#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 2.25 0.20 1.12 -4.23 -1.26 -4.92 115.64 108.80 2fki s THR 2 Ca 0.00 -0.29 -0.10 0.00 -1.18 0.00 0.00 61.69 60.12 2fki s THR 2 Cb 0.00 -2.96 0.14 0.00 1.34 0.00 0.00 72.50 71.02 2fki s THR 2 CO 0.00 0.00 1.85 0.40 -0.54 0.00 0.00 174.62 176.33 2fki h ILE 3 N -0.66 1.21 -0.65 2.99 1.08 -2.05 -1.98 117.51 117.44 2fki h ILE 3 Ca -0.44 -0.47 -0.01 0.00 -0.39 0.00 0.00 64.86 63.56 2fki h ILE 3 Cb 1.30 0.19 -0.03 0.00 -3.07 0.00 0.00 36.82 35.21 2fki h ILE 3 CO 0.56 0.22 0.37 -1.28 -0.69 0.00 0.00 178.15 177.33 2fki h SER 4 N 1.01 0.79 -0.30 1.72 0.87 -1.99 0.76 113.55 116.40 2fki h SER 4 Ca 0.26 -0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 60.67 2fki h SER 4 Cb -0.03 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 2fki h SER 4 CO -0.05 0.62 -0.22 -0.33 -0.53 0.00 0.00 176.83 176.32 2fki h GLU 5 N 0.90 0.69 -0.35 2.24 5.08 -1.83 -1.90 114.58 119.41 2fki h GLU 5 Ca 0.23 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2fki h GLU 5 Cb -0.00 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2fki h GLU 5 CO -0.04 0.94 0.16 1.25 -1.00 0.00 0.00 179.01 180.32 2fki h LEU 6 N 0.44 0.47 -1.34 1.33 5.85 -0.71 -1.67 115.31 119.68 2fki h LEU 6 Ca 0.06 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.64 2fki h LEU 6 Cb 0.78 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 2fki h LEU 6 CO 0.06 0.49 0.45 -0.07 -0.34 0.00 0.00 178.44 179.03 2fki h LEU 7 N 0.43 0.77 -0.54 2.25 3.38 -0.84 -1.89 115.31 118.88 2fki h LEU 7 Ca 0.12 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 2fki h LEU 7 Cb 0.15 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2fki h LEU 7 CO -0.01 0.56 -0.11 -0.61 0.09 0.00 0.00 178.44 178.35 2fki h GLN 8 N 0.91 1.02 -0.27 1.13 5.75 -0.90 -2.11 115.11 120.63 2fki h GLN 8 Ca 0.25 -0.38 -0.04 0.00 -0.15 0.00 0.00 58.65 58.33 2fki h GLN 8 Cb -0.09 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 2fki h GLN 8 CO -0.06 1.07 -0.01 -0.92 -2.65 0.00 0.00 178.83 176.26 2fki h TYR 9 N 0.89 0.42 -0.08 3.99 3.20 -0.70 -1.28 116.97 123.41 2fki h TYR 9 Ca 0.14 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.88 2fki h TYR 9 Cb 0.68 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 2fki h TYR 9 CO 0.05 0.43 -0.37 0.00 -1.64 0.00 0.00 178.16 176.64 2fki h MET 11 N 0.14 0.00 0.00 0.00 2.86 -0.58 -2.24 114.93 115.11 2fki h MET 11 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2fki h MET 11 Cb 0.72 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.38 2fki h MET 11 CO 0.05 0.36 0.00 0.00 1.06 0.00 0.00 176.91 178.38 2fki n ALA 12 N -2.34 2.07 -2.56 6.32 0.00 -0.93 -4.58 120.51 118.49 2fki n ALA 12 Ca -0.01 -0.07 -0.40 0.00 0.00 0.00 0.00 53.44 52.96 2fki n ALA 12 Cb 0.46 -1.39 -0.09 0.00 0.00 0.00 0.00 19.45 18.43 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 -3.02 3.68 -0.10 0.00 -0.14 -0.84 -5.04 119.74 114.28 2fki s LYS 13 Ca 0.11 -0.30 -0.29 0.00 -1.36 0.00 0.00 55.97 54.13 2fki s LYS 13 Cb 0.15 -3.77 -0.06 0.00 -1.68 0.00 0.00 37.83 32.47 2fki s LYS 13 CO 0.44 -0.47 1.81 -1.25 -0.76 0.00 0.00 175.35 175.12 2fki s PRO 14 N 2.05 3.91 0.00 -1.68 0.04 -1.26 -3.50 135.00 134.56 2fki s PRO 14 Ca 0.13 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2fki s PRO 14 Cb -0.16 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.27 2fki s PRO 14 CO 0.11 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.38 2fki n GLY 15 N 4.63 1.08 2.82 0.56 0.00 -1.26 -5.02 105.19 108.00 2fki n GLY 15 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 1.04 -0.04 4.61 0.00 -1.23 -4.36 121.76 119.78 2fki s ALA 16 Ca 0.00 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.56 2fki s ALA 16 Cb 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 2fki s ALA 16 CO 0.00 -0.58 -0.12 -2.00 0.00 0.00 0.00 175.76 173.06 2fki s GLU 17 N 1.83 2.54 -0.20 0.00 2.12 0.18 -4.87 118.70 120.29 2fki s GLU 17 Ca 0.04 -0.68 -0.02 0.00 0.36 0.00 0.00 54.97 54.66 2fki s GLU 17 Cb -0.13 -2.43 -0.00 0.00 0.26 0.00 0.00 34.13 31.83 2fki s GLU 17 CO -0.07 0.63 -0.09 -0.65 -0.54 0.00 0.00 175.26 174.53 2fki s GLN 18 N -0.86 3.26 -0.24 4.30 -0.21 -1.26 -1.05 119.66 123.61 2fki s GLN 18 Ca 0.12 -0.69 0.01 0.00 0.02 0.00 0.00 55.36 54.82 2fki s GLN 18 Cb -0.11 -2.86 0.06 0.00 1.00 0.00 0.00 33.01 31.11 2fki s GLN 18 CO 0.02 -0.18 -0.04 -1.12 -2.12 0.00 0.00 175.29 171.86 2fki s SER 19 N 1.36 3.87 -0.25 5.90 0.01 0.54 -4.91 113.70 120.21 2fki s SER 19 Ca 0.05 -1.24 -0.16 0.00 1.31 0.00 0.00 55.95 55.90 2fki s SER 19 Cb -0.14 -1.16 -0.03 0.00 0.21 0.00 0.00 66.02 64.90 2fki s SER 19 CO -0.06 -0.26 0.44 0.54 0.41 0.00 0.00 173.24 174.31 2fki s VAL 20 N 1.40 5.14 -0.07 3.43 0.11 -1.26 -0.47 120.40 128.68 2fki s VAL 20 Ca -0.04 0.73 -0.02 0.00 -2.93 0.00 0.00 61.98 59.72 2fki s VAL 20 Cb -0.19 -3.76 -0.04 0.00 -1.53 0.00 0.00 36.38 30.87 2fki s VAL 20 CO -0.07 0.15 0.03 -1.38 -3.33 0.00 0.00 175.10 170.50 2fki s HIS 21 N 2.02 3.24 -1.21 1.54 -3.43 -0.98 -4.97 115.29 111.50 2fki s HIS 21 Ca 0.18 0.24 -0.06 0.00 -0.80 0.00 0.00 55.06 54.62 2fki s HIS 21 Cb -0.16 -1.79 0.05 0.00 -1.43 0.00 0.00 32.58 29.25 2fki s HIS 21 CO 0.09 0.52 2.63 0.09 -2.00 0.00 0.00 174.74 176.07 2fki n ASN 22 N 1.90 7.86 -0.05 7.38 4.13 -1.26 -3.13 115.26 132.10 2fki n ASN 22 Ca -0.18 -2.99 -0.10 0.00 1.68 0.00 0.00 54.58 52.99 2fki n ASN 22 Cb 0.54 -1.39 -0.03 0.00 -1.54 0.00 0.00 39.78 37.35 2fki n ASN 22 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2fki n ASP 23 N 2.05 0.81 -0.49 6.41 5.75 -1.26 -4.72 116.55 125.10 2fki n ASP 23 Ca 0.63 0.14 0.05 0.00 -0.01 0.00 0.00 54.79 55.60 2fki n ASP 23 Cb 0.32 -0.33 0.08 0.00 -1.03 0.00 0.00 41.12 40.16 2fki n ASP 23 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2fki n TRP 24 N -3.51 0.18 -2.20 2.11 7.02 -1.26 -4.93 117.44 114.84 2fki n TRP 24 Ca -0.19 -0.21 -0.18 0.00 -1.02 0.00 0.00 57.50 55.91 2fki n TRP 24 Cb 0.60 -0.01 -0.02 0.00 -2.42 0.00 0.00 31.31 29.46 2fki n TRP 24 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 2fki n LYS 25 N 0.52 -1.39 -2.64 -0.99 4.81 -1.20 -4.57 118.16 112.70 2fki n LYS 25 Ca 0.08 0.90 -0.43 0.00 -0.87 0.00 0.00 58.31 57.99 2fki n LYS 25 Cb 0.32 -5.35 -0.02 0.00 0.02 0.00 0.00 35.03 30.00 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 -2.85 3.66 -0.32 3.14 0.00 -1.18 -4.67 121.76 119.53 2fki s ALA 26 Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 51.96 51.87 2fki s ALA 26 Cb 0.00 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.55 2fki s ALA 26 CO 0.00 -1.13 0.85 0.99 0.00 0.00 0.00 175.76 176.47 2fki s THR 27 N 3.29 4.72 -0.23 0.00 2.01 0.27 -2.31 115.64 123.39 2fki s THR 27 Ca 0.45 1.24 -0.08 0.00 0.31 0.00 0.00 61.69 63.61 2fki s THR 27 Cb -0.15 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 2fki s THR 27 CO 0.08 -0.34 0.09 -1.58 -0.69 0.00 0.00 174.62 172.18 2fki s GLN 28 N 3.14 3.87 -0.25 4.92 0.74 0.38 -0.37 119.66 132.09 2fki s GLN 28 Ca 0.35 -0.38 -0.09 0.00 0.05 0.00 0.00 55.36 55.29 2fki s GLN 28 Cb -0.13 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.58 2fki s GLN 28 CO 0.14 0.02 0.13 0.42 -0.55 0.00 0.00 175.29 175.45 2fki s ILE 29 N 1.08 4.89 0.26 -2.34 1.01 -0.65 -0.34 121.20 125.12 2fki s ILE 29 Ca 0.05 0.02 -0.15 0.00 0.00 0.00 0.00 60.65 60.58 2fki s ILE 29 Cb -0.14 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.03 2fki s ILE 29 CO 0.04 0.31 0.55 -1.59 0.00 0.00 0.00 174.94 174.25 2fki s LYS 30 N 1.48 1.63 0.00 2.79 -2.85 -0.21 -3.07 119.74 119.51 2fki s LYS 30 Ca 0.06 -1.20 0.00 0.00 -1.00 0.00 0.00 55.97 53.84 2fki s LYS 30 Cb -0.15 0.51 0.00 0.00 -2.06 0.00 0.00 37.83 36.13 2fki s LYS 30 CO 0.06 -0.70 0.00 0.28 0.10 0.00 0.00 175.35 175.09 2fki n VAL 31 N -0.41 0.00 0.12 1.79 0.31 -0.75 0.48 118.33 119.87 2fki n VAL 31 Ca -0.02 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.17 2fki n VAL 31 Cb 0.61 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.47 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 -0.61 0.00 5.55 3.07 -1.96 -3.40 114.58 117.23 2fki h GLU 32 Ca 0.00 0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 58.81 2fki h GLU 32 Cb 0.00 0.14 -0.15 0.00 -0.84 0.00 0.00 28.75 27.90 2fki h GLU 32 CO 0.00 -0.41 -0.45 -3.47 -1.40 0.00 0.00 179.01 173.28 2fki n ASP 33 N -5.46 -0.13 -4.48 1.42 2.03 -1.26 -5.08 116.55 103.60 2fki n ASP 33 Ca -0.07 -1.79 -0.43 0.00 0.52 0.00 0.00 54.79 53.03 2fki n ASP 33 Cb 0.37 0.01 -0.09 0.00 -0.72 0.00 0.00 41.12 40.68 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 5.18 -0.10 5.18 1.01 -1.26 -5.05 120.40 125.36 2fki s VAL 34 Ca 0.09 -0.42 -0.24 0.00 0.00 0.00 0.00 61.98 61.41 2fki s VAL 34 Cb 0.10 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2fki s VAL 34 CO -0.04 -0.31 0.72 -0.76 0.00 0.00 0.00 175.10 174.71 2fki s LEU 35 N 1.92 4.27 0.00 3.92 1.43 -1.26 -1.82 118.68 127.14 2fki s LEU 35 Ca 0.09 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.34 2fki s LEU 35 Cb -0.18 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 42.94 2fki s LEU 35 CO 0.12 -0.19 0.00 2.22 0.23 0.00 0.00 176.35 178.73 2fki n PHE 36 N 4.21 0.00 -3.49 0.29 -1.74 -1.24 -4.92 117.46 110.56 2fki n PHE 36 Ca -0.00 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.79 2fki n PHE 36 Cb 0.51 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.48 2fki n PHE 36 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2fki s ALA 37 N -0.30 -1.78 -0.07 1.98 0.00 -1.17 -1.32 121.76 119.11 2fki s ALA 37 Ca 0.00 0.97 -0.21 0.00 0.00 0.00 0.00 51.96 52.72 2fki s ALA 37 Cb 0.00 0.38 0.04 0.00 0.00 0.00 0.00 23.12 23.55 2fki s ALA 37 CO 0.00 -0.64 0.48 0.00 0.00 0.00 0.00 175.76 175.59 2fki s MET 38 N -2.92 0.78 -0.03 0.00 0.23 0.51 -1.63 119.30 116.24 2fki s MET 38 Ca 0.02 0.17 0.04 0.00 -1.03 0.00 0.00 55.69 54.90 2fki s MET 38 Cb -0.01 0.36 -0.01 0.00 -1.53 0.00 0.00 34.83 33.65 2fki s MET 38 CO -0.07 -0.20 -0.16 0.54 -2.03 0.00 0.00 175.02 173.09 2fki s VAL 39 N -0.90 1.29 0.24 5.16 0.11 0.50 -0.64 120.40 126.16 2fki s VAL 39 Ca -0.09 -0.67 0.01 0.00 -2.93 0.00 0.00 61.98 58.29 2fki s VAL 39 Cb -0.03 -1.10 -0.04 0.00 -1.53 0.00 0.00 36.38 33.68 2fki s VAL 39 CO 0.05 0.37 0.15 -0.54 -3.33 0.00 0.00 175.10 171.80 2fki s LYS 40 N -0.16 1.35 -0.05 1.54 3.01 0.23 -0.56 119.74 125.10 2fki s LYS 40 Ca 0.01 -1.73 0.05 0.00 -1.01 0.00 0.00 55.97 53.29 2fki s LYS 40 Cb -0.09 0.15 -0.01 0.00 -1.01 0.00 0.00 37.83 36.87 2fki s LYS 40 CO 0.01 -0.41 -0.20 -1.83 0.51 0.00 0.00 175.35 173.42 2fki s GLU 41 N -4.01 2.03 -0.03 1.68 -1.05 -1.26 -0.05 118.70 116.01 2fki s GLU 41 Ca 0.39 -0.72 -0.00 0.00 -0.15 0.00 0.00 54.97 54.48 2fki s GLU 41 Cb 0.06 -1.76 0.03 0.00 -0.44 0.00 0.00 34.13 32.02 2fki s GLU 41 CO 0.15 0.31 0.02 0.54 0.95 0.00 0.00 175.26 177.23 2fki s VAL 42 N -0.08 0.03 -1.52 1.83 0.11 0.17 -4.76 120.40 116.17 2fki s VAL 42 Ca -0.03 0.19 -0.00 0.00 -2.93 0.00 0.00 61.98 59.22 2fki s VAL 42 Cb -0.12 -0.17 0.00 0.00 -1.53 0.00 0.00 36.38 34.56 2fki s VAL 42 CO 0.02 0.13 0.02 -0.62 -3.33 0.00 0.00 175.10 171.32 2fki n GLU 43 N 4.34 -1.52 -1.56 1.54 1.02 -1.26 -0.96 120.64 122.24 2fki n GLU 43 Ca -0.24 0.86 -0.17 0.00 -0.02 0.00 0.00 57.16 57.59 2fki n GLU 43 Cb 0.50 -5.36 -0.07 0.00 -0.02 0.00 0.00 31.44 26.50 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 -1.42 -5.08 -4.17 1.62 5.15 -1.26 -4.98 115.26 105.12 2fki n ASN 44 Ca -0.21 0.39 -0.33 0.00 -0.60 0.00 0.00 54.58 53.84 2fki n ASN 44 Cb 0.66 -4.10 -0.16 0.00 -0.53 0.00 0.00 39.78 35.65 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 -3.57 3.04 0.39 1.20 0.52 -0.13 -5.11 118.95 115.28 2fki s ARG 45 Ca 0.00 -0.83 -0.27 0.00 -0.52 0.00 0.00 55.73 54.11 2fki s ARG 45 Cb 0.00 -2.50 -0.09 0.00 0.52 0.00 0.00 34.95 32.87 2fki s ARG 45 CO 0.00 -0.07 1.36 -1.25 0.02 0.00 0.00 175.30 175.36 2fki s PRO 46 N 0.97 4.04 -0.01 3.54 0.04 -1.26 -0.66 135.00 141.66 2fki s PRO 46 Ca -0.03 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2fki s PRO 46 Cb -0.15 -2.86 0.01 0.00 0.04 0.00 0.00 34.50 31.54 2fki s PRO 46 CO -0.05 -0.49 -0.01 0.00 0.04 0.00 0.00 177.00 176.50 2fki s ALA 47 N -1.19 0.11 0.07 8.56 0.00 0.93 -0.19 121.76 130.05 2fki s ALA 47 Ca 0.55 0.01 0.07 0.00 0.00 0.00 0.00 51.96 52.59 2fki s ALA 47 Cb -0.41 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 2fki s ALA 47 CO 0.54 -0.00 -0.16 0.54 0.00 0.00 0.00 175.76 176.68 2fki s VAL 48 N 0.19 2.97 -0.07 0.00 0.11 0.28 -0.60 120.40 123.29 2fki s VAL 48 Ca -0.02 -1.25 -0.03 0.00 -2.93 0.00 0.00 61.98 57.76 2fki s VAL 48 Cb -0.03 -2.31 0.04 0.00 -1.53 0.00 0.00 36.38 32.54 2fki s VAL 48 CO -0.01 0.24 0.07 -0.44 -3.33 0.00 0.00 175.10 171.63 2fki s SER 49 N -1.76 1.39 0.39 3.54 0.01 0.18 0.19 113.70 117.65 2fki s SER 49 Ca 0.17 -0.06 0.06 0.00 1.31 0.00 0.00 55.95 57.42 2fki s SER 49 Cb -0.11 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.96 2fki s SER 49 CO 0.08 -0.27 0.54 -0.76 0.41 0.00 0.00 173.24 173.24 2fki s LEU 50 N 2.16 3.79 1.04 2.44 1.02 -1.24 -0.36 118.68 127.54 2fki s LEU 50 Ca 0.04 -0.21 -0.13 0.00 0.02 0.00 0.00 54.13 53.86 2fki s LEU 50 Cb -0.13 -2.77 0.21 0.00 0.02 0.00 0.00 46.19 43.53 2fki s LEU 50 CO -0.04 -0.61 1.08 -0.75 0.02 0.00 0.00 176.35 176.05 2fki s LYS 51 N -4.31 0.09 -1.08 1.70 2.20 -0.43 -3.72 119.74 114.19 2fki s LYS 51 Ca 0.49 0.53 -0.22 0.00 -0.36 0.00 0.00 55.97 56.42 2fki s LYS 51 Cb -0.10 -1.70 -0.09 0.00 -1.51 0.00 0.00 37.83 34.44 2fki s LYS 51 CO 0.33 -2.97 1.92 0.25 -0.36 0.00 0.00 175.35 174.52 2fki n THR 52 N -4.34 2.17 -2.96 3.43 -2.24 -1.26 -4.90 114.28 104.17 2fki n THR 52 Ca 0.05 -2.14 -0.35 0.00 -2.27 0.00 0.00 64.05 59.34 2fki n THR 52 Cb 0.57 -2.25 -0.06 0.00 -2.10 0.00 0.00 70.33 66.48 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 5.64 7.04 0.11 3.42 0.01 -1.26 -4.98 113.70 123.69 2fki s SER 53 Ca 0.63 1.56 -0.27 0.00 1.31 0.00 0.00 55.95 59.18 2fki s SER 53 Cb 0.05 -2.48 -0.09 0.00 0.21 0.00 0.00 66.02 63.71 2fki s SER 53 CO 0.12 -0.14 1.65 1.55 0.41 0.00 0.00 173.24 176.83 2fki h PRO 54 N 2.73 -0.42 -0.29 12.44 0.13 -2.00 -1.37 132.00 143.23 2fki h PRO 54 Ca -0.48 0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 2fki h PRO 54 Cb 1.19 0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2fki h PRO 54 CO 0.64 -0.28 0.09 0.93 -0.23 0.00 0.00 178.00 179.15 2fki h GLU 55 N -0.43 0.41 -0.24 0.86 5.08 -1.98 0.45 114.58 118.73 2fki h GLU 55 Ca 0.02 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2fki h GLU 55 Cb 0.45 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2fki h GLU 55 CO -0.12 0.37 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.07 2fki h LEU 56 N 0.41 0.52 -0.43 1.33 -0.00 -1.86 0.10 115.31 115.38 2fki h LEU 56 Ca 0.10 -0.41 -0.05 0.00 -0.00 0.00 0.00 57.88 57.52 2fki h LEU 56 Cb 0.13 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.63 2fki h LEU 56 CO -0.01 0.81 0.08 0.00 -0.00 0.00 0.00 178.44 179.32 2fki h ALA 57 N 0.72 0.58 -0.90 1.53 0.00 -0.77 -2.85 119.26 117.56 2fki h ALA 57 Ca 0.05 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2fki h ALA 57 Cb 0.62 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2fki h ALA 57 CO 0.04 0.29 0.60 0.93 0.00 0.00 0.00 179.25 181.10 2fki h GLU 58 N 0.58 1.17 -0.28 0.00 5.08 -0.85 -2.20 114.58 118.08 2fki h GLU 58 Ca 0.13 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 2fki h GLU 58 Cb 0.36 -0.26 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 2fki h GLU 58 CO 0.01 0.78 -0.16 1.25 -1.00 0.00 0.00 179.01 179.89 2fki h LEU 59 N 1.21 -0.52 -1.23 1.33 6.46 -0.57 -0.17 115.31 121.82 2fki h LEU 59 Ca 0.34 0.12 -0.08 0.00 -0.12 0.00 0.00 57.88 58.13 2fki h LEU 59 Cb -0.12 0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 2fki h LEU 59 CO -0.08 -0.19 -0.36 -0.07 -0.62 0.00 0.00 178.44 177.12 2fki h LEU 60 N -0.12 0.05 -0.39 2.25 4.07 -1.29 0.51 115.31 120.39 2fki h LEU 60 Ca 0.15 -0.02 -0.19 0.00 0.08 0.00 0.00 57.88 57.91 2fki h LEU 60 Cb 0.35 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.07 2fki h LEU 60 CO -0.36 0.41 -0.71 0.03 -1.08 0.00 0.00 178.44 176.73 2fki h ARG 61 N 0.04 0.48 0.01 1.13 2.47 -0.72 -3.34 114.38 114.45 2fki h ARG 61 Ca 0.00 -0.38 -0.14 0.00 -1.26 0.00 0.00 59.98 58.21 2fki h ARG 61 Cb 0.65 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.03 2fki h ARG 61 CO 0.05 1.01 -0.76 1.96 0.56 0.00 0.00 179.97 182.79 2fki h GLN 62 N 0.34 0.01 -4.77 0.04 7.50 -0.79 -3.44 115.11 114.00 2fki h GLN 62 Ca -0.03 -0.02 -0.67 0.00 0.50 0.00 0.00 58.65 58.43 2fki h GLN 62 Cb 1.28 0.01 -0.19 0.00 0.05 0.00 0.00 27.48 28.64 2fki h GLN 62 CO 0.13 1.01 -0.50 -0.65 -1.50 0.00 0.00 178.83 177.32 2fki s GLN 63 N -2.31 3.59 0.39 1.46 -0.21 0.18 -4.95 119.66 117.80 2fki s GLN 63 Ca -0.24 -0.57 0.06 0.00 0.02 0.00 0.00 55.36 54.62 2fki s GLN 63 Cb 0.02 -3.75 0.78 0.00 1.00 0.00 0.00 33.01 31.07 2fki s GLN 63 CO 0.64 -0.38 2.02 1.25 -2.12 0.00 0.00 175.29 176.70 2fki h HIS 64 N 8.45 0.55 -1.96 0.91 -0.00 -1.82 -3.36 115.15 117.92 2fki h HIS 64 Ca -0.32 -0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.15 2fki h HIS 64 Cb 1.16 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 28.37 2fki h HIS 64 CO 0.68 0.39 -0.13 0.43 -0.00 0.00 0.00 177.93 179.29 2fki n SER 65 N -4.43 -5.61 -3.65 3.26 7.64 -1.26 -4.68 113.62 104.89 2fki n SER 65 Ca 0.03 0.40 -0.28 0.00 1.01 0.00 0.00 58.87 60.03 2fki n SER 65 Cb 0.09 -1.13 -0.12 0.00 -1.01 0.00 0.00 64.21 62.05 2fki n SER 65 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2fki s ASP 66 N -4.71 3.23 -0.05 6.43 2.15 -1.26 -5.09 116.67 117.36 2fki s ASP 66 Ca 0.00 -3.09 -0.13 0.00 0.43 0.00 0.00 52.55 49.75 2fki s ASP 66 Cb 0.00 -0.98 0.03 0.00 -0.30 0.00 0.00 42.92 41.66 2fki s ASP 66 CO 0.00 -0.19 0.31 0.54 -0.17 0.00 0.00 175.17 175.66 2fki s VAL 67 N -0.22 0.04 -0.36 1.11 0.11 -1.26 -4.79 120.40 115.04 2fki s VAL 67 Ca 0.25 -0.32 -0.01 0.00 -2.93 0.00 0.00 61.98 58.96 2fki s VAL 67 Cb -0.10 -0.55 0.09 0.00 -1.53 0.00 0.00 36.38 34.29 2fki s VAL 67 CO -0.11 -0.18 0.10 -0.13 -3.33 0.00 0.00 175.10 171.45 2fki s ARG 68 N -0.82 2.03 1.04 1.54 3.00 -1.26 -5.10 118.95 119.37 2fki s ARG 68 Ca -0.09 -1.65 -0.18 0.00 0.00 0.00 0.00 55.73 53.81 2fki s ARG 68 Cb -0.04 -3.36 0.25 0.00 0.00 0.00 0.00 34.95 31.79 2fki s ARG 68 CO 0.03 -0.89 1.18 -2.30 0.00 0.00 0.00 175.30 173.31 2fki n PRO 69 N 4.52 -2.01 -2.27 3.54 -0.02 -1.26 -4.86 135.00 132.65 2fki n PRO 69 Ca -0.05 -1.84 -0.04 0.00 -2.02 0.00 0.00 63.50 59.56 2fki n PRO 69 Cb 0.42 -1.42 -0.03 0.00 -0.02 0.00 0.00 33.50 32.45 2fki n PRO 69 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2fki n SER 70 N -4.23 -1.48 0.00 2.55 7.64 -1.26 -5.10 113.62 111.73 2fki n SER 70 Ca 0.15 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.97 2fki n SER 70 Cb 0.56 -3.97 0.00 0.00 -1.01 0.00 0.00 64.21 59.79 2fki n SER 70 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2fki n ARG 71 N 1.09 0.00 -0.21 1.43 3.00 -1.26 -5.03 116.66 115.68 2fki n ARG 71 Ca -0.26 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.55 2fki n ARG 71 Cb 0.40 0.00 0.13 0.00 0.00 0.00 0.00 32.46 33.00 2fki n ARG 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2fki h HIS 72 N 0.00 1.03 -3.86 -0.14 2.76 -2.02 -3.42 115.15 109.50 2fki h HIS 72 Ca 0.00 -0.09 -0.47 0.00 -2.20 0.00 0.00 60.37 57.61 2fki h HIS 72 Cb 0.00 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 28.63 2fki h HIS 72 CO 0.00 0.81 0.30 -0.51 -1.30 0.00 0.00 177.93 177.23 2fki s LEU 73 N -9.53 4.25 0.08 0.26 1.43 -1.26 -5.04 118.68 108.87 2fki s LEU 73 Ca -0.11 1.72 -0.25 0.00 -1.03 0.00 0.00 54.13 54.46 2fki s LEU 73 Cb 0.16 -4.06 -0.06 0.00 0.03 0.00 0.00 46.19 42.25 2fki s LEU 73 CO 0.82 -0.12 0.75 0.21 0.23 0.00 0.00 176.35 178.24 2fki s ASN 74 N -1.77 7.25 0.53 2.29 2.47 -1.26 -4.83 114.94 119.61 2fki s ASN 74 Ca 0.52 1.48 0.19 0.00 0.42 0.00 0.00 52.86 55.47 2fki s ASN 74 Cb -0.16 -2.47 1.32 0.00 -1.45 0.00 0.00 41.25 38.50 2fki s ASN 74 CO 0.21 0.09 2.10 0.50 -3.72 0.00 0.00 177.10 176.28 2fki h LYS 75 N 5.21 0.00 -0.59 0.43 3.64 -1.93 -1.73 116.57 121.59 2fki h LYS 75 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2fki h LYS 75 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2fki h LYS 75 CO 0.69 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.87 2fki n ALA 76 N -2.57 2.24 0.08 5.00 0.00 -1.26 -3.72 120.51 120.29 2fki n ALA 76 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2fki n ALA 76 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2fki n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2fki n HIS 77 N -0.07 -1.10 -4.20 0.00 8.25 -0.66 -5.10 115.22 112.34 2fki n HIS 77 Ca 0.00 0.19 -0.12 0.00 -0.26 0.00 0.00 57.72 57.54 2fki n HIS 77 Cb 0.15 0.28 -0.10 0.00 1.12 0.00 0.00 29.99 31.44 2fki n HIS 77 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2fki s TRP 78 N -1.87 1.05 -0.10 4.41 0.52 -1.19 -4.50 118.94 117.26 2fki s TRP 78 Ca 0.00 -1.07 0.02 0.00 0.02 0.00 0.00 56.10 55.07 2fki s TRP 78 Cb 0.00 -0.60 0.01 0.00 -1.15 0.00 0.00 33.47 31.73 2fki s TRP 78 CO 0.00 -0.29 -0.15 -1.12 0.02 0.00 0.00 176.95 175.41 2fki s SER 79 N -3.12 2.32 -0.34 2.95 0.01 -1.24 -4.26 113.70 110.02 2fki s SER 79 Ca 0.22 -0.40 -0.11 0.00 1.31 0.00 0.00 55.95 56.96 2fki s SER 79 Cb 0.06 -1.04 -0.01 0.00 0.21 0.00 0.00 66.02 65.25 2fki s SER 79 CO 0.02 0.03 0.20 -0.89 0.41 0.00 0.00 173.24 173.01 2fki s THR 80 N 0.88 4.92 -0.31 1.44 2.01 -1.26 -3.62 115.64 119.70 2fki s THR 80 Ca -0.09 -0.40 -0.10 0.00 0.31 0.00 0.00 61.69 61.40 2fki s THR 80 Cb -0.15 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 2fki s THR 80 CO 0.00 -0.02 0.18 -0.69 -0.69 0.00 0.00 174.62 173.40 2fki s VAL 81 N 1.66 4.84 0.03 3.82 1.01 0.13 -4.80 120.40 127.08 2fki s VAL 81 Ca 0.05 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 2fki s VAL 81 Cb -0.18 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 2fki s VAL 81 CO 0.08 0.08 1.16 -0.31 0.00 0.00 0.00 175.10 176.11 2fki s TYR 82 N 1.66 3.42 -1.51 5.22 1.51 -1.26 -0.56 117.35 125.83 2fki s TYR 82 Ca 0.05 1.35 -0.11 0.00 -1.01 0.00 0.00 57.07 57.35 2fki s TYR 82 Cb -0.17 -3.37 -0.05 0.00 -0.11 0.00 0.00 41.96 38.26 2fki s TYR 82 CO 0.08 -1.07 2.67 1.28 -1.11 0.00 0.00 175.55 177.40 2fki n LEU 83 N 4.20 7.86 0.00 -1.29 4.77 0.74 -3.64 117.00 129.64 2fki n LEU 83 Ca 0.09 -4.17 0.00 0.00 -0.03 0.00 0.00 56.01 51.90 2fki n LEU 83 Cb 0.47 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 2fki n LEU 83 CO 0.55 1.64 -0.06 -0.67 -1.33 0.00 0.00 177.39 177.52 2fki n ASP 84 N 4.46 0.39 -3.53 -1.43 2.03 -1.26 -4.64 116.55 112.57 2fki n ASP 84 Ca 0.68 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.59 2fki n ASP 84 Cb 0.28 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.67 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 1.73 4.88 5.71 0.27 0.00 -1.24 -4.87 105.19 111.66 2fki n GLY 85 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 2.79 0.00 -3.20 1.61 2.88 -1.26 -4.91 113.62 111.52 2fki n SER 86 Ca 0.61 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.91 2fki n SER 86 Cb 0.27 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.76 2fki n SER 86 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2fki n LEU 87 N 0.00 -4.96 -4.77 2.46 7.99 -1.26 -4.90 117.00 111.56 2fki n LEU 87 Ca 0.00 0.20 -0.40 0.00 -0.01 0.00 0.00 56.01 55.80 2fki n LEU 87 Cb 0.00 -2.40 0.02 0.00 -0.11 0.00 0.00 43.42 40.93 2fki n LEU 87 CO 0.00 -1.13 1.09 -2.16 -1.51 0.00 0.00 177.39 173.68 2fki s PRO 88 N -2.44 3.74 0.57 3.23 0.04 -1.26 -4.88 135.00 134.01 2fki s PRO 88 Ca 0.31 2.47 0.37 0.00 0.04 0.00 0.00 61.00 64.19 2fki s PRO 88 Cb -0.05 -2.71 1.82 0.00 0.04 0.00 0.00 34.50 33.60 2fki s PRO 88 CO 0.80 -0.79 2.12 0.38 0.04 0.00 0.00 177.00 179.55 2fki h ASP 89 N 2.43 0.00 0.03 6.66 2.03 -1.98 -1.03 116.42 124.55 2fki h ASP 89 Ca -0.51 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.76 2fki h ASP 89 Cb 1.26 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.75 2fki h ASP 89 CO 0.62 0.00 -0.08 0.28 -1.03 0.00 0.00 179.24 179.02 2fki h SER 90 N 0.00 0.13 -0.08 4.15 0.02 -2.00 -0.50 113.55 115.26 2fki h SER 90 Ca 0.00 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 2fki h SER 90 Cb 0.24 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2fki h SER 90 CO 0.00 0.23 -0.24 1.56 -1.14 0.00 0.00 176.83 177.24 2fki h GLN 91 N 0.13 0.31 -0.98 3.45 1.08 -1.55 -3.24 115.11 114.32 2fki h GLN 91 Ca 0.03 -0.22 0.03 0.00 -1.45 0.00 0.00 58.65 57.04 2fki h GLN 91 Cb 0.24 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.65 2fki h GLN 91 CO 0.01 0.84 0.65 0.82 -0.95 0.00 0.00 178.83 180.20 2fki h ILE 92 N -0.16 1.19 -0.86 2.54 2.04 -1.45 -1.26 117.51 119.56 2fki h ILE 92 Ca -0.01 -0.43 0.11 0.00 1.00 0.00 0.00 64.86 65.53 2fki h ILE 92 Cb 0.86 -0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 36.68 2fki h ILE 92 CO 0.05 0.23 0.49 0.22 0.00 0.00 0.00 178.15 179.15 2fki h TYR 93 N 1.26 0.89 0.06 1.37 3.20 -1.13 -1.20 116.97 121.42 2fki h TYR 93 Ca 0.38 0.03 -0.25 0.00 3.14 0.00 0.00 58.73 62.03 2fki h TYR 93 Cb -0.04 -0.27 0.01 0.00 1.54 0.00 0.00 36.73 37.97 2fki h TYR 93 CO -0.00 0.34 -1.08 -0.92 -1.64 0.00 0.00 178.16 174.85 2fki h TYR 94 N 0.79 0.59 -0.78 -3.82 3.20 -1.42 -3.25 116.97 112.29 2fki h TYR 94 Ca 0.43 -0.37 0.03 0.00 3.14 0.00 0.00 58.73 61.96 2fki h TYR 94 Cb 0.44 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.61 2fki h TYR 94 CO -0.06 1.22 0.50 -0.07 -1.64 0.00 0.00 178.16 178.12 2fki h LEU 95 N 0.17 0.84 -0.55 2.82 3.38 -0.23 0.12 115.31 121.86 2fki h LEU 95 Ca -0.11 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2fki h LEU 95 Cb 1.75 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.29 2fki h LEU 95 CO 0.18 0.58 0.22 0.58 0.09 0.00 0.00 178.44 180.10 2fki h VAL 96 N 0.99 1.22 -0.38 1.22 2.07 -1.34 -1.04 116.25 118.98 2fki h VAL 96 Ca 0.31 -0.68 -0.16 0.00 0.82 0.00 0.00 66.70 66.99 2fki h VAL 96 Cb -0.02 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2fki h VAL 96 CO -0.10 0.26 -0.37 -0.78 0.02 0.00 0.00 177.57 176.60 2fki h ASP 97 N 0.75 0.98 -0.35 0.57 3.58 -1.44 -1.65 116.42 118.84 2fki h ASP 97 Ca 0.18 -0.44 -0.03 0.00 0.42 0.00 0.00 57.03 57.16 2fki h ASP 97 Cb 0.19 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 2fki h ASP 97 CO -0.02 1.23 0.10 0.00 -2.88 0.00 0.00 179.24 177.68 2fki h ALA 98 N 0.81 0.46 -0.19 -0.78 0.00 -0.63 0.11 119.26 119.04 2fki h ALA 98 Ca 0.06 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2fki h ALA 98 Cb 0.96 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2fki h ALA 98 CO 0.09 0.11 -0.41 0.66 0.00 0.00 0.00 179.25 179.71 2fki h SER 99 N 0.41 0.46 -0.42 0.00 4.64 -1.16 -2.53 113.55 114.95 2fki h SER 99 Ca 0.11 -0.20 -0.11 0.00 -0.47 0.00 0.00 61.79 61.12 2fki h SER 99 Cb 0.27 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 2fki h SER 99 CO -0.00 0.82 -0.17 0.22 -0.87 0.00 0.00 176.83 176.83 2fki h TYR 100 N 0.36 0.98 0.19 4.77 3.20 -1.15 -3.01 116.97 122.31 2fki h TYR 100 Ca 0.03 -0.24 0.01 0.00 3.14 0.00 0.00 58.73 61.67 2fki h TYR 100 Cb 0.87 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 2fki h TYR 100 CO 0.03 1.00 -0.21 0.37 -1.64 0.00 0.00 178.16 177.72 2fki h GLN 101 N 0.68 -0.42 -0.33 1.82 -0.00 -0.68 -2.30 115.11 113.88 2fki h GLN 101 Ca 0.10 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.78 2fki h GLN 101 Cb 0.73 0.09 -0.02 0.00 0.00 0.00 0.00 27.48 28.29 2fki h GLN 101 CO 0.06 -0.28 0.22 -0.56 0.00 0.00 0.00 178.83 178.26 2fki h GLN 102 N -0.43 0.43 -0.61 1.69 3.07 -1.53 -1.74 115.11 115.99 2fki h GLN 102 Ca 0.01 -0.03 -0.04 0.00 0.09 0.00 0.00 58.65 58.68 2fki h GLN 102 Cb 0.42 -0.10 -0.03 0.00 0.08 0.00 0.00 27.48 27.85 2fki h GLN 102 CO -0.06 0.28 0.21 0.00 0.09 0.00 0.00 178.83 179.35 2fki h ALA 103 N 1.80 0.80 -0.56 0.06 0.00 -1.29 -2.32 119.26 117.75 2fki h ALA 103 Ca 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2fki h ALA 103 Cb -0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2fki h ALA 103 CO -0.03 0.45 0.22 0.28 0.00 0.00 0.00 179.25 180.17 2fki h VAL 104 N 0.86 1.20 0.00 0.00 2.07 -0.81 -1.93 116.25 117.64 2fki h VAL 104 Ca 0.20 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 2fki h VAL 104 Cb 0.26 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2fki h VAL 104 CO -0.01 0.25 -0.31 0.78 0.02 0.00 0.00 177.57 178.30 2fki h ASN 105 N 0.79 0.00 0.58 0.57 2.35 -1.08 -2.22 115.58 116.58 2fki h ASN 105 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2fki h ASN 105 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2fki h ASN 105 CO -0.02 0.31 -0.29 0.18 -1.65 0.00 0.00 177.43 175.96 2fki n LEU 106 N -3.81 0.42 -4.77 1.61 4.77 -0.77 -4.85 117.00 109.61 2fki n LEU 106 Ca -0.01 0.10 -0.39 0.00 -0.03 0.00 0.00 56.01 55.68 2fki n LEU 106 Cb 0.40 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 2fki n LEU 106 CO 0.36 0.09 0.42 -0.76 -1.33 0.00 0.00 177.39 176.17 2fki s LEU 107 N -2.87 4.51 0.83 2.23 1.43 -0.84 -5.06 118.68 118.91 2fki s LEU 107 Ca 0.16 1.45 -0.11 0.00 -1.03 0.00 0.00 54.13 54.59 2fki s LEU 107 Cb 0.18 -3.16 0.10 0.00 0.03 0.00 0.00 46.19 43.34 2fki s LEU 107 CO 0.61 0.14 1.14 -2.84 0.23 0.00 0.00 176.35 175.62 2fki s PRO 108 N -0.63 1.64 0.22 1.29 0.02 -1.26 -4.74 135.00 131.54 2fki s PRO 108 Ca 0.35 1.47 -0.08 0.00 0.02 0.00 0.00 61.00 62.76 2fki s PRO 108 Cb -0.21 -1.80 0.35 0.00 0.02 0.00 0.00 34.50 32.86 2fki s PRO 108 CO 0.23 -2.15 1.69 1.49 -0.33 0.00 0.00 177.00 177.92 2fki h GLU 109 N -1.30 0.23 -0.54 5.54 4.57 -1.97 -1.47 114.58 119.65 2fki h GLU 109 Ca -0.44 -0.01 0.11 0.00 -1.18 0.00 0.00 59.36 57.83 2fki h GLU 109 Cb 1.26 -0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 29.69 2fki h GLU 109 CO 0.46 0.15 -0.17 1.49 -1.18 0.00 0.00 179.01 179.76 2fki h GLU 110 N 0.24 -0.04 -0.41 1.92 4.81 -2.00 0.22 114.58 119.31 2fki h GLU 110 Ca 0.35 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.54 2fki h GLU 110 Cb 0.56 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2fki h GLU 110 CO -0.46 -0.03 0.08 0.87 -0.73 0.00 0.00 179.01 178.74 2fki h LYS 111 N -0.04 0.67 -0.96 1.92 6.56 -1.66 -2.82 116.57 120.25 2fki h LYS 111 Ca 0.26 -0.17 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 2fki h LYS 111 Cb 0.44 -0.08 -0.05 0.00 -0.57 0.00 0.00 32.23 31.97 2fki h LYS 111 CO -0.58 0.71 0.61 0.00 -2.06 0.00 0.00 179.45 178.14 2fki h ARG 112 N 0.53 1.28 -0.34 3.15 3.08 -0.37 -1.72 114.38 119.99 2fki h ARG 112 Ca 0.13 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2fki h ARG 112 Cb 0.35 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2fki h ARG 112 CO 0.01 0.87 0.23 0.87 -1.07 0.00 0.00 179.97 180.87 2fki h LYS 113 N 1.31 0.45 -0.41 0.04 1.79 -0.50 -2.28 116.57 116.97 2fki h LYS 113 Ca 0.35 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.81 2fki h LYS 113 Cb -0.11 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.41 2fki h LYS 113 CO -0.07 0.30 0.23 -0.07 -1.08 0.00 0.00 179.45 178.76 2fki h LEU 114 N 0.46 0.37 -1.47 2.94 3.38 -1.17 -1.69 115.31 118.12 2fki h LEU 114 Ca 0.13 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2fki h LEU 114 Cb -0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2fki h LEU 114 CO -0.03 0.26 -0.27 -0.07 0.09 0.00 0.00 178.44 178.43 2fki h LEU 115 N 0.47 0.00 0.10 1.67 3.38 -1.12 -2.75 115.31 117.06 2fki h LEU 115 Ca 0.17 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.85 2fki h LEU 115 Cb 0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.79 2fki h LEU 115 CO -0.09 0.27 -1.24 0.58 0.09 0.00 0.00 178.44 178.04 2fki h VAL 116 N 0.00 1.42 0.00 1.22 2.07 -0.94 -3.30 116.25 116.72 2fki h VAL 116 Ca -0.00 -2.83 -0.08 0.00 0.82 0.00 0.00 66.70 64.61 2fki h VAL 116 Cb 0.47 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 2fki h VAL 116 CO 0.03 0.84 -0.39 1.56 0.02 0.00 0.00 177.57 179.63 2fki h GLN 117 N 0.14 0.00 -0.00 1.57 1.08 -1.05 -3.52 115.11 113.33 2fki h GLN 117 Ca -0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 2fki h GLN 117 Cb 1.94 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.37 2fki h GLN 117 CO 0.22 0.39 0.00 1.28 -0.95 0.00 0.00 178.83 179.77