#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 2.85 0.38 1.12 -4.23 -1.26 -4.85 115.64 109.66 2fki s THR 2 Ca 0.00 0.28 0.05 0.00 -1.18 0.00 0.00 61.69 60.84 2fki s THR 2 Cb 0.00 -3.05 0.27 0.00 1.34 0.00 0.00 72.50 71.06 2fki s THR 2 CO 0.00 -0.36 2.03 0.40 -0.54 0.00 0.00 174.62 176.15 2fki h ILE 3 N -1.13 1.11 -0.95 2.99 1.08 -2.01 -1.15 117.51 117.45 2fki h ILE 3 Ca -0.47 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 63.76 2fki h ILE 3 Cb 1.28 0.37 -0.05 0.00 -3.07 0.00 0.00 36.82 35.36 2fki h ILE 3 CO 0.60 0.12 0.60 -1.28 -0.69 0.00 0.00 178.15 177.51 2fki h SER 4 N 0.68 1.11 -0.30 1.72 0.87 -1.99 0.31 113.55 115.96 2fki h SER 4 Ca 0.20 -0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.55 2fki h SER 4 Cb -0.03 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 2fki h SER 4 CO -0.05 0.83 -0.41 -0.33 -0.53 0.00 0.00 176.83 176.34 2fki h GLU 5 N 1.29 0.85 -0.37 2.24 5.08 -1.65 -1.83 114.58 120.19 2fki h GLU 5 Ca 0.34 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2fki h GLU 5 Cb -0.11 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2fki h GLU 5 CO -0.07 1.10 0.14 1.25 -1.00 0.00 0.00 179.01 180.42 2fki h LEU 6 N 0.69 0.52 -0.99 1.33 7.12 -0.48 0.09 115.31 123.60 2fki h LEU 6 Ca 0.05 -0.18 0.01 0.00 0.13 0.00 0.00 57.88 57.89 2fki h LEU 6 Cb 0.99 -0.14 -0.05 0.00 -0.53 0.00 0.00 40.66 40.93 2fki h LEU 6 CO 0.10 0.56 0.65 -0.07 -0.13 0.00 0.00 178.44 179.55 2fki h LEU 7 N 0.45 1.13 -0.64 2.25 3.38 -0.36 -1.14 115.31 120.38 2fki h LEU 7 Ca 0.12 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2fki h LEU 7 Cb 0.21 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2fki h LEU 7 CO -0.01 0.81 0.26 -0.61 0.09 0.00 0.00 178.44 178.98 2fki h GLN 8 N 1.33 0.95 -0.55 1.13 4.15 -0.91 -2.24 115.11 118.97 2fki h GLN 8 Ca 0.37 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 2fki h GLN 8 Cb -0.14 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.37 2fki h GLN 8 CO -0.08 0.80 0.26 -0.92 -1.93 0.00 0.00 178.83 176.95 2fki h TYR 9 N 0.90 0.77 0.00 3.99 3.20 -0.26 -1.01 116.97 124.57 2fki h TYR 9 Ca 0.21 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2fki h TYR 9 Cb 0.20 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.22 2fki h TYR 9 CO 0.01 0.58 0.00 0.00 -1.64 0.00 0.00 178.16 177.11 2fki n MET 11 N -2.67 0.04 -0.01 0.00 2.81 -0.39 -2.46 117.12 114.44 2fki n MET 11 Ca 0.02 0.03 0.14 0.00 -1.81 0.00 0.00 57.70 56.08 2fki n MET 11 Cb 0.34 -1.55 0.60 0.00 -0.71 0.00 0.00 33.22 31.90 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 -1.54 2.60 -3.42 3.04 0.00 -0.91 -4.61 120.51 115.66 2fki n ALA 12 Ca 0.07 -0.38 -0.44 0.00 0.00 0.00 0.00 53.44 52.69 2fki n ALA 12 Cb 0.35 -1.24 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 2fki n ALA 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2fki s LYS 13 N -1.97 2.95 -0.59 0.00 -0.14 -1.03 -5.03 119.74 113.93 2fki s LYS 13 Ca 0.39 -1.98 -0.26 0.00 -1.36 0.00 0.00 55.97 52.76 2fki s LYS 13 Cb 0.20 -4.18 -0.03 0.00 -1.68 0.00 0.00 37.83 32.15 2fki s LYS 13 CO 0.33 -1.27 1.95 -2.14 -0.76 0.00 0.00 175.35 173.46 2fki s PRO 14 N 1.04 2.54 0.00 -1.68 0.02 -1.26 -2.03 135.00 133.64 2fki s PRO 14 Ca 0.09 0.74 0.00 0.00 0.02 0.00 0.00 61.00 61.84 2fki s PRO 14 Cb -0.23 -4.42 0.00 0.00 0.02 0.00 0.00 34.50 29.87 2fki s PRO 14 CO -0.02 -2.82 0.00 0.41 -0.33 0.00 0.00 177.00 174.25 2fki n GLY 15 N 5.75 0.87 3.61 0.52 0.00 -1.26 -4.82 105.19 109.86 2fki n GLY 15 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 3.57 -0.15 4.61 0.00 -0.86 -4.29 121.76 124.64 2fki s ALA 16 Ca 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 2fki s ALA 16 Cb 0.00 -2.91 -0.03 0.00 0.00 0.00 0.00 23.12 20.17 2fki s ALA 16 CO 0.00 -0.83 0.02 -2.00 0.00 0.00 0.00 175.76 172.94 2fki s GLU 17 N 2.33 3.66 -0.21 0.00 2.12 0.97 -4.91 118.70 122.66 2fki s GLU 17 Ca 0.21 -0.41 -0.05 0.00 0.36 0.00 0.00 54.97 55.08 2fki s GLU 17 Cb -0.16 -3.03 -0.02 0.00 0.26 0.00 0.00 34.13 31.19 2fki s GLU 17 CO 0.10 0.37 -0.01 -0.65 -0.54 0.00 0.00 175.26 174.53 2fki s GLN 18 N 0.06 3.51 0.09 4.30 -0.21 -1.26 -1.61 119.66 124.53 2fki s GLN 18 Ca 0.03 -0.57 0.07 0.00 0.02 0.00 0.00 55.36 54.91 2fki s GLN 18 Cb -0.13 -3.07 -0.03 0.00 1.00 0.00 0.00 33.01 30.78 2fki s GLN 18 CO 0.02 -0.10 -0.17 -1.54 -2.12 0.00 0.00 175.29 171.38 2fki s SER 19 N 1.27 2.07 -0.19 5.90 1.04 -0.62 -4.95 113.70 118.22 2fki s SER 19 Ca 0.04 -0.66 -0.20 0.00 0.48 0.00 0.00 55.95 55.60 2fki s SER 19 Cb -0.15 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 65.86 2fki s SER 19 CO 0.00 -0.02 0.61 0.54 0.98 0.00 0.00 173.24 175.34 2fki s VAL 20 N -1.30 5.04 -0.38 5.02 0.11 -1.26 -0.06 120.40 127.56 2fki s VAL 20 Ca 0.03 1.14 -0.24 0.00 -2.93 0.00 0.00 61.98 59.98 2fki s VAL 20 Cb -0.10 -3.92 0.01 0.00 -1.53 0.00 0.00 36.38 30.84 2fki s VAL 20 CO 0.03 0.13 0.81 -2.28 -3.33 0.00 0.00 175.10 170.46 2fki s HIS 21 N 1.82 3.08 -0.71 1.54 2.46 0.11 -4.93 115.29 118.66 2fki s HIS 21 Ca 0.28 0.50 -0.07 0.00 0.47 0.00 0.00 55.06 56.25 2fki s HIS 21 Cb -0.16 -3.51 -0.15 0.00 -0.13 0.00 0.00 32.58 28.64 2fki s HIS 21 CO 0.10 -0.81 2.86 0.09 -2.47 0.00 0.00 174.74 174.52 2fki n ASN 22 N 6.55 5.91 -3.24 9.88 3.02 -1.26 -2.35 115.26 133.78 2fki n ASN 22 Ca 0.04 -2.40 -0.03 0.00 -0.03 0.00 0.00 54.58 52.16 2fki n ASN 22 Cb 0.48 -1.29 -0.03 0.00 -0.61 0.00 0.00 39.78 38.33 2fki n ASN 22 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2fki s ASP 23 N 2.42 -0.55 0.00 6.41 2.15 -1.26 -4.79 116.67 121.05 2fki s ASP 23 Ca 0.57 -0.00 0.00 0.00 0.43 0.00 0.00 52.55 53.55 2fki s ASP 23 Cb 0.21 1.55 0.00 0.00 -0.30 0.00 0.00 42.92 44.38 2fki s ASP 23 CO -0.03 -0.32 0.00 0.79 -0.17 0.00 0.00 175.17 175.44 2fki n TRP 24 N 5.39 0.00 -3.16 -5.34 7.02 -1.26 -4.23 117.44 115.85 2fki n TRP 24 Ca 0.02 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.30 2fki n TRP 24 Cb 0.51 -0.07 0.02 0.00 -2.42 0.00 0.00 31.31 29.35 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 -2.00 -2.09 -4.36 -0.99 4.81 -1.15 -4.86 118.16 107.52 2fki n LYS 25 Ca 0.00 1.75 -0.22 0.00 -0.87 0.00 0.00 58.31 58.96 2fki n LYS 25 Cb 0.00 -4.18 -0.13 0.00 0.02 0.00 0.00 35.03 30.74 2fki n LYS 25 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2fki s ALA 26 N -2.25 1.55 -0.29 3.14 0.00 -0.99 -4.63 121.76 118.28 2fki s ALA 26 Ca 0.27 -1.07 -0.18 0.00 0.00 0.00 0.00 51.96 50.98 2fki s ALA 26 Cb -0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2fki s ALA 26 CO 0.81 0.30 0.50 0.99 0.00 0.00 0.00 175.76 178.37 2fki s THR 27 N -1.04 5.06 -0.35 0.00 2.01 0.17 0.09 115.64 121.57 2fki s THR 27 Ca 0.04 0.68 -0.17 0.00 0.31 0.00 0.00 61.69 62.55 2fki s THR 27 Cb -0.09 -3.86 -0.00 0.00 0.01 0.00 0.00 72.50 68.56 2fki s THR 27 CO 0.03 -0.00 0.45 -1.10 -0.69 0.00 0.00 174.62 173.30 2fki s GLN 28 N 2.32 3.55 -0.41 4.92 -0.21 0.91 -1.19 119.66 129.55 2fki s GLN 28 Ca 0.20 -0.31 -0.13 0.00 0.02 0.00 0.00 55.36 55.14 2fki s GLN 28 Cb -0.16 -3.82 0.04 0.00 1.00 0.00 0.00 33.01 30.08 2fki s GLN 28 CO 0.11 -0.62 0.28 0.42 -2.12 0.00 0.00 175.29 173.36 2fki s ILE 29 N 2.23 4.84 0.04 1.08 1.01 -0.05 -1.58 121.20 128.77 2fki s ILE 29 Ca 0.15 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.90 2fki s ILE 29 Cb -0.16 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 2fki s ILE 29 CO 0.13 -0.37 -0.08 -1.59 0.00 0.00 0.00 174.94 173.03 2fki s LYS 30 N 1.59 0.54 0.00 2.79 0.00 -0.63 -3.34 119.74 120.69 2fki s LYS 30 Ca 0.03 -0.79 0.00 0.00 0.00 0.00 0.00 55.97 55.22 2fki s LYS 30 Cb -0.21 -0.28 0.00 0.00 0.00 0.00 0.00 37.83 37.34 2fki s LYS 30 CO 0.07 0.04 0.00 0.28 0.00 0.00 0.00 175.35 175.74 2fki n VAL 31 N 1.39 0.00 0.05 1.79 0.31 -1.02 -0.02 118.33 120.82 2fki n VAL 31 Ca -0.22 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.06 2fki n VAL 31 Cb 0.55 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.45 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 -0.22 -0.16 5.55 4.39 -1.99 -3.40 114.58 118.74 2fki h GLU 32 Ca 0.00 0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.52 2fki h GLU 32 Cb 0.00 0.05 -0.30 0.00 -0.10 0.00 0.00 28.75 28.40 2fki h GLU 32 CO 0.00 -0.15 -0.78 -3.47 -1.16 0.00 0.00 179.01 173.46 2fki n ASP 33 N -3.22 0.34 -4.06 1.42 2.03 -1.26 -5.03 116.55 106.77 2fki n ASP 33 Ca -0.03 -2.06 -0.33 0.00 0.52 0.00 0.00 54.79 52.89 2fki n ASP 33 Cb 0.12 -0.05 -0.13 0.00 -0.72 0.00 0.00 41.12 40.34 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 -1.41 2.77 -0.76 5.18 1.01 -1.26 -5.05 120.40 120.88 2fki s VAL 34 Ca 0.20 -2.30 -0.24 0.00 0.00 0.00 0.00 61.98 59.65 2fki s VAL 34 Cb 0.32 -2.96 0.06 0.00 0.00 0.00 0.00 36.38 33.80 2fki s VAL 34 CO -0.09 -0.66 1.15 -0.22 0.00 0.00 0.00 175.10 175.29 2fki s LEU 35 N 0.91 3.90 -0.04 3.92 2.96 -1.26 -2.44 118.68 126.62 2fki s LEU 35 Ca 0.10 -0.95 0.19 0.00 -0.22 0.00 0.00 54.13 53.25 2fki s LEU 35 Cb -0.21 -2.49 -0.23 0.00 0.50 0.00 0.00 46.19 43.76 2fki s LEU 35 CO -0.06 -1.56 0.49 2.22 -1.32 0.00 0.00 176.35 176.12 2fki n PHE 36 N 8.34 0.35 -3.69 5.38 -1.74 -1.22 -4.51 117.46 120.37 2fki n PHE 36 Ca 0.06 0.12 -0.15 0.00 -0.56 0.00 0.00 57.45 56.91 2fki n PHE 36 Cb 0.48 -0.86 -0.14 0.00 1.52 0.00 0.00 39.48 40.47 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 -3.01 -0.34 -0.19 1.98 0.00 -1.21 -2.41 121.76 116.58 2fki s ALA 37 Ca -0.07 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.64 2fki s ALA 37 Cb 0.10 -0.77 0.04 0.00 0.00 0.00 0.00 23.12 22.49 2fki s ALA 37 CO 0.85 -0.45 -0.09 1.41 0.00 0.00 0.00 175.76 177.48 2fki s MET 38 N 1.96 1.84 -0.02 0.00 1.75 0.62 -0.87 119.30 124.57 2fki s MET 38 Ca -0.02 -0.75 -0.09 0.00 -1.25 0.00 0.00 55.69 53.59 2fki s MET 38 Cb -0.12 -2.30 -0.05 0.00 2.84 0.00 0.00 34.83 35.21 2fki s MET 38 CO -0.07 -0.43 0.27 0.14 -0.65 0.00 0.00 175.02 174.28 2fki s VAL 39 N 1.47 5.29 -0.28 10.11 -7.23 -0.33 0.00 120.40 129.43 2fki s VAL 39 Ca -0.01 0.33 0.01 0.00 -1.81 0.00 0.00 61.98 60.50 2fki s VAL 39 Cb -0.16 -3.56 0.16 0.00 0.56 0.00 0.00 36.38 33.38 2fki s VAL 39 CO -0.08 0.47 0.43 -1.59 -0.31 0.00 0.00 175.10 174.02 2fki s LYS 40 N -1.44 0.42 -0.30 4.82 -2.85 0.11 -0.66 119.74 119.84 2fki s LYS 40 Ca 0.24 0.37 -0.19 0.00 -1.00 0.00 0.00 55.97 55.39 2fki s LYS 40 Cb -0.14 -0.24 -0.01 0.00 -2.06 0.00 0.00 37.83 35.38 2fki s LYS 40 CO 0.13 -0.87 0.55 -1.21 0.10 0.00 0.00 175.35 174.04 2fki s GLU 41 N 2.59 3.88 -0.42 1.78 8.01 -1.26 -3.96 118.70 129.33 2fki s GLU 41 Ca 0.12 0.16 -0.17 0.00 0.01 0.00 0.00 54.97 55.09 2fki s GLU 41 Cb -0.13 -3.72 0.02 0.00 -4.31 0.00 0.00 34.13 25.98 2fki s GLU 41 CO -0.24 -0.51 0.43 0.54 0.01 0.00 0.00 175.26 175.48 2fki s VAL 42 N 2.43 5.10 -1.84 2.63 0.11 -1.12 -4.19 120.40 123.52 2fki s VAL 42 Ca 0.22 -0.34 0.00 0.00 -2.93 0.00 0.00 61.98 58.92 2fki s VAL 42 Cb -0.15 -4.02 0.00 0.00 -1.53 0.00 0.00 36.38 30.67 2fki s VAL 42 CO 0.11 -0.40 0.00 -0.62 -3.33 0.00 0.00 175.10 170.86 2fki n GLU 43 N 5.57 -1.52 -1.37 1.54 -0.58 -1.26 -0.87 120.64 122.14 2fki n GLU 43 Ca -0.08 1.05 -0.05 0.00 -0.42 0.00 0.00 57.16 57.66 2fki n GLU 43 Cb 0.47 -5.57 -0.02 0.00 -0.57 0.00 0.00 31.44 25.76 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 -1.61 -3.23 -4.54 1.62 5.15 -1.26 -5.01 115.26 106.38 2fki n ASN 44 Ca -0.22 0.09 -0.43 0.00 -0.60 0.00 0.00 54.58 53.42 2fki n ASN 44 Cb 0.67 -1.51 -0.04 0.00 -0.53 0.00 0.00 39.78 38.37 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 -2.85 3.42 0.09 1.20 3.00 -0.05 -5.01 118.95 118.75 2fki s ARG 45 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 55.73 55.36 2fki s ARG 45 Cb 0.00 -4.00 -0.09 0.00 0.00 0.00 0.00 34.95 30.86 2fki s ARG 45 CO 0.00 -1.39 1.74 -2.14 0.00 0.00 0.00 175.30 173.52 2fki s PRO 46 N 3.91 4.17 -0.10 3.54 0.02 -1.26 -2.79 135.00 142.48 2fki s PRO 46 Ca 0.34 2.45 -0.04 0.00 0.02 0.00 0.00 61.00 63.77 2fki s PRO 46 Cb -0.11 -3.64 0.05 0.00 0.02 0.00 0.00 34.50 30.82 2fki s PRO 46 CO 0.22 -0.79 0.20 0.00 -0.33 0.00 0.00 177.00 176.30 2fki s ALA 47 N 2.81 -0.34 -0.17 -1.55 0.00 -1.25 -1.05 121.76 120.21 2fki s ALA 47 Ca 0.78 0.73 -0.01 0.00 0.00 0.00 0.00 51.96 53.46 2fki s ALA 47 Cb -0.42 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 2fki s ALA 47 CO 0.34 -0.55 -0.12 0.54 0.00 0.00 0.00 175.76 175.97 2fki s VAL 48 N 2.23 2.92 -0.33 0.00 0.11 -0.94 -0.71 120.40 123.68 2fki s VAL 48 Ca 0.01 -0.68 -0.12 0.00 -2.93 0.00 0.00 61.98 58.26 2fki s VAL 48 Cb -0.12 -2.26 -0.02 0.00 -1.53 0.00 0.00 36.38 32.46 2fki s VAL 48 CO -0.07 0.50 0.22 -0.44 -3.33 0.00 0.00 175.10 171.98 2fki s SER 49 N 0.87 5.95 0.19 3.54 0.01 0.10 -0.78 113.70 123.57 2fki s SER 49 Ca -0.03 -0.43 0.02 0.00 1.31 0.00 0.00 55.95 56.81 2fki s SER 49 Cb -0.15 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 2fki s SER 49 CO -0.00 -0.22 0.34 -0.76 0.41 0.00 0.00 173.24 173.01 2fki s LEU 50 N 1.70 4.28 -0.01 2.44 1.02 0.67 -0.28 118.68 128.50 2fki s LEU 50 Ca 0.06 0.25 0.00 0.00 0.02 0.00 0.00 54.13 54.45 2fki s LEU 50 Cb -0.17 -3.01 0.01 0.00 0.02 0.00 0.00 46.19 43.04 2fki s LEU 50 CO 0.10 -0.01 1.67 1.17 0.02 0.00 0.00 176.35 179.29 2fki n LYS 51 N -0.77 1.04 -1.99 1.70 4.81 -1.01 -2.33 118.16 119.60 2fki n LYS 51 Ca -0.06 -0.08 -0.01 0.00 -0.87 0.00 0.00 58.31 57.29 2fki n LYS 51 Cb 0.54 -1.03 -0.01 0.00 0.02 0.00 0.00 35.03 34.55 2fki n LYS 51 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2fki n THR 52 N 1.11 -9.31 -4.40 3.15 -1.04 -1.26 -4.98 114.28 97.54 2fki n THR 52 Ca 0.01 1.93 -0.23 0.00 -2.04 0.00 0.00 64.05 63.72 2fki n THR 52 Cb 0.51 -5.17 -0.13 0.00 -1.82 0.00 0.00 70.33 63.72 2fki n THR 52 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2fki s SER 53 N -0.40 2.24 0.06 8.00 0.01 -1.26 -5.08 113.70 117.26 2fki s SER 53 Ca -0.07 -0.58 -0.17 0.00 1.31 0.00 0.00 55.95 56.43 2fki s SER 53 Cb 0.00 -0.14 -0.07 0.00 0.21 0.00 0.00 66.02 66.02 2fki s SER 53 CO 0.20 0.07 1.28 -0.65 0.41 0.00 0.00 173.24 174.55 2fki h PRO 54 N 4.53 -0.34 -0.41 12.44 0.11 -2.01 -2.73 132.00 143.59 2fki h PRO 54 Ca -0.43 0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.82 2fki h PRO 54 Cb 1.17 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 2fki h PRO 54 CO 0.42 -0.22 0.30 0.93 -0.21 0.00 0.00 178.00 179.21 2fki h GLU 55 N -0.35 0.01 -0.57 1.05 5.08 -1.99 0.30 114.58 118.12 2fki h GLU 55 Ca 0.00 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2fki h GLU 55 Cb 0.37 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2fki h GLU 55 CO -0.18 0.01 0.16 -0.07 -1.00 0.00 0.00 179.01 177.93 2fki h LEU 56 N 0.01 0.80 -0.13 1.33 -0.00 -1.92 0.23 115.31 115.63 2fki h LEU 56 Ca 0.20 -0.14 -0.17 0.00 -0.00 0.00 0.00 57.88 57.77 2fki h LEU 56 Cb 0.78 -0.21 0.01 0.00 -0.00 0.00 0.00 40.66 41.23 2fki h LEU 56 CO -0.00 0.77 -0.57 0.00 -0.00 0.00 0.00 178.44 178.64 2fki h ALA 57 N 1.34 0.25 -0.60 1.53 0.00 -0.89 -2.61 119.26 118.26 2fki h ALA 57 Ca 0.19 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2fki h ALA 57 Cb 0.27 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2fki h ALA 57 CO -0.01 0.47 0.31 0.93 0.00 0.00 0.00 179.25 180.96 2fki h GLU 58 N 0.27 0.85 -0.14 0.00 3.07 -1.24 -2.15 114.58 115.24 2fki h GLU 58 Ca -0.03 -0.11 0.04 0.00 -0.50 0.00 0.00 59.36 58.75 2fki h GLU 58 Cb 1.20 -0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 28.91 2fki h GLU 58 CO 0.12 0.66 -0.10 1.25 -1.40 0.00 0.00 179.01 179.54 2fki h LEU 59 N 0.82 -0.33 -1.19 1.33 6.46 -0.50 -2.16 115.31 119.73 2fki h LEU 59 Ca 0.21 0.07 -0.08 0.00 -0.12 0.00 0.00 57.88 57.96 2fki h LEU 59 Cb 0.07 0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 2fki h LEU 59 CO -0.03 -0.14 -0.33 0.17 -0.62 0.00 0.00 178.44 177.49 2fki h LEU 60 N -0.11 0.12 -1.06 2.25 8.10 -1.35 0.11 115.31 123.37 2fki h LEU 60 Ca 0.09 -0.04 -0.02 0.00 0.11 0.00 0.00 57.88 58.02 2fki h LEU 60 Cb 0.24 -0.03 -0.04 0.00 -0.44 0.00 0.00 40.66 40.39 2fki h LEU 60 CO -0.21 0.45 0.39 0.03 -4.11 0.00 0.00 178.44 175.00 2fki h ARG 61 N 0.11 1.05 0.05 0.17 -0.00 -0.78 -2.25 114.38 112.73 2fki h ARG 61 Ca 0.01 -0.13 -0.28 0.00 -0.50 0.00 0.00 59.98 59.08 2fki h ARG 61 Cb 0.65 -0.20 -0.03 0.00 0.00 0.00 0.00 29.97 30.39 2fki h ARG 61 CO 0.05 0.78 -1.54 1.96 0.00 0.00 0.00 179.97 181.23 2fki h GLN 62 N 1.05 0.11 0.11 0.04 1.08 -0.85 -3.40 115.11 113.25 2fki h GLN 62 Ca 0.26 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 2fki h GLN 62 Cb 0.06 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2fki h GLN 62 CO -0.04 1.09 -0.05 1.96 -0.95 0.00 0.00 178.83 180.84 2fki h GLN 63 N -0.57 -0.14 0.00 1.46 1.08 -0.85 -3.49 115.11 112.59 2fki h GLN 63 Ca -0.37 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.84 2fki h GLN 63 Cb 1.60 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.06 2fki h GLN 63 CO -0.09 0.18 0.00 0.72 -0.95 0.00 0.00 178.83 178.69 2fki n HIS 64 N -5.01 -0.85 0.00 2.96 8.25 -0.85 -4.83 115.22 114.89 2fki n HIS 64 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2fki n HIS 64 Cb 0.21 0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.49 2fki n HIS 64 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2fki n SER 65 N -2.63 0.00 -0.10 0.41 2.88 -1.26 -3.51 113.62 109.40 2fki n SER 65 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 2fki n SER 65 Cb 0.00 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 63.65 2fki n SER 65 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2fki n ASP 66 N 3.28 0.86 -4.71 -3.46 -0.08 -1.26 -4.84 116.55 106.34 2fki n ASP 66 Ca 0.00 -0.66 -0.41 0.00 -1.51 0.00 0.00 54.79 52.21 2fki n ASP 66 Cb 0.00 0.39 -0.04 0.00 2.34 0.00 0.00 41.12 43.81 2fki n ASP 66 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2fki s VAL 67 N -2.83 4.92 -0.37 5.18 1.01 -1.23 -4.86 120.40 122.21 2fki s VAL 67 Ca 0.14 1.87 0.05 0.00 0.00 0.00 0.00 61.98 64.04 2fki s VAL 67 Cb 0.18 -4.23 0.17 0.00 0.00 0.00 0.00 36.38 32.49 2fki s VAL 67 CO 0.68 0.18 0.49 0.00 0.00 0.00 0.00 175.10 176.45 2fki s ARG 68 N 0.99 0.68 -0.44 2.72 1.70 -1.26 -5.00 118.95 118.34 2fki s ARG 68 Ca 0.47 -0.45 -0.27 0.00 -0.47 0.00 0.00 55.73 55.01 2fki s ARG 68 Cb -0.20 -0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 33.84 2fki s ARG 68 CO 0.24 -1.17 2.07 -2.14 -1.08 0.00 0.00 175.30 173.22 2fki s PRO 69 N 1.78 2.73 0.40 3.89 0.02 -1.26 -4.89 135.00 137.67 2fki s PRO 69 Ca 0.15 1.29 0.08 0.00 0.02 0.00 0.00 61.00 62.54 2fki s PRO 69 Cb -0.10 -4.40 -0.07 0.00 0.02 0.00 0.00 34.50 29.95 2fki s PRO 69 CO -0.09 -2.57 0.01 -1.12 -0.33 0.00 0.00 177.00 172.90 2fki s SER 70 N 8.84 3.94 -1.12 2.53 0.01 -1.26 -5.03 113.70 121.60 2fki s SER 70 Ca 0.85 -1.28 -0.23 0.00 1.31 0.00 0.00 55.95 56.60 2fki s SER 70 Cb -0.20 -0.41 -0.05 0.00 0.21 0.00 0.00 66.02 65.57 2fki s SER 70 CO 0.28 -0.41 1.89 0.00 0.41 0.00 0.00 173.24 175.42 2fki s ARG 71 N -3.72 2.72 -0.02 12.44 1.70 -1.26 -4.58 118.95 126.23 2fki s ARG 71 Ca 0.35 -1.05 0.14 0.00 -0.47 0.00 0.00 55.73 54.70 2fki s ARG 71 Cb 0.07 -5.24 -0.21 0.00 -0.57 0.00 0.00 34.95 29.01 2fki s ARG 71 CO 0.18 -3.58 0.70 -2.39 -1.08 0.00 0.00 175.30 169.14 2fki n HIS 72 N 13.40 1.00 0.11 5.89 1.44 -1.26 -4.91 115.22 130.89 2fki n HIS 72 Ca 0.44 0.36 0.00 0.00 -2.01 0.00 0.00 57.72 56.50 2fki n HIS 72 Cb 0.47 -1.16 0.00 0.00 0.12 0.00 0.00 29.99 29.41 2fki n HIS 72 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2fki n LEU 73 N -3.01 -1.90 -3.90 2.39 4.77 -1.26 -5.13 117.00 108.96 2fki n LEU 73 Ca -0.15 0.49 -0.11 0.00 -0.03 0.00 0.00 56.01 56.22 2fki n LEU 73 Cb 1.00 1.98 -0.10 0.00 -2.33 0.00 0.00 43.42 43.98 2fki n LEU 73 CO 0.44 0.00 -0.21 0.21 -1.33 0.00 0.00 177.39 176.51 2fki s ASN 74 N -2.00 0.08 -0.02 -1.43 2.47 -1.26 -5.10 114.94 107.68 2fki s ASN 74 Ca 0.00 -0.28 -0.15 0.00 0.42 0.00 0.00 52.86 52.85 2fki s ASN 74 Cb 0.00 0.18 -0.08 0.00 -1.45 0.00 0.00 41.25 39.90 2fki s ASN 74 CO 0.00 -0.36 0.67 0.50 -3.72 0.00 0.00 177.10 174.19 2fki h LYS 75 N 4.33 -0.51 -3.89 0.43 1.63 -1.87 -3.41 116.57 113.28 2fki h LYS 75 Ca -0.31 0.03 -0.69 0.00 -0.85 0.00 0.00 60.65 58.84 2fki h LYS 75 Cb 1.20 0.12 -0.36 0.00 -0.60 0.00 0.00 32.23 32.58 2fki h LYS 75 CO 0.41 -0.34 -0.47 0.00 -3.45 0.00 0.00 179.45 175.60 2fki s ALA 76 N -3.94 3.39 0.00 5.00 0.00 -1.26 -4.59 121.76 120.36 2fki s ALA 76 Ca -0.08 -3.01 0.00 0.00 0.00 0.00 0.00 51.96 48.87 2fki s ALA 76 Cb 0.01 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.63 2fki s ALA 76 CO 0.23 -1.98 0.00 1.58 0.00 0.00 0.00 175.76 175.59 2fki n HIS 77 N 3.81 0.00 -4.50 0.00 -0.00 -1.26 -5.12 115.22 108.16 2fki n HIS 77 Ca 0.04 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.91 2fki n HIS 77 Cb 0.38 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 30.14 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 0.00 2.78 -0.06 1.57 0.52 -1.26 -4.43 118.94 118.05 2fki s TRP 78 Ca 0.00 -0.12 0.04 0.00 0.02 0.00 0.00 56.10 56.04 2fki s TRP 78 Cb 0.00 -1.55 0.00 0.00 -1.15 0.00 0.00 33.47 30.77 2fki s TRP 78 CO 0.00 0.34 -0.18 0.45 0.02 0.00 0.00 176.95 177.58 2fki s SER 79 N -1.50 2.32 -0.16 2.95 0.15 -0.99 -4.80 113.70 111.67 2fki s SER 79 Ca 0.17 -0.39 0.01 0.00 0.70 0.00 0.00 55.95 56.43 2fki s SER 79 Cb -0.11 -0.83 0.02 0.00 -1.71 0.00 0.00 66.02 63.39 2fki s SER 79 CO 0.08 0.13 -0.16 -0.89 1.20 0.00 0.00 173.24 173.60 2fki s THR 80 N 0.23 1.75 -0.54 6.45 2.01 -1.26 -0.24 115.64 124.05 2fki s THR 80 Ca -0.09 -0.75 -0.21 0.00 0.31 0.00 0.00 61.69 60.95 2fki s THR 80 Cb -0.14 -1.62 0.06 0.00 0.01 0.00 0.00 72.50 70.81 2fki s THR 80 CO 0.04 0.48 0.77 -0.69 -0.69 0.00 0.00 174.62 174.53 2fki s VAL 81 N 1.42 4.66 -0.91 3.82 1.01 0.04 -4.81 120.40 125.62 2fki s VAL 81 Ca 0.05 -0.23 -0.24 0.00 0.00 0.00 0.00 61.98 61.55 2fki s VAL 81 Cb -0.13 -4.42 0.04 0.00 0.00 0.00 0.00 36.38 31.87 2fki s VAL 81 CO -0.12 -0.98 1.44 -0.31 0.00 0.00 0.00 175.10 175.14 2fki s TYR 82 N 3.20 2.38 -1.21 5.22 1.51 -1.26 -2.22 117.35 124.97 2fki s TYR 82 Ca 0.21 -0.45 -0.20 0.00 -1.01 0.00 0.00 57.07 55.62 2fki s TYR 82 Cb -0.17 -4.62 0.05 0.00 -0.11 0.00 0.00 41.96 37.11 2fki s TYR 82 CO 0.14 -1.99 1.69 -0.48 -1.11 0.00 0.00 175.55 173.80 2fki s LEU 83 N 5.65 3.69 -0.07 -1.29 2.34 -0.22 -4.60 118.68 124.18 2fki s LEU 83 Ca 0.45 -2.11 0.03 0.00 0.06 0.00 0.00 54.13 52.55 2fki s LEU 83 Cb -0.03 -2.58 -0.25 0.00 -0.56 0.00 0.00 46.19 42.77 2fki s LEU 83 CO -0.00 -1.42 0.56 -0.78 -1.06 0.00 0.00 176.35 173.65 2fki h ASP 84 N 8.36 0.22 0.00 1.48 3.58 -1.92 -3.42 116.42 124.72 2fki h ASP 84 Ca 0.36 -0.47 -0.07 0.00 0.42 0.00 0.00 57.03 57.28 2fki h ASP 84 Cb 0.91 -0.07 -0.07 0.00 1.72 0.00 0.00 39.33 41.82 2fki h ASP 84 CO 1.43 1.41 -0.15 0.61 -2.88 0.00 0.00 179.24 179.66 2fki n GLY 85 N 1.75 0.14 0.04 -0.78 0.00 -1.26 -5.05 105.19 100.04 2fki n GLY 85 Ca -0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 2fki n GLY 85 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2fki h SER 86 N 0.11 0.00 -3.75 1.61 4.64 -1.85 -3.48 113.55 110.82 2fki h SER 86 Ca -0.29 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.35 2fki h SER 86 Cb 1.02 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.89 2fki h SER 86 CO -0.14 0.39 -0.73 -0.76 -0.87 0.00 0.00 176.83 174.73 2fki s LEU 87 N -6.53 2.98 0.92 5.97 2.01 -1.26 -5.06 118.68 117.72 2fki s LEU 87 Ca -0.07 -0.11 -0.14 0.00 0.01 0.00 0.00 54.13 53.81 2fki s LEU 87 Cb 0.01 -1.64 0.16 0.00 0.01 0.00 0.00 46.19 44.73 2fki s LEU 87 CO 0.10 0.33 1.24 -2.84 1.01 0.00 0.00 176.35 176.19 2fki s PRO 88 N -0.63 1.01 0.14 1.29 0.02 -1.26 -4.88 135.00 130.70 2fki s PRO 88 Ca 0.09 -0.13 -0.26 0.00 0.02 0.00 0.00 61.00 60.73 2fki s PRO 88 Cb -0.11 -1.86 -0.01 0.00 0.02 0.00 0.00 34.50 32.54 2fki s PRO 88 CO 0.01 -2.21 1.59 -0.44 -0.33 0.00 0.00 177.00 175.63 2fki h ASP 89 N -1.50 -1.17 -0.49 2.53 5.19 -2.00 -1.87 116.42 117.11 2fki h ASP 89 Ca -0.46 0.18 0.04 0.00 -0.62 0.00 0.00 57.03 56.17 2fki h ASP 89 Cb 1.28 0.51 -0.03 0.00 0.18 0.00 0.00 39.33 41.27 2fki h ASP 89 CO 0.50 -0.37 0.33 0.28 -3.12 0.00 0.00 179.24 176.86 2fki h SER 90 N -0.38 0.46 0.26 6.45 0.02 -2.01 -1.25 113.55 117.09 2fki h SER 90 Ca 0.11 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 2fki h SER 90 Cb 0.57 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2fki h SER 90 CO -0.44 0.31 -0.48 -0.61 -1.14 0.00 0.00 176.83 174.47 2fki h GLN 91 N 0.53 0.26 -0.42 3.45 5.75 -1.72 -3.01 115.11 119.96 2fki h GLN 91 Ca 0.20 -0.14 -0.09 0.00 -0.15 0.00 0.00 58.65 58.47 2fki h GLN 91 Cb 0.14 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 2fki h GLN 91 CO -0.05 0.69 -0.08 0.82 -2.65 0.00 0.00 178.83 177.56 2fki h ILE 92 N 0.21 1.27 -0.93 2.39 2.04 -0.87 -1.43 117.51 120.20 2fki h ILE 92 Ca 0.01 -1.17 0.06 0.00 1.00 0.00 0.00 64.86 64.76 2fki h ILE 92 Cb 0.93 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 38.12 2fki h ILE 92 CO 0.08 0.39 0.59 1.88 0.00 0.00 0.00 178.15 181.09 2fki h TYR 93 N 0.61 1.10 -0.55 1.37 0.05 -1.42 0.26 116.97 118.38 2fki h TYR 93 Ca 0.11 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.85 2fki h TYR 93 Cb 0.60 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 2fki h TYR 93 CO 0.05 0.58 0.10 -0.92 -1.05 0.00 0.00 178.16 176.92 2fki h TYR 94 N 1.09 0.96 -0.26 4.88 3.20 -1.36 -1.71 116.97 123.77 2fki h TYR 94 Ca 0.39 -0.13 -0.08 0.00 3.14 0.00 0.00 58.73 62.05 2fki h TYR 94 Cb 0.13 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 2fki h TYR 94 CO -0.02 0.85 -0.15 -0.07 -1.64 0.00 0.00 178.16 177.13 2fki h LEU 95 N 0.80 0.59 -0.50 2.82 3.38 -0.47 -1.14 115.31 120.78 2fki h LEU 95 Ca 0.17 -0.42 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 2fki h LEU 95 Cb 0.40 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2fki h LEU 95 CO 0.01 0.88 -0.00 0.58 0.09 0.00 0.00 178.44 180.00 2fki h VAL 96 N 0.30 1.26 -0.34 1.22 2.07 -0.95 -0.52 116.25 119.29 2fki h VAL 96 Ca 0.06 -1.09 -0.13 0.00 0.82 0.00 0.00 66.70 66.36 2fki h VAL 96 Cb 0.67 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2fki h VAL 96 CO 0.04 0.38 -0.31 0.44 0.02 0.00 0.00 177.57 178.15 2fki h ASP 97 N 0.76 0.75 -0.21 0.57 3.32 -1.31 -1.81 116.42 118.48 2fki h ASP 97 Ca 0.14 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 2fki h ASP 97 Cb 0.52 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2fki h ASP 97 CO 0.03 1.00 0.02 0.00 -1.72 0.00 0.00 179.24 178.56 2fki h ALA 98 N 1.04 0.29 -0.11 3.45 0.00 -0.99 0.22 119.26 123.15 2fki h ALA 98 Ca 0.07 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2fki h ALA 98 Cb 0.82 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2fki h ALA 98 CO 0.07 -0.01 -0.19 0.66 0.00 0.00 0.00 179.25 179.78 2fki h SER 99 N 0.14 0.17 -0.10 0.00 4.64 -1.03 -0.73 113.55 116.65 2fki h SER 99 Ca 0.06 -0.04 -0.15 0.00 -0.47 0.00 0.00 61.79 61.19 2fki h SER 99 Cb 0.36 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.42 2fki h SER 99 CO 0.01 0.38 -0.53 0.22 -0.87 0.00 0.00 176.83 176.03 2fki h TYR 100 N 0.17 0.72 -0.51 4.77 3.20 -1.16 -3.21 116.97 120.94 2fki h TYR 100 Ca 0.03 -0.32 0.01 0.00 3.14 0.00 0.00 58.73 61.59 2fki h TYR 100 Cb 0.44 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 2fki h TYR 100 CO 0.01 1.11 0.33 0.37 -1.64 0.00 0.00 178.16 178.33 2fki h GLN 101 N 0.12 0.66 -0.15 1.82 -0.00 0.00 -1.79 115.11 115.77 2fki h GLN 101 Ca -0.04 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.56 2fki h GLN 101 Cb 1.18 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 28.50 2fki h GLN 101 CO 0.11 0.44 0.03 -0.56 0.00 0.00 0.00 178.83 178.84 2fki h GLN 102 N 0.68 0.21 0.00 1.69 3.07 -1.25 -1.47 115.11 118.03 2fki h GLN 102 Ca 0.19 -0.02 -0.14 0.00 0.09 0.00 0.00 58.65 58.77 2fki h GLN 102 Cb -0.07 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 27.43 2fki h GLN 102 CO -0.05 0.21 -0.66 0.00 0.09 0.00 0.00 178.83 178.42 2fki h ALA 103 N 1.82 0.79 -0.30 0.06 0.00 -1.35 -3.27 119.26 117.01 2fki h ALA 103 Ca 0.05 -0.60 -0.13 0.00 0.00 0.00 0.00 54.91 54.23 2fki h ALA 103 Cb 0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2fki h ALA 103 CO -0.00 0.83 -0.33 0.28 0.00 0.00 0.00 179.25 180.02 2fki h VAL 104 N 0.00 1.30 0.00 0.00 2.07 -0.62 -2.96 116.25 116.04 2fki h VAL 104 Ca -0.01 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.01 2fki h VAL 104 Cb 1.26 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 2fki h VAL 104 CO 0.09 0.49 0.00 -0.55 0.02 0.00 0.00 177.57 177.61 2fki h ASN 105 N 0.51 0.00 0.37 0.57 7.08 -1.61 -2.29 115.58 120.21 2fki h ASN 105 Ca 0.04 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.26 2fki h ASN 105 Cb 0.91 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.15 2fki h ASN 105 CO 0.08 0.00 -0.22 0.18 -2.08 0.00 0.00 177.43 175.39 2fki n LEU 106 N -2.48 0.66 -4.77 6.14 4.77 -1.13 -4.88 117.00 115.32 2fki n LEU 106 Ca 0.03 -0.07 -0.39 0.00 -0.03 0.00 0.00 56.01 55.55 2fki n LEU 106 Cb 0.33 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 2fki n LEU 106 CO 0.26 0.13 0.49 -0.76 -1.33 0.00 0.00 177.39 176.17 2fki s LEU 107 N -2.60 4.58 0.00 2.23 1.43 -0.86 -5.06 118.68 118.39 2fki s LEU 107 Ca 0.23 1.63 -0.21 0.00 -1.03 0.00 0.00 54.13 54.76 2fki s LEU 107 Cb 0.19 -3.30 0.31 0.00 0.03 0.00 0.00 46.19 43.42 2fki s LEU 107 CO 0.53 0.18 0.97 -2.65 0.23 0.00 0.00 176.35 175.61 2fki n PRO 108 N 1.76 -3.61 0.18 1.29 -0.02 -1.26 -4.63 135.00 128.71 2fki n PRO 108 Ca -0.05 -1.57 -0.15 0.00 -2.02 0.00 0.00 63.50 59.71 2fki n PRO 108 Cb 0.49 -1.64 -0.08 0.00 -0.02 0.00 0.00 33.50 32.25 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 -0.71 -0.52 -0.52 4.57 -1.98 -1.22 114.58 114.19 2fki h GLU 109 Ca -0.38 0.05 0.10 0.00 -1.18 0.00 0.00 59.36 57.94 2fki h GLU 109 Cb 1.21 0.16 -0.08 0.00 -0.16 0.00 0.00 28.75 29.89 2fki h GLU 109 CO 0.24 -0.47 0.07 1.49 -1.18 0.00 0.00 179.01 179.16 2fki h GLU 110 N -0.74 0.18 -0.55 1.92 4.81 -2.00 -0.78 114.58 117.43 2fki h GLU 110 Ca -0.01 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2fki h GLU 110 Cb 0.71 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 2fki h GLU 110 CO -0.16 0.12 0.25 0.87 -0.73 0.00 0.00 179.01 179.36 2fki h LYS 111 N 0.19 0.79 0.00 1.92 6.56 -1.83 -1.86 116.57 122.34 2fki h LYS 111 Ca 0.27 -0.13 -0.02 0.00 -1.06 0.00 0.00 60.65 59.71 2fki h LYS 111 Cb 0.38 -0.14 -0.00 0.00 -0.57 0.00 0.00 32.23 31.90 2fki h LYS 111 CO -0.38 0.67 -0.12 0.00 -2.06 0.00 0.00 179.45 177.56 2fki h ARG 112 N 0.74 0.00 0.00 3.15 3.08 -0.29 -2.73 114.38 118.33 2fki h ARG 112 Ca 0.19 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 2fki h ARG 112 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2fki h ARG 112 CO -0.02 0.12 -0.00 0.87 -1.07 0.00 0.00 179.97 179.86 2fki h LYS 113 N 0.00 -0.00 -0.75 0.04 1.79 -0.31 -2.66 116.57 114.68 2fki h LYS 113 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2fki h LYS 113 Cb 0.24 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.85 2fki h LYS 113 CO 0.02 0.06 0.47 -0.07 -1.08 0.00 0.00 179.45 178.85 2fki h LEU 114 N -0.07 0.88 -2.10 2.94 3.38 -1.40 -1.37 115.31 117.56 2fki h LEU 114 Ca -0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2fki h LEU 114 Cb 0.07 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2fki h LEU 114 CO 0.00 0.66 -0.07 -0.07 0.09 0.00 0.00 178.44 179.05 2fki h LEU 115 N 1.01 0.00 0.15 1.67 3.38 -1.37 0.05 115.31 120.21 2fki h LEU 115 Ca 0.27 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.93 2fki h LEU 115 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2fki h LEU 115 CO -0.05 0.07 -1.51 0.58 0.09 0.00 0.00 178.44 177.61 2fki h VAL 116 N 0.00 1.20 -0.49 1.22 2.07 -1.01 -3.34 116.25 115.91 2fki h VAL 116 Ca -0.00 -2.78 -0.02 0.00 0.82 0.00 0.00 66.70 64.71 2fki h VAL 116 Cb 0.15 2.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 2fki h VAL 116 CO 0.01 0.84 0.22 1.56 0.02 0.00 0.00 177.57 180.22 2fki h GLN 117 N 0.09 0.71 -0.01 1.57 1.08 -0.32 -3.52 115.11 114.71 2fki h GLN 117 Ca -0.24 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 56.85 2fki h GLN 117 Cb 2.05 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 29.35 2fki h GLN 117 CO 0.19 0.61 0.00 1.28 -0.95 0.00 0.00 178.83 179.96