 74 Cb 0.00 1.79 -0.11 0.00 -1.54 0.00 0.00 41.25 41.38 2fki s ASN 74 CO 0.00 -0.16 1.43 0.50 -3.04 0.00 0.00 177.10 175.83 2fki h LYS 75 N 7.89 -0.57 -3.35 0.43 3.64 -1.84 -3.18 116.57 119.58 2fki h LYS 75 Ca -0.18 0.04 -0.76 0.00 -1.27 0.00 0.00 60.65 58.48 2fki h LYS 75 Cb 1.15 0.13 -0.31 0.00 -0.41 0.00 0.00 32.23 32.79 2fki h LYS 75 CO 0.08 -0.38 0.29 0.00 -2.27 0.00 0.00 179.45 177.17 2fki n ALA 76 N -2.82 4.21 0.00 5.00 0.00 -1.26 -4.28 120.51 121.36 2fki n ALA 76 Ca -0.07 -4.67 0.00 0.00 0.00 0.00 0.00 53.44 48.71 2fki n ALA 76 Cb 0.32 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.62 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 2.32 -0.49 -4.65 0.00 -0.00 -1.23 -5.10 115.22 106.07 2fki n HIS 77 Ca 0.24 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 58.13 2fki n HIS 77 Cb 0.38 0.10 -0.17 0.00 -0.12 0.00 0.00 29.99 30.18 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 -1.43 2.06 -0.03 1.57 0.52 -1.20 -4.08 118.94 116.34 2fki s TRP 78 Ca 0.00 -0.92 0.04 0.00 0.02 0.00 0.00 56.10 55.24 2fki s TRP 78 Cb 0.00 -1.45 -0.00 0.00 -1.15 0.00 0.00 33.47 30.86 2fki s TRP 78 CO 0.00 -0.44 -0.16 0.45 0.02 0.00 0.00 176.95 176.82 2fki s SER 79 N 0.78 1.98 -0.17 2.95 0.15 -0.79 -4.58 113.70 114.01 2fki s SER 79 Ca -0.11 -0.32 -0.05 0.00 0.70 0.00 0.00 55.95 56.18 2fki s SER 79 Cb -0.16 -0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 63.65 2fki s SER 79 CO 0.02 0.15 -0.01 -0.89 1.20 0.00 0.00 173.24 173.71 2fki s THR 80 N -0.04 4.08 -0.54 6.45 2.01 0.53 0.14 115.64 128.26 2fki s THR 80 Ca -0.01 -0.29 -0.20 0.00 0.31 0.00 0.00 61.69 61.50 2fki s THR 80 Cb -0.10 -2.81 0.07 0.00 0.01 0.00 0.00 72.50 69.67 2fki s THR 80 CO 0.01 0.47 0.72 -0.69 -0.69 0.00 0.00 174.62 174.44 2fki s VAL 81 N 0.48 4.75 -0.09 3.82 1.01 0.55 -2.04 120.40 128.88 2fki s VAL 81 Ca -0.02 -0.48 -0.24 0.00 0.00 0.00 0.00 61.98 61.24 2fki s VAL 81 Cb -0.14 -4.41 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 2fki s VAL 81 CO 0.02 -0.98 0.75 -0.31 0.00 0.00 0.00 175.10 174.59 2fki s TYR 82 N 2.95 3.55 0.00 5.22 1.51 -1.26 -2.77 117.35 126.55 2fki s TYR 82 Ca 0.17 1.28 0.00 0.00 -1.01 0.00 0.00 57.07 57.51 2fki s TYR 82 Cb -0.19 -2.88 0.00 0.00 -0.11 0.00 0.00 41.96 38.78 2fki s TYR 82 CO 0.11 0.00 1.11 1.28 -1.11 0.00 0.00 175.55 176.95 2fki n LEU 83 N 4.13 3.10 0.06 -1.29 4.77 -1.26 -3.80 117.00 122.72 2fki n LEU 83 Ca 0.01 -1.46 0.12 0.00 -0.03 0.00 0.00 56.01 54.65 2fki n LEU 83 Cb 0.51 -0.60 0.28 0.00 -2.33 0.00 0.00 43.42 41.27 2fki n LEU 83 CO 0.48 0.56 0.56 -0.67 -1.33 0.00 0.00 177.39 176.98 2fki n ASP 84 N 1.09 0.67 0.00 -1.43 2.03 -1.26 -4.78 116.55 112.87 2fki n ASP 84 Ca 0.00 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.56 2fki n ASP 84 Cb 0.38 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 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 1.35 3.53 3.51 0.27 0.00 -1.25 -5.02 105.19 107.58 2fki n GLY 85 Ca 0.04 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 2fki n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fki s SER 86 N 0.02 6.74 -0.23 1.61 0.01 -1.26 -4.94 113.70 115.65 2fki s SER 86 Ca 0.00 -2.19 0.02 0.00 1.31 0.00 0.00 55.95 55.09 2fki s SER 86 Cb 0.00 -2.48 0.05 0.00 0.21 0.00 0.00 66.02 63.80 2fki s SER 86 CO 0.00 -1.12 -0.11 -0.76 0.41 0.00 0.00 173.24 171.65 2fki s LEU 87 N 3.30 2.79 0.73 2.44 2.01 -1.26 -5.13 118.68 123.57 2fki s LEU 87 Ca 0.42 -1.11 -0.11 0.00 0.01 0.00 0.00 54.13 53.35 2fki s LEU 87 Cb -0.01 -1.39 0.03 0.00 0.01 0.00 0.00 46.19 44.82 2fki s LEU 87 CO -0.04 -0.16 1.07 -2.16 1.01 0.00 0.00 176.35 176.08 2fki s PRO 88 N 1.26 2.62 0.26 1.29 0.04 -1.26 -4.96 135.00 134.25 2fki s PRO 88 Ca -0.04 0.92 -0.05 0.00 0.04 0.00 0.00 61.00 61.87 2fki s PRO 88 Cb -0.18 -1.96 0.32 0.00 0.04 0.00 0.00 34.50 32.73 2fki s PRO 88 CO -0.07 -1.31 1.93 -0.44 0.04 0.00 0.00 177.00 177.15 2fki h ASP 89 N -0.88 1.10 0.14 6.66 5.19 -2.01 -2.00 116.42 124.62 2fki h ASP 89 Ca -0.45 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 55.92 2fki h ASP 89 Cb 1.23 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 40.46 2fki h ASP 89 CO 0.56 0.78 -0.11 0.28 -3.12 0.00 0.00 179.24 177.64 2fki h SER 90 N 1.29 0.00 0.24 6.45 0.02 -2.03 -2.14 113.55 117.38 2fki h SER 90 Ca 0.36 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.19 2fki h SER 90 Cb -0.11 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2fki h SER 90 CO -0.09 0.11 -0.48 -0.61 -1.14 0.00 0.00 176.83 174.62 2fki h GLN 91 N 0.00 0.29 -0.86 3.45 5.75 -1.73 -3.04 115.11 118.97 2fki h GLN 91 Ca -0.00 -0.16 0.02 0.00 -0.15 0.00 0.00 58.65 58.36 2fki h GLN 91 Cb 0.21 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 2fki h GLN 91 CO 0.01 0.71 0.57 0.82 -2.65 0.00 0.00 178.83 178.29 2fki h ILE 92 N 0.23 1.19 -0.06 2.39 2.04 -1.40 -2.08 117.51 119.83 2fki h ILE 92 Ca 0.01 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.49 2fki h ILE 92 Cb 0.94 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2fki h ILE 92 CO 0.08 0.21 0.03 1.88 0.00 0.00 0.00 178.15 180.35 2fki h TYR 93 N 1.13 0.06 -0.41 1.37 0.05 -1.61 -2.62 116.97 114.95 2fki h TYR 93 Ca 0.32 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 59.07 2fki h TYR 93 Cb -0.08 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 2fki h TYR 93 CO -0.00 0.04 0.12 -0.92 -1.05 0.00 0.00 178.16 176.34 2fki h TYR 94 N 0.07 0.67 -0.79 4.88 3.20 -1.52 -0.11 116.97 123.37 2fki h TYR 94 Ca 0.02 -0.07 0.07 0.00 3.14 0.00 0.00 58.73 61.89 2fki h TYR 94 Cb -0.00 -0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.01 2fki h TYR 94 CO -0.08 0.63 0.47 -0.07 -1.64 0.00 0.00 178.16 177.47 2fki h LEU 95 N 0.52 0.71 0.04 2.82 3.38 -1.29 0.33 115.31 121.81 2fki h LEU 95 Ca 0.13 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2fki h LEU 95 Cb 0.28 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2fki h LEU 95 CO -0.00 0.44 -0.02 0.58 0.09 0.00 0.00 178.44 179.53 2fki h VAL 96 N 0.84 1.21 -0.17 1.22 2.07 -1.27 -3.31 116.25 116.83 2fki h VAL 96 Ca 0.36 -1.71 -0.14 0.00 0.82 0.00 0.00 66.70 66.04 2fki h VAL 96 Cb 0.23 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 2fki h VAL 96 CO -0.20 0.38 -0.48 -0.78 0.02 0.00 0.00 177.57 176.51 2fki h ASP 97 N -0.92 0.47 -0.57 0.57 3.58 -0.93 -2.40 116.42 116.22 2fki h ASP 97 Ca -0.01 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.22 2fki h ASP 97 Cb 0.66 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.55 2fki h ASP 97 CO 0.01 0.88 0.38 0.00 -2.88 0.00 0.00 179.24 177.62 2fki h ALA 98 N 1.14 1.59 -0.01 -0.78 0.00 -1.10 0.64 119.26 120.74 2fki h ALA 98 Ca 0.02 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2fki h ALA 98 Cb 0.97 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2fki h ALA 98 CO 0.08 0.38 -0.54 0.77 0.00 0.00 0.00 179.25 179.95 2fki h SER 99 N 0.78 0.03 -0.28 0.00 0.02 -1.54 -2.93 113.55 109.63 2fki h SER 99 Ca 0.21 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 2fki h SER 99 Cb -0.09 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2fki h SER 99 CO -0.04 0.56 -0.03 0.22 -1.14 0.00 0.00 176.83 176.39 2fki h TYR 100 N 0.02 0.57 -0.67 3.45 3.20 -0.47 -2.73 116.97 120.34 2fki h TYR 100 Ca -0.00 -0.11 0.09 0.00 3.14 0.00 0.00 58.73 61.85 2fki h TYR 100 Cb 0.95 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 39.04 2fki h TYR 100 CO 0.00 0.69 0.44 1.96 -1.64 0.00 0.00 178.16 179.61 2fki h GLN 101 N 0.28 0.52 -0.35 1.82 7.50 -1.04 -1.05 115.11 122.80 2fki h GLN 101 Ca 0.08 -0.03 -0.00 0.00 0.50 0.00 0.00 58.65 59.19 2fki h GLN 101 Cb 0.48 -0.12 -0.02 0.00 0.05 0.00 0.00 27.48 27.88 2fki h GLN 101 CO 0.02 0.35 0.21 1.96 -1.50 0.00 0.00 178.83 179.87 2fki h GLN 102 N 0.54 0.47 -0.35 1.46 4.20 -1.31 -2.23 115.11 117.89 2fki h GLN 102 Ca 0.31 -0.04 -0.15 0.00 0.06 0.00 0.00 58.65 58.82 2fki h GLN 102 Cb 0.48 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2fki h GLN 102 CO -0.10 0.35 -0.37 0.00 -0.67 0.00 0.00 178.83 178.05 2fki h ALA 103 N 1.09 0.52 -0.49 3.87 0.00 -1.21 -3.10 119.26 119.94 2fki h ALA 103 Ca 0.12 -0.44 0.03 0.00 0.00 0.00 0.00 54.91 54.62 2fki h ALA 103 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2fki h ALA 103 CO -0.02 0.61 0.28 0.28 0.00 0.00 0.00 179.25 180.39 2fki h VAL 104 N 0.67 1.01 0.00 0.00 2.07 -1.01 -1.65 116.25 117.34 2fki h VAL 104 Ca 0.05 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2fki h VAL 104 Cb 0.96 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2fki h VAL 104 CO 0.09 0.10 0.00 -0.55 0.02 0.00 0.00 177.57 177.23 2fki h ASN 105 N 0.55 0.00 0.16 0.57 7.08 -1.46 -2.70 115.58 119.77 2fki h ASN 105 Ca 0.21 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.43 2fki h ASN 105 Cb 0.06 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.30 2fki h ASN 105 CO -0.11 0.00 -0.32 0.18 -2.08 0.00 0.00 177.43 175.10 2fki n LEU 106 N -2.56 1.33 -4.76 6.14 4.77 -0.77 -4.92 117.00 116.24 2fki n LEU 106 Ca 0.04 -0.42 -0.41 0.00 -0.03 0.00 0.00 56.01 55.20 2fki n LEU 106 Cb 0.40 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 2fki n LEU 106 CO 0.29 0.25 0.91 -0.76 -1.33 0.00 0.00 177.39 176.75 2fki s LEU 107 N -2.49 4.47 0.00 2.23 1.43 -0.69 -5.03 118.68 118.60 2fki s LEU 107 Ca 0.23 2.52 -0.20 0.00 -1.03 0.00 0.00 54.13 55.65 2fki s LEU 107 Cb 0.19 -3.64 0.30 0.00 0.03 0.00 0.00 46.19 43.07 2fki s LEU 107 CO 0.53 -0.40 1.02 -2.65 0.23 0.00 0.00 176.35 175.08 2fki n PRO 108 N 1.06 -3.19 -0.09 1.29 -0.02 -1.26 -4.59 135.00 128.20 2fki n PRO 108 Ca 0.00 -1.64 -0.08 0.00 -2.02 0.00 0.00 63.50 59.76 2fki n PRO 108 Cb 0.43 -1.58 -0.06 0.00 -0.02 0.00 0.00 33.50 32.27 2fki n PRO 108 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2fki h GLU 109 N 0.00 -0.21 -0.39 -0.52 4.57 -1.99 -1.39 114.58 114.65 2fki h GLU 109 Ca -0.39 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 57.89 2fki h GLU 109 Cb 1.20 0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 29.75 2fki h GLU 109 CO 0.25 -0.14 -0.26 1.49 -1.18 0.00 0.00 179.01 179.18 2fki h GLU 110 N -0.22 -0.18 -0.11 1.92 4.81 -2.00 -0.59 114.58 118.21 2fki h GLU 110 Ca 0.05 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2fki h GLU 110 Cb 0.34 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 2fki h GLU 110 CO -0.36 -0.12 0.04 0.87 -0.73 0.00 0.00 179.01 178.71 2fki h LYS 111 N -0.19 0.16 -0.64 1.92 6.56 -1.84 -2.81 116.57 119.73 2fki h LYS 111 Ca 0.19 -0.03 0.06 0.00 -1.06 0.00 0.00 60.65 59.81 2fki h LYS 111 Cb 0.49 -0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 32.06 2fki h LYS 111 CO -0.50 0.26 0.34 0.00 -2.06 0.00 0.00 179.45 177.49 2fki h ARG 112 N 0.02 0.62 -0.66 3.15 2.47 -0.82 -2.76 114.38 116.39 2fki h ARG 112 Ca 0.04 -0.04 0.10 0.00 -1.26 0.00 0.00 59.98 58.82 2fki h ARG 112 Cb 0.16 -0.14 -0.07 0.00 -1.65 0.00 0.00 29.97 28.27 2fki h ARG 112 CO -0.00 0.41 0.28 0.87 0.56 0.00 0.00 179.97 182.08 2fki h LYS 113 N 0.64 0.46 -0.39 0.04 1.79 -0.86 -0.72 116.57 117.52 2fki h LYS 113 Ca 0.29 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.64 2fki h LYS 113 Cb 0.19 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 2fki h LYS 113 CO -0.19 0.30 -0.11 1.25 -1.08 0.00 0.00 179.45 179.63 2fki h LEU 114 N 0.47 0.68 -0.27 2.94 6.46 -1.37 -2.66 115.31 121.56 2fki h LEU 114 Ca 0.33 -0.19 -0.12 0.00 -0.12 0.00 0.00 57.88 57.78 2fki h LEU 114 Cb 0.41 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.14 2fki h LEU 114 CO -0.31 0.82 -0.59 -0.07 -0.62 0.00 0.00 178.44 177.67 2fki h LEU 115 N 0.63 0.00 0.20 2.25 3.38 -1.09 -3.09 115.31 117.59 2fki h LEU 115 Ca 0.11 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.77 2fki h LEU 115 Cb 0.55 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.32 2fki h LEU 115 CO 0.03 0.59 -1.41 0.58 0.09 0.00 0.00 178.44 178.33 2fki h VAL 116 N 0.00 1.34 0.00 1.22 2.07 -1.00 -3.31 116.25 116.57 2fki h VAL 116 Ca -0.01 -2.84 -0.12 0.00 0.82 0.00 0.00 66.70 64.56 2fki h VAL 116 Cb 1.34 2.98 -0.02 0.00 -1.52 0.00 0.00 31.29 34.07 2fki h VAL 116 CO 0.08 0.85 -0.55 1.56 0.02 0.00 0.00 177.57 179.52 2fki h GLN 117 N 0.11 0.00 -0.01 1.57 1.08 -1.54 -3.52 115.11 112.81 2fki h GLN 117 Ca -0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 2fki h GLN 117 Cb 2.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.51 2fki h GLN 117 CO 0.24 0.55 0.00 1.28 -0.95 0.00 0.00 178.83 179.95