#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 5.31 0.36 1.12 -4.23 -1.26 -4.58 115.64 112.37 2fki s THR 2 Ca 0.00 -0.74 0.07 0.00 -1.18 0.00 0.00 61.69 59.85 2fki s THR 2 Cb 0.00 -3.76 0.15 0.00 1.34 0.00 0.00 72.50 70.23 2fki s THR 2 CO 0.00 -0.14 1.89 0.40 -0.54 0.00 0.00 174.62 176.23 2fki h ILE 3 N 1.55 1.19 -0.88 2.99 2.04 -1.98 -2.48 117.51 119.93 2fki h ILE 3 Ca -0.49 -0.81 0.11 0.00 1.00 0.00 0.00 64.86 64.67 2fki h ILE 3 Cb 1.20 1.13 -0.08 0.00 -0.74 0.00 0.00 36.82 38.33 2fki h ILE 3 CO 0.67 0.26 0.51 -1.28 0.00 0.00 0.00 178.15 178.31 2fki h SER 4 N 0.33 0.71 -0.22 1.72 0.87 -2.00 0.61 113.55 115.58 2fki h SER 4 Ca 0.07 0.06 -0.16 0.00 -1.23 0.00 0.00 61.79 60.53 2fki h SER 4 Cb 0.38 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2fki h SER 4 CO 0.02 0.38 -0.48 -0.33 -0.53 0.00 0.00 176.83 175.88 2fki h GLU 5 N 0.81 0.71 -0.52 2.24 4.39 -1.87 -3.18 114.58 117.16 2fki h GLU 5 Ca 0.44 -0.48 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 2fki h GLU 5 Cb 0.46 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 2fki h GLU 5 CO -0.28 1.10 0.15 1.25 -1.16 0.00 0.00 179.01 180.07 2fki h LEU 6 N 0.43 0.72 -0.86 1.33 6.46 -0.84 -2.92 115.31 119.62 2fki h LEU 6 Ca 0.00 -0.11 0.11 0.00 -0.12 0.00 0.00 57.88 57.76 2fki h LEU 6 Cb 1.09 -0.19 -0.08 0.00 -0.73 0.00 0.00 40.66 40.76 2fki h LEU 6 CO 0.11 0.69 0.49 -0.07 -0.62 0.00 0.00 178.44 179.04 2fki h LEU 7 N 0.76 0.69 -0.60 2.25 3.38 0.19 -0.88 115.31 121.10 2fki h LEU 7 Ca 0.17 0.06 -0.15 0.00 0.09 0.00 0.00 57.88 58.05 2fki h LEU 7 Cb 0.24 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2fki h LEU 7 CO -0.01 0.37 -0.63 -0.61 0.09 0.00 0.00 178.44 177.66 2fki h GLN 8 N 0.79 0.26 -0.19 1.13 4.15 -1.61 -2.75 115.11 116.90 2fki h GLN 8 Ca 0.43 -0.19 -0.03 0.00 0.77 0.00 0.00 58.65 59.63 2fki h GLN 8 Cb 0.45 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 2fki h GLN 8 CO -0.27 0.80 -0.02 -0.92 -1.93 0.00 0.00 178.83 176.49 2fki h TYR 9 N 0.19 0.27 -0.52 3.99 3.20 -1.17 -1.98 116.97 120.95 2fki h TYR 9 Ca -0.01 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.85 2fki h TYR 9 Cb 1.15 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.31 2fki h TYR 9 CO 0.02 0.30 0.34 0.00 -1.64 0.00 0.00 178.16 177.19 2fki n MET 11 N -4.46 0.05 0.00 0.00 2.81 -0.75 -1.83 117.12 112.94 2fki n MET 11 Ca 0.05 0.12 0.13 0.00 -1.81 0.00 0.00 57.70 56.19 2fki n MET 11 Cb 0.06 -1.56 0.42 0.00 -0.71 0.00 0.00 33.22 31.42 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 -1.56 3.06 -2.62 3.04 0.00 -0.26 -4.68 120.51 117.49 2fki n ALA 12 Ca 0.06 -0.33 -0.43 0.00 0.00 0.00 0.00 53.44 52.73 2fki n ALA 12 Cb 0.30 -1.21 -0.08 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.65 3.08 -0.31 0.00 -0.14 -0.76 -5.02 119.74 113.94 2fki s LYS 13 Ca 0.21 -0.89 -0.28 0.00 -1.36 0.00 0.00 55.97 53.65 2fki s LYS 13 Cb 0.19 -4.03 -0.05 0.00 -1.68 0.00 0.00 37.83 32.27 2fki s LYS 13 CO 0.55 -0.97 2.16 -1.25 -0.76 0.00 0.00 175.35 175.08 2fki s PRO 14 N 2.17 2.95 0.00 -1.68 0.04 -1.26 -1.90 135.00 135.32 2fki s PRO 14 Ca 0.11 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.90 2fki s PRO 14 Cb -0.19 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 29.97 2fki s PRO 14 CO 0.12 -2.30 0.00 0.41 0.04 0.00 0.00 177.00 175.27 2fki n GLY 15 N 5.75 1.06 3.57 0.56 0.00 -1.26 -4.86 105.19 110.00 2fki n GLY 15 Ca 0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 3.52 0.02 4.61 0.00 -0.80 -4.13 121.76 122.99 2fki s ALA 16 Ca 0.00 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.87 2fki s ALA 16 Cb 0.00 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 2fki s ALA 16 CO 0.00 -0.86 0.05 -2.00 0.00 0.00 0.00 175.76 172.95 2fki s GLU 17 N 1.96 2.90 -0.26 0.00 2.12 -0.84 -4.70 118.70 119.89 2fki s GLU 17 Ca 0.11 -0.59 -0.20 0.00 0.36 0.00 0.00 54.97 54.65 2fki s GLU 17 Cb -0.16 -2.75 -0.02 0.00 0.26 0.00 0.00 34.13 31.46 2fki s GLU 17 CO 0.11 0.61 0.62 -0.65 -0.54 0.00 0.00 175.26 175.41 2fki s GLN 18 N -1.86 4.10 -0.34 4.30 -0.21 -1.26 -2.09 119.66 122.28 2fki s GLN 18 Ca 0.23 0.51 -0.04 0.00 0.02 0.00 0.00 55.36 56.09 2fki s GLN 18 Cb -0.12 -3.65 0.06 0.00 1.00 0.00 0.00 33.01 30.30 2fki s GLN 18 CO 0.15 -0.41 0.09 -1.12 -2.12 0.00 0.00 175.29 171.87 2fki s SER 19 N 1.49 5.14 0.03 5.90 0.01 0.18 -4.93 113.70 121.52 2fki s SER 19 Ca 0.26 -1.40 -0.06 0.00 1.31 0.00 0.00 55.95 56.06 2fki s SER 19 Cb -0.15 -1.80 -0.05 0.00 0.21 0.00 0.00 66.02 64.23 2fki s SER 19 CO 0.09 -0.35 0.28 0.54 0.41 0.00 0.00 173.24 174.20 2fki s VAL 20 N 1.29 5.29 0.24 3.43 0.11 -1.26 0.30 120.40 129.79 2fki s VAL 20 Ca -0.01 0.10 0.07 0.00 -2.93 0.00 0.00 61.98 59.21 2fki s VAL 20 Cb -0.20 -3.58 -0.05 0.00 -1.53 0.00 0.00 36.38 31.01 2fki s VAL 20 CO -0.00 0.30 -0.09 -1.00 -3.33 0.00 0.00 175.10 170.97 2fki s HIS 21 N -1.37 1.79 0.45 1.54 3.76 -0.65 -4.99 115.29 115.82 2fki s HIS 21 Ca 0.30 -0.66 -0.07 0.00 -0.15 0.00 0.00 55.06 54.48 2fki s HIS 21 Cb -0.13 -0.93 0.10 0.00 1.11 0.00 0.00 32.58 32.73 2fki s HIS 21 CO 0.18 0.28 0.62 -1.71 -0.85 0.00 0.00 174.74 173.26 2fki n ASN 22 N -0.46 0.16 0.00 1.40 5.15 -1.26 -2.32 115.26 117.92 2fki n ASN 22 Ca -0.07 -1.29 0.00 0.00 -0.60 0.00 0.00 54.58 52.62 2fki n ASN 22 Cb 0.62 -0.46 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 2fki n ASN 22 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2fki n ASP 23 N -3.33 0.00 0.00 1.20 2.03 -1.26 -3.28 116.55 111.91 2fki n ASP 23 Ca 0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.39 2fki n ASP 23 Cb 0.28 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 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 0.00 -3.46 -0.67 4.27 -1.26 -5.02 117.44 111.30 2fki n TRP 24 Ca 0.00 -0.18 -0.25 0.00 -3.89 0.00 0.00 57.50 53.18 2fki n TRP 24 Cb 0.00 -0.02 0.05 0.00 -1.36 0.00 0.00 31.31 29.98 2fki n TRP 24 CO 0.00 0.00 0.00 1.17 -2.29 0.00 0.00 177.69 176.57 2fki n LYS 25 N -0.18 -6.09 -2.17 -2.67 4.81 -0.98 -4.77 118.16 106.11 2fki n LYS 25 Ca 0.00 0.78 -0.40 0.00 -0.87 0.00 0.00 58.31 57.81 2fki n LYS 25 Cb 0.14 -5.71 -0.02 0.00 0.02 0.00 0.00 35.03 29.46 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 -3.24 3.43 -0.24 3.14 0.00 -1.20 -4.72 121.76 118.93 2fki s ALA 26 Ca 0.50 1.18 -0.04 0.00 0.00 0.00 0.00 51.96 53.60 2fki s ALA 26 Cb -0.23 -3.45 -0.00 0.00 0.00 0.00 0.00 23.12 19.44 2fki s ALA 26 CO 0.62 -0.59 -0.01 0.99 0.00 0.00 0.00 175.76 176.77 2fki s THR 27 N -1.18 3.52 -0.17 0.00 2.01 -0.58 -1.63 115.64 117.61 2fki s THR 27 Ca 0.50 -0.56 -0.08 0.00 0.31 0.00 0.00 61.69 61.86 2fki s THR 27 Cb -0.38 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 2fki s THR 27 CO 0.50 0.32 0.12 -1.10 -0.69 0.00 0.00 174.62 173.76 2fki s GLN 28 N 1.48 3.87 -0.39 4.92 -0.21 0.15 -0.27 119.66 129.21 2fki s GLN 28 Ca 0.05 -0.22 -0.11 0.00 0.02 0.00 0.00 55.36 55.10 2fki s GLN 28 Cb -0.15 -3.29 0.04 0.00 1.00 0.00 0.00 33.01 30.61 2fki s GLN 28 CO -0.02 0.46 0.23 0.42 -2.12 0.00 0.00 175.29 174.26 2fki s ILE 29 N -0.11 4.53 0.04 1.08 1.01 0.25 0.50 121.20 128.50 2fki s ILE 29 Ca 0.10 -0.99 -0.06 0.00 0.00 0.00 0.00 60.65 59.70 2fki s ILE 29 Cb -0.12 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 2fki s ILE 29 CO 0.00 -0.31 0.10 -1.59 0.00 0.00 0.00 174.94 173.14 2fki s LYS 30 N 1.53 0.59 0.00 2.79 0.00 -0.89 -3.18 119.74 120.58 2fki s LYS 30 Ca 0.02 -0.75 0.00 0.00 0.00 0.00 0.00 55.97 55.24 2fki s LYS 30 Cb -0.20 0.23 0.00 0.00 0.00 0.00 0.00 37.83 37.86 2fki s LYS 30 CO 0.06 -0.15 0.00 0.28 0.00 0.00 0.00 175.35 175.54 2fki n VAL 31 N 0.77 0.00 -0.00 1.79 0.31 -0.52 -1.98 118.33 118.70 2fki n VAL 31 Ca -0.19 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.11 2fki n VAL 31 Cb 0.58 0.00 -0.02 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 -0.12 0.00 5.55 4.39 -2.02 -3.40 114.58 118.98 2fki h GLU 32 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2fki h GLU 32 Cb 0.00 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2fki h GLU 32 CO 0.00 -0.08 0.00 -3.47 -1.16 0.00 0.00 179.01 174.30 2fki n ASP 33 N -3.20 0.00 -4.54 1.42 2.03 -1.26 -5.04 116.55 105.96 2fki n ASP 33 Ca -0.01 -1.00 -0.41 0.00 0.52 0.00 0.00 54.79 53.88 2fki n ASP 33 Cb 0.08 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.45 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 3.83 -0.43 5.18 1.01 -1.26 -4.97 120.40 123.76 2fki s VAL 34 Ca 0.00 0.06 -0.25 0.00 0.00 0.00 0.00 61.98 61.79 2fki s VAL 34 Cb 0.00 -4.93 0.02 0.00 0.00 0.00 0.00 36.38 31.48 2fki s VAL 34 CO 0.00 -1.84 0.88 -0.22 0.00 0.00 0.00 175.10 173.92 2fki s LEU 35 N 5.38 4.07 -0.00 3.92 2.96 -1.26 -1.44 118.68 132.30 2fki s LEU 35 Ca 0.36 0.17 0.11 0.00 -0.22 0.00 0.00 54.13 54.55 2fki s LEU 35 Cb -0.07 -3.14 -0.14 0.00 0.50 0.00 0.00 46.19 43.34 2fki s LEU 35 CO 0.09 -0.96 0.42 2.22 -1.32 0.00 0.00 176.35 176.80 2fki n PHE 36 N 6.94 0.00 -3.59 5.38 1.16 -1.19 -5.03 117.46 121.12 2fki n PHE 36 Ca 0.05 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.55 2fki n PHE 36 Cb 0.48 -0.08 -0.05 0.00 -1.61 0.00 0.00 39.48 38.23 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 -2.29 -1.98 -0.09 1.98 0.00 -1.23 -4.78 121.76 113.37 2fki s ALA 37 Ca 0.02 1.67 -0.07 0.00 0.00 0.00 0.00 51.96 53.57 2fki s ALA 37 Cb 0.08 -0.92 0.03 0.00 0.00 0.00 0.00 23.12 22.31 2fki s ALA 37 CO 0.48 -0.29 0.24 0.00 0.00 0.00 0.00 175.76 176.19 2fki s MET 38 N -1.08 0.25 -0.10 0.00 0.23 -1.24 -0.58 119.30 116.78 2fki s MET 38 Ca 0.01 0.39 -0.03 0.00 -1.03 0.00 0.00 55.69 55.03 2fki s MET 38 Cb -0.01 0.05 -0.03 0.00 -1.53 0.00 0.00 34.83 33.31 2fki s MET 38 CO -0.01 -0.07 0.02 0.14 -2.03 0.00 0.00 175.02 173.07 2fki s VAL 39 N 0.48 4.48 -0.07 5.16 -7.23 0.63 -3.05 120.40 120.80 2fki s VAL 39 Ca -0.03 -0.18 -0.00 0.00 -1.81 0.00 0.00 61.98 59.96 2fki s VAL 39 Cb -0.04 -2.91 0.03 0.00 0.56 0.00 0.00 36.38 34.01 2fki s VAL 39 CO -0.02 0.59 -0.02 -0.54 -0.31 0.00 0.00 175.10 174.79 2fki s LYS 40 N -0.70 0.80 -0.45 4.82 3.01 -0.41 -1.53 119.74 125.28 2fki s LYS 40 Ca 0.11 -0.01 -0.29 0.00 -1.01 0.00 0.00 55.97 54.77 2fki s LYS 40 Cb -0.12 -1.00 0.02 0.00 -1.01 0.00 0.00 37.83 35.73 2fki s LYS 40 CO 0.02 -0.22 1.18 -1.21 0.51 0.00 0.00 175.35 175.64 2fki s GLU 41 N 1.55 3.73 -0.12 1.68 0.41 -1.26 -2.38 118.70 122.32 2fki s GLU 41 Ca -0.01 0.69 0.00 0.00 -0.41 0.00 0.00 54.97 55.24 2fki s GLU 41 Cb -0.13 -3.91 0.02 0.00 -1.78 0.00 0.00 34.13 28.33 2fki s GLU 41 CO -0.04 -1.37 -0.10 0.54 -0.49 0.00 0.00 175.26 173.80 2fki s VAL 42 N 4.55 1.21 -1.89 2.63 0.11 -1.12 -4.65 120.40 121.25 2fki s VAL 42 Ca 0.50 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 2fki s VAL 42 Cb -0.09 -1.18 0.00 0.00 -1.53 0.00 0.00 36.38 33.58 2fki s VAL 42 CO 0.30 0.40 0.00 -0.62 -3.33 0.00 0.00 175.10 171.85 2fki n GLU 43 N 4.71 -1.35 -1.51 1.54 1.02 -1.26 -0.50 120.64 123.28 2fki n GLU 43 Ca -0.15 1.09 -0.14 0.00 -0.02 0.00 0.00 57.16 57.94 2fki n GLU 43 Cb 0.50 -5.45 -0.06 0.00 -0.02 0.00 0.00 31.44 26.41 2fki n GLU 43 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2fki n ASN 44 N -1.17 -4.71 -4.23 1.62 5.15 -1.26 -4.99 115.26 105.66 2fki n ASN 44 Ca -0.20 0.32 -0.34 0.00 -0.60 0.00 0.00 54.58 53.76 2fki n ASN 44 Cb 0.63 -3.52 -0.15 0.00 -0.53 0.00 0.00 39.78 36.21 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 -3.39 3.21 -0.03 1.20 0.52 0.34 -5.08 118.95 115.72 2fki s ARG 45 Ca 0.00 -0.72 -0.30 0.00 -0.52 0.00 0.00 55.73 54.20 2fki s ARG 45 Cb 0.00 -2.84 -0.07 0.00 0.52 0.00 0.00 34.95 32.56 2fki s ARG 45 CO 0.00 -0.21 1.96 -1.25 0.02 0.00 0.00 175.30 175.82 2fki s PRO 46 N 1.40 3.94 -0.06 3.54 0.04 -1.26 -2.78 135.00 139.82 2fki s PRO 46 Ca 0.05 2.41 0.02 0.00 0.04 0.00 0.00 61.00 63.52 2fki s PRO 46 Cb -0.14 -4.18 0.01 0.00 0.04 0.00 0.00 34.50 30.24 2fki s PRO 46 CO -0.07 -1.17 -0.11 0.00 0.04 0.00 0.00 177.00 175.68 2fki s ALA 47 N 5.16 1.18 0.21 8.56 0.00 -1.00 -0.44 121.76 135.44 2fki s ALA 47 Ca 0.88 -0.38 0.09 0.00 0.00 0.00 0.00 51.96 52.56 2fki s ALA 47 Cb -0.39 -0.53 -0.05 0.00 0.00 0.00 0.00 23.12 22.16 2fki s ALA 47 CO 0.38 0.11 -0.18 0.54 0.00 0.00 0.00 175.76 176.62 2fki s VAL 48 N 0.62 2.02 -0.06 0.00 0.11 0.40 -1.29 120.40 122.21 2fki s VAL 48 Ca -0.13 -2.17 0.02 0.00 -2.93 0.00 0.00 61.98 56.77 2fki s VAL 48 Cb -0.15 -2.07 0.02 0.00 -1.53 0.00 0.00 36.38 32.65 2fki s VAL 48 CO 0.03 -0.42 -0.08 -0.44 -3.33 0.00 0.00 175.10 170.86 2fki s SER 49 N -3.13 1.39 0.00 3.54 0.01 -1.17 0.10 113.70 114.43 2fki s SER 49 Ca 0.22 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.27 2fki s SER 49 Cb -0.04 -0.65 0.00 0.00 0.21 0.00 0.00 66.02 65.54 2fki s SER 49 CO 0.09 -0.01 0.00 0.18 0.41 0.00 0.00 173.24 173.91 2fki n LEU 50 N 3.95 0.00 -0.84 2.44 4.32 -1.21 -3.70 117.00 121.96 2fki n LEU 50 Ca -0.24 0.00 0.11 0.00 -0.02 0.00 0.00 56.01 55.87 2fki n LEU 50 Cb 0.51 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.28 2fki n LEU 50 CO 0.24 0.00 -0.21 1.17 -1.22 0.00 0.00 177.39 177.37 2fki n LYS 51 N -0.64 -1.77 -2.10 3.23 0.00 -1.26 -4.70 118.16 110.92 2fki n LYS 51 Ca 0.00 1.25 -0.19 0.00 0.00 0.00 0.00 58.31 59.37 2fki n LYS 51 Cb 0.00 -2.13 -0.03 0.00 0.00 0.00 0.00 35.03 32.87 2fki n LYS 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2fki n THR 52 N -3.24 -0.61 -3.91 3.15 -1.04 -1.26 -4.96 114.28 102.41 2fki n THR 52 Ca -0.01 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.84 2fki n THR 52 Cb 0.39 -2.48 -0.16 0.00 -1.82 0.00 0.00 70.33 66.26 2fki n THR 52 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2fki s SER 53 N -2.35 0.33 0.13 8.00 1.04 -1.26 -5.07 113.70 114.52 2fki s SER 53 Ca 0.00 -0.02 -0.27 0.00 0.48 0.00 0.00 55.95 56.15 2fki s SER 53 Cb 0.00 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 2fki s SER 53 CO 0.00 -0.09 1.61 -0.65 0.98 0.00 0.00 173.24 175.09 2fki h PRO 54 N 7.14 -0.42 -0.71 4.02 0.11 -1.99 0.52 132.00 140.68 2fki h PRO 54 Ca -0.42 0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.68 2fki h PRO 54 Cb 1.14 0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 2fki h PRO 54 CO 0.48 -0.28 0.31 1.49 -0.21 0.00 0.00 178.00 179.79 2fki h GLU 55 N -0.43 1.04 -0.51 1.05 4.81 -1.99 -1.80 114.58 116.74 2fki h GLU 55 Ca 0.08 -0.17 -0.10 0.00 -0.13 0.00 0.00 59.36 59.03 2fki h GLU 55 Cb 0.56 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 2fki h GLU 55 CO -0.33 0.84 -0.10 1.25 -0.73 0.00 0.00 179.01 179.95 2fki h LEU 56 N 1.00 0.93 -1.09 1.64 7.12 -1.89 0.78 115.31 123.79 2fki h LEU 56 Ca 0.24 -0.29 -0.04 0.00 0.13 0.00 0.00 57.88 57.91 2fki h LEU 56 Cb 0.17 -0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 40.02 2fki h LEU 56 CO -0.02 1.04 0.15 0.00 -0.13 0.00 0.00 178.44 179.47 2fki h ALA 57 N 1.04 1.27 -0.10 1.25 0.00 -0.45 -0.61 119.26 121.67 2fki h ALA 57 Ca 0.14 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 2fki h ALA 57 Cb 0.63 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2fki h ALA 57 CO 0.04 0.51 -0.40 0.93 0.00 0.00 0.00 179.25 180.34 2fki h GLU 58 N 0.77 0.45 -0.61 0.00 4.39 -1.00 -2.50 114.58 116.08 2fki h GLU 58 Ca 0.17 -0.35 0.11 0.00 0.34 0.00 0.00 59.36 59.63 2fki h GLU 58 Cb 0.25 0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 28.89 2fki h GLU 58 CO -0.01 0.98 0.18 1.25 -1.16 0.00 0.00 179.01 180.25 2fki h LEU 59 N 0.02 0.11 -0.86 1.33 5.85 -0.45 0.44 115.31 121.76 2fki h LEU 59 Ca -0.02 0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 2fki h LEU 59 Cb 1.03 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 2fki h LEU 59 CO 0.08 0.07 -0.52 0.17 -0.34 0.00 0.00 178.44 177.90 2fki h LEU 60 N 0.33 0.00 -0.57 2.25 8.10 -1.17 0.31 115.31 124.56 2fki h LEU 60 Ca 0.31 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 58.18 2fki h LEU 60 Cb 0.44 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.64 2fki h LEU 60 CO -0.36 0.52 -0.18 -0.09 -4.11 0.00 0.00 178.44 174.22 2fki h ARG 61 N 0.00 0.96 0.00 0.17 9.65 -0.64 -3.34 114.38 121.17 2fki h ARG 61 Ca -0.01 -0.39 -0.08 0.00 -1.10 0.00 0.00 59.98 58.41 2fki h ARG 61 Cb 1.00 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.52 2fki h ARG 61 CO 0.07 1.05 -0.55 1.96 2.80 0.00 0.00 179.97 185.30 2fki h GLN 62 N 0.84 0.00 -6.21 0.20 7.50 -0.83 -3.46 115.11 113.15 2fki h GLN 62 Ca 0.12 0.00 -0.55 0.00 0.50 0.00 0.00 58.65 58.71 2fki h GLN 62 Cb 0.74 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.23 2fki h GLN 62 CO 0.06 0.59 0.34 -0.65 -1.50 0.00 0.00 178.83 177.67 2fki s GLN 63 N -2.15 4.46 0.00 1.46 -0.21 0.11 -4.89 119.66 118.44 2fki s GLN 63 Ca -0.18 1.21 0.00 0.00 0.02 0.00 0.00 55.36 56.41 2fki s GLN 63 Cb 0.02 -3.49 0.00 0.00 1.00 0.00 0.00 33.01 30.54 2fki s GLN 63 CO 0.43 -0.12 0.12 0.72 -2.12 0.00 0.00 175.29 174.32 2fki n HIS 64 N 4.29 0.00 -0.05 0.91 8.25 -1.26 -4.47 115.22 122.88 2fki n HIS 64 Ca 0.04 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.37 2fki n HIS 64 Cb 0.50 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.47 2fki n HIS 64 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2fki n SER 65 N -0.63 1.17 0.00 0.41 7.64 -1.26 -4.80 113.62 116.15 2fki n SER 65 Ca 0.00 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2fki n SER 65 Cb 0.01 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 2fki n SER 65 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2fki n ASP 66 N -3.12 0.00 -4.69 6.43 -0.08 -1.26 -4.91 116.55 108.93 2fki n ASP 66 Ca -0.29 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.56 2fki n ASP 66 Cb 1.07 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.50 2fki n ASP 66 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2fki s VAL 67 N 0.00 4.32 -0.10 5.18 0.11 -1.26 -4.61 120.40 124.04 2fki s VAL 67 Ca 0.00 1.64 -0.31 0.00 -2.93 0.00 0.00 61.98 60.37 2fki s VAL 67 Cb 0.00 -4.05 0.12 0.00 -1.53 0.00 0.00 36.38 30.92 2fki s VAL 67 CO 0.00 -0.01 1.03 0.00 -3.33 0.00 0.00 175.10 172.79 2fki s ARG 68 N 2.29 0.58 -0.97 1.54 1.70 -0.92 -4.22 118.95 118.95 2fki s ARG 68 Ca 0.55 -0.17 -0.24 0.00 -0.47 0.00 0.00 55.73 55.40 2fki s ARG 68 Cb -0.24 0.27 -0.03 0.00 -0.57 0.00 0.00 34.95 34.38 2fki s ARG 68 CO 0.21 -0.24 1.86 -2.14 -1.08 0.00 0.00 175.30 173.91 2fki s PRO 69 N -2.55 2.75 -0.00 3.89 0.02 -1.26 -3.36 135.00 134.49 2fki s PRO 69 Ca 0.06 -0.58 0.03 0.00 0.02 0.00 0.00 61.00 60.52 2fki s PRO 69 Cb -0.01 -5.15 0.09 0.00 0.02 0.00 0.00 34.50 29.45 2fki s PRO 69 CO -0.06 -3.25 1.05 0.45 -0.33 0.00 0.00 177.00 174.87 2fki n SER 70 N 13.08 0.59 -2.86 2.53 2.88 -1.26 -4.86 113.62 123.73 2fki n SER 70 Ca 0.40 -2.01 -0.15 0.00 -1.33 0.00 0.00 58.87 55.78 2fki n SER 70 Cb 0.47 -0.09 -0.01 0.00 -0.75 0.00 0.00 64.21 63.84 2fki n SER 70 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2fki n ARG 71 N -0.19 -2.76 0.17 -1.46 0.00 -1.25 -4.79 116.66 106.37 2fki n ARG 71 Ca 0.03 0.42 0.13 0.00 -0.00 0.00 0.00 57.85 58.44 2fki n ARG 71 Cb 0.10 -5.04 0.42 0.00 0.00 0.00 0.00 32.46 27.94 2fki n ARG 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2fki h HIS 72 N -0.39 0.00 0.00 -0.14 3.86 -1.96 -3.41 115.15 113.11 2fki h HIS 72 Ca -0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 2fki h HIS 72 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 2fki h HIS 72 CO 0.73 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.80 2fki n LEU 73 N -2.61 0.02 -4.06 2.43 4.77 -1.26 -5.15 117.00 111.15 2fki n LEU 73 Ca 0.03 0.45 -0.10 0.00 -0.03 0.00 0.00 56.01 56.36 2fki n LEU 73 Cb 0.38 0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 41.71 2fki n LEU 73 CO 0.28 -0.79 0.00 0.21 -1.33 0.00 0.00 177.39 175.76 2fki s ASN 74 N -5.16 0.02 -0.16 -1.43 3.84 -1.26 -5.09 114.94 105.69 2fki s ASN 74 Ca 0.00 -1.06 -0.20 0.00 0.21 0.00 0.00 52.86 51.81 2fki s ASN 74 Cb 0.00 0.49 -0.17 0.00 -0.55 0.00 0.00 41.25 41.02 2fki s ASN 74 CO 0.00 -0.99 0.33 0.50 -2.79 0.00 0.00 177.10 174.15 2fki h LYS 75 N 2.43 0.00 -3.24 0.43 1.63 -1.93 -3.34 116.57 112.55 2fki h LYS 75 Ca -0.30 0.00 -0.56 0.00 -0.85 0.00 0.00 60.65 58.94 2fki h LYS 75 Cb 1.24 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 32.47 2fki h LYS 75 CO 0.44 0.74 -0.77 0.00 -3.45 0.00 0.00 179.45 176.41 2fki s ALA 76 N -2.39 1.16 0.00 5.00 0.00 -1.26 -4.76 121.76 119.51 2fki s ALA 76 Ca -0.20 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.33 2fki s ALA 76 Cb 0.02 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.61 2fki s ALA 76 CO 0.50 -1.66 0.00 1.58 0.00 0.00 0.00 175.76 176.18 2fki n HIS 77 N 5.01 -0.30 -4.64 0.00 -0.00 -1.26 -5.14 115.22 108.89 2fki n HIS 77 Ca -0.04 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.84 2fki n HIS 77 Cb 0.42 0.06 -0.06 0.00 -0.12 0.00 0.00 29.99 30.29 2fki n HIS 77 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 2fki n TRP 78 N -1.55 0.95 -4.33 1.57 7.02 -1.26 -4.99 117.44 114.85 2fki n TRP 78 Ca 0.00 -2.35 -0.21 0.00 -1.02 0.00 0.00 57.50 53.92 2fki n TRP 78 Cb 0.00 -0.33 -0.16 0.00 -2.42 0.00 0.00 31.31 28.40 2fki n TRP 78 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 2fki s SER 79 N -3.68 1.21 -0.37 -0.99 0.01 -1.26 -4.90 113.70 103.72 2fki s SER 79 Ca 0.03 -0.19 -0.20 0.00 1.31 0.00 0.00 55.95 56.90 2fki s SER 79 Cb -0.00 -0.52 0.01 0.00 0.21 0.00 0.00 66.02 65.71 2fki s SER 79 CO 0.02 -0.00 0.62 -0.89 0.41 0.00 0.00 173.24 173.40 2fki s THR 80 N 0.67 4.89 -0.24 1.44 2.01 -1.21 -3.30 115.64 119.90 2fki s THR 80 Ca -0.11 0.47 -0.05 0.00 0.31 0.00 0.00 61.69 62.31 2fki s THR 80 Cb -0.14 -4.09 -0.01 0.00 0.01 0.00 0.00 72.50 68.28 2fki s THR 80 CO 0.01 -0.35 0.01 -0.69 -0.69 0.00 0.00 174.62 172.91 2fki s VAL 81 N 2.69 3.74 -0.35 3.82 1.01 0.11 -2.16 120.40 129.27 2fki s VAL 81 Ca 0.23 -0.44 -0.21 0.00 0.00 0.00 0.00 61.98 61.56 2fki s VAL 81 Cb -0.14 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.47 2fki s VAL 81 CO 0.15 0.33 0.68 -0.31 0.00 0.00 0.00 175.10 175.96 2fki s TYR 82 N 1.52 3.15 0.34 5.22 2.02 -1.26 -0.45 117.35 127.89 2fki s TYR 82 Ca 0.05 0.46 0.20 0.00 -0.37 0.00 0.00 57.07 57.41 2fki s TYR 82 Cb -0.15 -3.19 1.03 0.00 -0.40 0.00 0.00 41.96 39.25 2fki s TYR 82 CO -0.00 -0.63 1.92 -0.07 -1.57 0.00 0.00 175.55 175.20 2fki h LEU 83 N 9.45 0.00 -6.03 -1.29 3.38 -1.06 -2.99 115.31 116.76 2fki h LEU 83 Ca -0.26 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 56.99 2fki h LEU 83 Cb 1.11 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.78 2fki h LEU 83 CO 0.85 0.25 2.79 -0.67 0.09 0.00 0.00 178.44 181.75 2fki n ASP 84 N -3.79 4.98 0.00 -0.43 2.03 -1.20 -4.44 116.55 113.70 2fki n ASP 84 Ca -0.01 -2.92 0.00 0.00 0.52 0.00 0.00 54.79 52.37 2fki n ASP 84 Cb 0.35 -1.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.18 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 3.47 3.43 0.08 0.27 0.00 -1.13 -5.01 105.19 106.30 2fki n GLY 85 Ca 0.51 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.50 2fki n GLY 85 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2fki h SER 86 N 0.00 0.00 -3.16 1.61 0.87 -1.87 -3.46 113.55 107.55 2fki h SER 86 Ca 0.00 -0.15 -0.55 0.00 -1.23 0.00 0.00 61.79 59.86 2fki h SER 86 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2fki h SER 86 CO 0.00 0.08 0.63 -0.76 -0.53 0.00 0.00 176.83 176.25 2fki s LEU 87 N -4.50 4.29 0.64 2.23 2.01 -1.26 -5.03 118.68 117.07 2fki s LEU 87 Ca 0.06 1.78 -0.11 0.00 0.01 0.00 0.00 54.13 55.87 2fki s LEU 87 Cb 0.12 -3.56 -0.03 0.00 0.01 0.00 0.00 46.19 42.74 2fki s LEU 87 CO 0.71 -0.52 1.04 -2.16 1.01 0.00 0.00 176.35 176.44 2fki s PRO 88 N 1.92 3.40 0.18 1.29 0.04 -1.26 -4.88 135.00 135.69 2fki s PRO 88 Ca 0.55 0.75 -0.17 0.00 0.04 0.00 0.00 61.00 62.17 2fki s PRO 88 Cb -0.24 -2.06 0.13 0.00 0.04 0.00 0.00 34.50 32.37 2fki s PRO 88 CO 0.23 -0.72 1.65 -0.44 0.04 0.00 0.00 177.00 177.76 2fki h ASP 89 N -0.43 -0.52 -0.79 6.66 5.19 -1.96 -1.78 116.42 122.79 2fki h ASP 89 Ca -0.44 0.15 0.08 0.00 -0.62 0.00 0.00 57.03 56.19 2fki h ASP 89 Cb 1.20 0.32 -0.07 0.00 0.18 0.00 0.00 39.33 40.97 2fki h ASP 89 CO 0.61 -0.18 0.46 0.28 -3.12 0.00 0.00 179.24 177.29 2fki h SER 90 N -0.04 0.68 -0.17 6.45 0.02 -2.00 -0.70 113.55 117.79 2fki h SER 90 Ca 0.22 0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 61.07 2fki h SER 90 Cb 0.38 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2fki h SER 90 CO -0.49 0.41 -0.39 -0.61 -1.14 0.00 0.00 176.83 174.61 2fki h GLN 91 N 0.81 0.70 -0.72 3.45 -0.00 -1.75 -2.14 115.11 115.46 2fki h GLN 91 Ca 0.37 -0.35 -0.04 0.00 -0.00 0.00 0.00 58.65 58.62 2fki h GLN 91 Cb 0.27 0.01 -0.03 0.00 0.00 0.00 0.00 27.48 27.72 2fki h GLN 91 CO -0.21 0.96 0.28 0.82 0.00 0.00 0.00 178.83 180.68 2fki h ILE 92 N 0.57 1.25 -0.61 2.39 2.04 -0.50 -0.27 117.51 122.38 2fki h ILE 92 Ca 0.05 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 2fki h ILE 92 Cb 0.92 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 2fki h ILE 92 CO 0.08 0.32 0.26 1.88 0.00 0.00 0.00 178.15 180.68 2fki h TYR 93 N 1.03 0.89 -0.59 1.37 0.05 -0.95 -2.32 116.97 116.44 2fki h TYR 93 Ca 0.24 -0.05 -0.05 0.00 0.05 0.00 0.00 58.73 58.92 2fki h TYR 93 Cb 0.22 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 2fki h TYR 93 CO 0.02 0.67 0.16 -0.92 -1.05 0.00 0.00 178.16 177.04 2fki h TYR 94 N 0.87 0.97 0.40 4.88 3.20 -0.68 -2.43 116.97 124.18 2fki h TYR 94 Ca 0.21 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 2fki h TYR 94 Cb 0.15 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 2fki h TYR 94 CO 0.01 0.82 -0.27 -0.07 -1.64 0.00 0.00 178.16 177.00 2fki h LEU 95 N 0.84 -0.70 -0.48 2.82 3.38 -0.58 0.73 115.31 121.32 2fki h LEU 95 Ca 0.19 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.23 2fki h LEU 95 Cb 0.33 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2fki h LEU 95 CO -0.00 -0.42 0.28 0.58 0.09 0.00 0.00 178.44 178.96 2fki h VAL 96 N -0.66 1.04 -0.07 1.22 2.07 -1.42 -0.76 116.25 117.67 2fki h VAL 96 Ca -0.04 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.19 2fki h VAL 96 Cb 0.56 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2fki h VAL 96 CO 0.02 0.10 -0.41 -0.78 0.02 0.00 0.00 177.57 176.52 2fki h ASP 97 N 0.56 0.15 -0.49 0.57 3.58 -1.36 -2.20 116.42 117.23 2fki h ASP 97 Ca 0.19 -0.06 -0.13 0.00 0.42 0.00 0.00 57.03 57.45 2fki h ASP 97 Cb 0.03 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 2fki h ASP 97 CO -0.09 0.55 -0.20 0.00 -2.88 0.00 0.00 179.24 176.62 2fki h ALA 98 N 1.46 0.69 -0.39 -0.78 0.00 -0.13 0.61 119.26 120.71 2fki h ALA 98 Ca 0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 2fki h ALA 98 Cb 0.78 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2fki h ALA 98 CO 0.06 0.67 0.11 0.77 0.00 0.00 0.00 179.25 180.85 2fki h SER 99 N 0.86 0.53 -0.17 0.00 0.02 -0.80 0.33 113.55 114.32 2fki h SER 99 Ca 0.12 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 2fki h SER 99 Cb 0.78 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 2fki h SER 99 CO 0.06 0.52 -0.14 0.22 -1.14 0.00 0.00 176.83 176.35 2fki h TYR 100 N 0.57 0.47 -0.84 3.45 3.20 -1.09 -3.00 116.97 119.73 2fki h TYR 100 Ca 0.13 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2fki h TYR 100 Cb 0.20 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 2fki h TYR 100 CO 0.01 0.75 0.52 0.37 -1.64 0.00 0.00 178.16 178.18 2fki h GLN 101 N 0.05 1.12 -0.11 1.82 -0.00 -0.33 -1.46 115.11 116.19 2fki h GLN 101 Ca 0.03 -0.09 -0.06 0.00 -0.00 0.00 0.00 58.65 58.53 2fki h GLN 101 Cb 0.66 -0.24 -0.01 0.00 0.00 0.00 0.00 27.48 27.89 2fki h GLN 101 CO 0.04 0.77 -0.19 -0.56 0.00 0.00 0.00 178.83 178.89 2fki h GLN 102 N 1.14 0.19 0.00 1.69 3.07 -0.99 -1.54 115.11 118.67 2fki h GLN 102 Ca 0.30 -0.05 -0.13 0.00 0.09 0.00 0.00 58.65 58.86 2fki h GLN 102 Cb -0.08 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.44 2fki h GLN 102 CO -0.06 0.38 -0.63 0.00 0.09 0.00 0.00 178.83 178.61 2fki h ALA 103 N 1.64 0.93 -0.72 0.06 0.00 -1.17 -3.24 119.26 116.75 2fki h ALA 103 Ca 0.03 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 2fki h ALA 103 Cb 0.44 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2fki h ALA 103 CO 0.03 0.78 0.29 0.28 0.00 0.00 0.00 179.25 180.63 2fki h VAL 104 N 0.00 1.24 0.00 0.00 2.07 -0.30 -0.91 116.25 118.35 2fki h VAL 104 Ca -0.01 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2fki h VAL 104 Cb 1.13 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2fki h VAL 104 CO 0.08 0.31 0.00 -0.55 0.02 0.00 0.00 177.57 177.43 2fki h ASN 105 N 1.04 0.00 0.75 0.57 7.08 -1.56 -2.79 115.58 120.68 2fki h ASN 105 Ca 0.24 0.00 -0.25 0.00 -3.08 0.00 0.00 56.30 53.21 2fki h ASN 105 Cb 0.19 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.42 2fki h ASN 105 CO -0.02 0.00 -1.22 -0.07 -2.08 0.00 0.00 177.43 174.04 2fki h LEU 106 N 0.00 0.20 -9.82 6.14 3.38 -1.40 -3.45 115.31 110.35 2fki h LEU 106 Ca 0.00 -0.23 -0.50 0.00 0.09 0.00 0.00 57.88 57.24 2fki h LEU 106 Cb 0.73 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 41.43 2fki h LEU 106 CO 0.00 1.18 0.48 -0.76 0.09 0.00 0.00 178.44 179.43 2fki s LEU 107 N -6.84 4.52 0.00 1.67 1.43 -0.42 -5.05 118.68 113.99 2fki s LEU 107 Ca -0.03 2.27 -0.11 0.00 -1.03 0.00 0.00 54.13 55.24 2fki s LEU 107 Cb 0.08 -3.67 0.16 0.00 0.03 0.00 0.00 46.19 42.79 2fki s LEU 107 CO 0.85 -0.19 0.93 -2.65 0.23 0.00 0.00 176.35 175.52 2fki n PRO 108 N 1.08 -0.85 -0.20 1.29 -0.02 -1.26 -4.77 135.00 130.27 2fki n PRO 108 Ca -0.01 -1.50 -0.02 0.00 -2.02 0.00 0.00 63.50 59.95 2fki n PRO 108 Cb 0.45 -0.94 0.04 0.00 -0.02 0.00 0.00 33.50 33.03 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 -0.06 -0.45 -0.52 4.57 -1.96 -1.54 114.58 114.61 2fki h GLU 109 Ca -0.30 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 57.97 2fki h GLU 109 Cb 0.85 0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 29.35 2fki h GLU 109 CO 0.22 -0.04 -0.25 1.49 -1.18 0.00 0.00 179.01 179.25 2fki h GLU 110 N -0.07 -0.15 -0.32 1.92 4.81 -1.99 0.23 114.58 119.02 2fki h GLU 110 Ca 0.27 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.40 2fki h GLU 110 Cb 0.49 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2fki h GLU 110 CO -0.64 -0.10 -0.24 0.87 -0.73 0.00 0.00 179.01 178.17 2fki h LYS 111 N -0.16 0.72 -0.66 1.92 6.56 -1.77 -2.98 116.57 120.20 2fki h LYS 111 Ca 0.21 -0.35 -0.01 0.00 -1.06 0.00 0.00 60.65 59.43 2fki h LYS 111 Cb 0.49 -0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.11 2fki h LYS 111 CO -0.54 0.97 0.36 0.00 -2.06 0.00 0.00 179.45 178.17 2fki h ARG 112 N 0.48 0.92 -0.38 3.15 3.08 -0.67 -0.78 114.38 120.18 2fki h ARG 112 Ca 0.06 -0.10 0.05 0.00 0.07 0.00 0.00 59.98 60.06 2fki h ARG 112 Cb 0.80 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 2fki h ARG 112 CO 0.06 0.68 0.26 -0.22 -1.07 0.00 0.00 179.97 179.68 2fki h LYS 113 N 0.92 0.29 0.08 0.04 1.63 -0.41 -2.24 116.57 116.89 2fki h LYS 113 Ca 0.23 -0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.87 2fki h LYS 113 Cb 0.03 -0.06 0.01 0.00 -0.60 0.00 0.00 32.23 31.60 2fki h LYS 113 CO -0.04 0.19 -0.70 -0.07 -3.45 0.00 0.00 179.45 175.38 2fki h LEU 114 N 0.30 0.27 -1.74 5.20 3.38 -1.22 -3.34 115.31 118.15 2fki h LEU 114 Ca 0.16 -0.91 0.07 0.00 0.09 0.00 0.00 57.88 57.29 2fki h LEU 114 Cb 0.28 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2fki h LEU 114 CO -0.03 1.32 0.31 -0.07 0.09 0.00 0.00 178.44 180.05 2fki h LEU 115 N -0.61 0.28 -0.41 1.67 3.38 -0.76 0.27 115.31 119.13 2fki h LEU 115 Ca -0.14 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 2fki h LEU 115 Cb 1.43 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2fki h LEU 115 CO 0.06 0.18 -0.22 0.58 0.09 0.00 0.00 178.44 179.13 2fki h VAL 116 N 0.32 1.28 0.00 1.22 2.07 -1.56 -3.18 116.25 116.39 2fki h VAL 116 Ca 0.20 -1.36 -0.17 0.00 0.82 0.00 0.00 66.70 66.19 2fki h VAL 116 Cb 0.39 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 2fki h VAL 116 CO -0.04 0.46 -0.79 1.56 0.02 0.00 0.00 177.57 178.77 2fki h GLN 117 N 0.68 0.00 0.00 1.57 4.20 -1.32 -3.53 115.11 116.71 2fki h GLN 117 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2fki h GLN 117 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2fki h GLN 117 CO 0.06 0.79 0.00 1.28 -0.67 0.00 0.00 178.83 180.29