#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 0.13 3.17 -4.23 -1.26 -4.70 115.64 114.05 2fki s THR 2 Ca 0.00 0.54 0.29 0.00 -1.18 0.00 0.00 61.69 61.34 2fki s THR 2 Cb 0.00 -3.63 0.31 0.00 1.34 0.00 0.00 72.50 70.52 2fki s THR 2 CO 0.00 0.39 1.91 0.40 -0.54 0.00 0.00 174.62 176.78 2fki h ILE 3 N 4.68 0.29 -0.55 2.99 1.08 -1.99 -2.99 117.51 121.03 2fki h ILE 3 Ca -0.41 -0.81 0.10 0.00 -0.39 0.00 0.00 64.86 63.35 2fki h ILE 3 Cb 1.16 1.63 -0.08 0.00 -3.07 0.00 0.00 36.82 36.46 2fki h ILE 3 CO 0.76 0.11 0.05 0.28 -0.69 0.00 0.00 178.15 178.66 2fki h SER 4 N 0.00 -0.12 0.48 1.72 0.02 -1.99 0.44 113.55 114.09 2fki h SER 4 Ca -0.00 0.12 -0.25 0.00 -0.84 0.00 0.00 61.79 60.82 2fki h SER 4 Cb 0.62 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2fki h SER 4 CO 0.01 -0.04 -1.10 -0.33 -1.14 0.00 0.00 176.83 174.24 2fki h GLU 5 N 0.18 0.34 -0.62 3.45 5.08 -1.96 -3.02 114.58 118.02 2fki h GLU 5 Ca 0.28 -0.46 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2fki h GLU 5 Cb 0.42 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2fki h GLU 5 CO -0.42 1.16 0.37 1.25 -1.00 0.00 0.00 179.01 180.38 2fki h LEU 6 N 0.15 0.75 -0.33 1.33 7.12 -1.30 -0.36 115.31 122.67 2fki h LEU 6 Ca -0.11 -0.06 -0.02 0.00 0.13 0.00 0.00 57.88 57.82 2fki h LEU 6 Cb 1.78 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 41.71 2fki h LEU 6 CO 0.19 0.59 0.15 0.25 -0.13 0.00 0.00 178.44 179.48 2fki h LEU 7 N 0.84 0.45 -1.14 2.25 6.46 -0.19 -1.18 115.31 122.79 2fki h LEU 7 Ca 0.22 -0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 2fki h LEU 7 Cb -0.02 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 39.76 2fki h LEU 7 CO -0.04 0.47 0.32 -0.61 -0.62 0.00 0.00 178.44 177.96 2fki h GLN 8 N 0.40 0.92 -0.20 1.25 4.15 -1.35 -1.28 115.11 119.00 2fki h GLN 8 Ca 0.11 -0.12 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 2fki h GLN 8 Cb 0.15 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 2fki h GLN 8 CO -0.01 0.71 -0.08 -0.92 -1.93 0.00 0.00 178.83 176.59 2fki h TYR 9 N 0.92 0.32 0.00 3.99 3.20 -0.55 -1.38 116.97 123.48 2fki h TYR 9 Ca 0.23 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 2fki h TYR 9 Cb 0.08 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2fki h TYR 9 CO 0.01 0.40 -0.30 0.00 -1.64 0.00 0.00 178.16 176.62 2fki n MET 11 N -3.73 0.00 0.00 0.00 2.81 -0.54 -2.60 117.12 113.06 2fki n MET 11 Ca -0.01 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 56.02 2fki n MET 11 Cb 0.40 -1.50 0.58 0.00 -0.71 0.00 0.00 33.22 31.99 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 -1.50 2.66 -2.60 3.04 0.00 -0.69 -4.75 120.51 116.67 2fki n ALA 12 Ca 0.07 -0.39 -0.41 0.00 0.00 0.00 0.00 53.44 52.71 2fki n ALA 12 Cb 0.34 -1.23 -0.07 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 -2.09 3.89 -0.17 0.00 -0.14 -1.07 -5.01 119.74 115.15 2fki s LYS 13 Ca 0.37 0.29 -0.29 0.00 -1.36 0.00 0.00 55.97 54.98 2fki s LYS 13 Cb 0.21 -3.73 -0.05 0.00 -1.68 0.00 0.00 37.83 32.58 2fki s LYS 13 CO 0.37 -0.57 2.00 -1.25 -0.76 0.00 0.00 175.35 175.14 2fki s PRO 14 N 2.61 3.50 0.00 -1.68 0.04 -1.26 -2.28 135.00 135.93 2fki s PRO 14 Ca 0.25 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2fki s PRO 14 Cb -0.15 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.15 2fki s PRO 14 CO 0.12 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 175.90 2fki n GLY 15 N 5.25 1.24 3.69 0.56 0.00 -1.26 -4.95 105.19 109.72 2fki n GLY 15 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 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 3.54 0.18 4.61 0.00 -0.97 -4.26 121.76 122.86 2fki s ALA 16 Ca 0.00 -0.41 0.09 0.00 0.00 0.00 0.00 51.96 51.64 2fki s ALA 16 Cb 0.00 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 2fki s ALA 16 CO 0.00 -0.18 -0.18 -2.00 0.00 0.00 0.00 175.76 173.40 2fki s GLU 17 N 1.04 1.34 -0.24 0.00 2.56 -0.96 -4.85 118.70 117.58 2fki s GLU 17 Ca 0.21 -1.47 -0.20 0.00 0.00 0.00 0.00 54.97 53.51 2fki s GLU 17 Cb -0.15 -1.39 -0.02 0.00 2.00 0.00 0.00 34.13 34.57 2fki s GLU 17 CO 0.08 0.28 0.61 -0.65 -0.56 0.00 0.00 175.26 175.02 2fki s GLN 18 N -2.95 4.13 -0.37 4.30 -0.21 -1.26 -2.92 119.66 120.38 2fki s GLN 18 Ca 0.18 0.53 -0.04 0.00 0.02 0.00 0.00 55.36 56.06 2fki s GLN 18 Cb -0.05 -3.63 0.08 0.00 1.00 0.00 0.00 33.01 30.41 2fki s GLN 18 CO 0.08 -0.35 0.14 -1.12 -2.12 0.00 0.00 175.29 171.92 2fki s SER 19 N 1.40 5.22 -0.19 5.90 0.01 0.17 -4.97 113.70 121.24 2fki s SER 19 Ca 0.26 -1.64 -0.18 0.00 1.31 0.00 0.00 55.95 55.70 2fki s SER 19 Cb -0.16 -1.82 -0.03 0.00 0.21 0.00 0.00 66.02 64.22 2fki s SER 19 CO 0.09 -0.44 0.50 0.54 0.41 0.00 0.00 173.24 174.34 2fki s VAL 20 N 1.24 5.13 -0.42 3.43 0.11 -1.26 0.32 120.40 128.95 2fki s VAL 20 Ca 0.03 0.93 -0.21 0.00 -2.93 0.00 0.00 61.98 59.80 2fki s VAL 20 Cb -0.22 -3.83 0.02 0.00 -1.53 0.00 0.00 36.38 30.83 2fki s VAL 20 CO -0.02 0.21 0.65 -2.28 -3.33 0.00 0.00 175.10 170.34 2fki s HIS 21 N 1.42 3.08 -1.28 1.54 2.46 0.25 -4.97 115.29 117.78 2fki s HIS 21 Ca 0.24 0.06 -0.19 0.00 0.47 0.00 0.00 55.06 55.64 2fki s HIS 21 Cb -0.15 -3.33 0.03 0.00 -0.13 0.00 0.00 32.58 29.00 2fki s HIS 21 CO 0.10 -0.83 1.82 -1.71 -2.47 0.00 0.00 174.74 171.65 2fki n ASN 22 N 6.26 4.44 0.01 9.88 5.15 -1.26 -2.80 115.26 136.94 2fki n ASN 22 Ca -0.01 -2.87 0.00 0.00 -0.60 0.00 0.00 54.58 51.10 2fki n ASN 22 Cb 0.48 -1.73 0.00 0.00 -0.53 0.00 0.00 39.78 38.00 2fki n ASN 22 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2fki n ASP 23 N 9.38 0.00 -0.19 1.20 8.00 -1.26 -4.88 116.55 128.81 2fki n ASP 23 Ca 0.48 0.04 0.09 0.00 0.71 0.00 0.00 54.79 56.12 2fki n ASP 23 Cb 0.45 0.03 0.16 0.00 -0.02 0.00 0.00 41.12 41.74 2fki n ASP 23 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 2fki n TRP 24 N -2.59 0.08 -3.47 1.24 4.27 -1.26 -4.98 117.44 110.73 2fki n TRP 24 Ca 0.00 -1.05 -0.21 0.00 -3.89 0.00 0.00 57.50 52.35 2fki n TRP 24 Cb 0.00 -0.18 0.07 0.00 -1.36 0.00 0.00 31.31 29.85 2fki n TRP 24 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 2fki n LYS 25 N -1.34 -7.10 -2.05 -2.67 5.02 -1.12 -4.85 118.16 104.05 2fki n LYS 25 Ca 0.17 0.74 -0.42 0.00 -2.02 0.00 0.00 58.31 56.77 2fki n LYS 25 Cb 0.67 -5.52 -0.03 0.00 -0.02 0.00 0.00 35.03 30.13 2fki n LYS 25 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2fki s ALA 26 N -3.29 3.62 -0.31 7.82 0.00 -1.17 -4.79 121.76 123.65 2fki s ALA 26 Ca 0.51 0.93 -0.12 0.00 0.00 0.00 0.00 51.96 53.28 2fki s ALA 26 Cb -0.22 -3.72 -0.03 0.00 0.00 0.00 0.00 23.12 19.14 2fki s ALA 26 CO 0.65 -1.31 0.20 0.99 0.00 0.00 0.00 175.76 176.29 2fki s THR 27 N 3.72 5.19 -0.24 0.00 2.01 0.08 -0.58 115.64 125.82 2fki s THR 27 Ca 0.71 -0.07 -0.16 0.00 0.31 0.00 0.00 61.69 62.48 2fki s THR 27 Cb -0.33 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 2fki s THR 27 CO 0.28 0.12 0.43 -1.10 -0.69 0.00 0.00 174.62 173.67 2fki s GLN 28 N 1.72 4.09 -0.45 4.92 -0.21 0.15 -0.16 119.66 129.72 2fki s GLN 28 Ca 0.06 0.19 -0.17 0.00 0.02 0.00 0.00 55.36 55.47 2fki s GLN 28 Cb -0.17 -3.61 0.04 0.00 1.00 0.00 0.00 33.01 30.27 2fki s GLN 28 CO 0.10 -0.21 0.44 0.42 -2.12 0.00 0.00 175.29 173.92 2fki s ILE 29 N 1.87 5.11 0.23 1.08 1.01 -0.31 -0.66 121.20 129.54 2fki s ILE 29 Ca 0.19 -0.60 -0.15 0.00 0.00 0.00 0.00 60.65 60.08 2fki s ILE 29 Cb -0.15 -4.09 0.01 0.00 0.01 0.00 0.00 42.46 38.23 2fki s ILE 29 CO 0.09 -0.52 0.51 -1.59 0.00 0.00 0.00 174.94 173.44 2fki s LYS 30 N 2.03 1.52 0.00 2.79 -2.85 -1.15 -3.63 119.74 118.46 2fki s LYS 30 Ca 0.09 -1.12 0.00 0.00 -1.00 0.00 0.00 55.97 53.95 2fki s LYS 30 Cb -0.20 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.07 2fki s LYS 30 CO 0.11 -0.64 0.00 1.33 0.10 0.00 0.00 175.35 176.25 2fki n VAL 31 N -0.37 0.00 -0.14 1.79 0.24 -1.02 -2.26 118.33 116.57 2fki n VAL 31 Ca -0.04 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.21 2fki n VAL 31 Cb 0.62 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 33.00 2fki n VAL 31 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2fki h GLU 32 N 0.00 -0.12 0.00 7.34 5.08 -2.00 -3.37 114.58 121.51 2fki h GLU 32 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2fki h GLU 32 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2fki h GLU 32 CO 0.00 -0.08 -0.12 -3.47 -1.00 0.00 0.00 179.01 174.34 2fki n ASP 33 N -5.39 0.00 -4.26 1.42 2.03 -1.26 -5.07 116.55 104.01 2fki n ASP 33 Ca 0.03 -1.24 -0.39 0.00 0.52 0.00 0.00 54.79 53.71 2fki n ASP 33 Cb 0.30 -0.05 -0.11 0.00 -0.72 0.00 0.00 41.12 40.55 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 3.99 -0.25 5.18 1.01 -1.26 -5.06 120.40 124.00 2fki s VAL 34 Ca 0.00 -1.34 -0.16 0.00 0.00 0.00 0.00 61.98 60.49 2fki s VAL 34 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2fki s VAL 34 CO 0.00 -0.39 0.40 -0.22 0.00 0.00 0.00 175.10 174.89 2fki s LEU 35 N 1.40 4.06 -0.09 3.92 2.96 -1.26 -2.43 118.68 127.24 2fki s LEU 35 Ca 0.02 0.38 0.08 0.00 -0.22 0.00 0.00 54.13 54.39 2fki s LEU 35 Cb -0.21 -2.49 -0.12 0.00 0.50 0.00 0.00 46.19 43.87 2fki s LEU 35 CO 0.02 -0.18 0.05 2.22 -1.32 0.00 0.00 176.35 177.13 2fki n PHE 36 N 5.19 0.00 -3.64 5.38 -1.74 -1.25 -4.77 117.46 116.63 2fki n PHE 36 Ca -0.08 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.67 2fki n PHE 36 Cb 0.51 -0.44 -0.08 0.00 1.52 0.00 0.00 39.48 40.99 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 -2.26 -1.47 -0.01 1.98 0.00 -1.24 -0.69 121.76 118.07 2fki s ALA 37 Ca -0.05 1.40 -0.00 0.00 0.00 0.00 0.00 51.96 53.32 2fki s ALA 37 Cb 0.03 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.59 2fki s ALA 37 CO 0.38 -0.30 0.02 0.00 0.00 0.00 0.00 175.76 175.86 2fki s MET 38 N -0.32 -0.00 -0.15 0.00 0.23 0.31 -1.16 119.30 118.21 2fki s MET 38 Ca -0.05 0.09 -0.07 0.00 -1.03 0.00 0.00 55.69 54.63 2fki s MET 38 Cb -0.03 -0.09 -0.04 0.00 -1.53 0.00 0.00 34.83 33.14 2fki s MET 38 CO 0.04 -0.07 0.09 0.54 -2.03 0.00 0.00 175.02 173.59 2fki s VAL 39 N 0.42 5.05 -0.17 5.16 0.11 0.77 0.25 120.40 131.99 2fki s VAL 39 Ca -0.03 0.05 -0.06 0.00 -2.93 0.00 0.00 61.98 59.01 2fki s VAL 39 Cb -0.05 -3.24 0.08 0.00 -1.53 0.00 0.00 36.38 31.64 2fki s VAL 39 CO -0.01 0.53 0.36 -0.54 -3.33 0.00 0.00 175.10 172.10 2fki s LYS 40 N -0.24 0.26 -0.37 1.54 3.01 0.33 -0.74 119.74 123.54 2fki s LYS 40 Ca 0.09 0.92 -0.27 0.00 -1.01 0.00 0.00 55.97 55.70 2fki s LYS 40 Cb -0.12 0.18 0.02 0.00 -1.01 0.00 0.00 37.83 36.90 2fki s LYS 40 CO 0.01 -0.27 0.97 -1.21 0.51 0.00 0.00 175.35 175.35 2fki s GLU 41 N 2.54 3.88 0.02 1.68 8.01 -1.26 -3.02 118.70 130.55 2fki s GLU 41 Ca -0.00 0.67 0.07 0.00 0.01 0.00 0.00 54.97 55.72 2fki s GLU 41 Cb -0.12 -3.80 -0.03 0.00 -4.31 0.00 0.00 34.13 25.87 2fki s GLU 41 CO -0.11 -0.96 -0.21 0.54 0.01 0.00 0.00 175.26 174.52 2fki s VAL 42 N 3.57 2.54 -0.85 2.63 0.11 -0.55 -4.41 120.40 123.44 2fki s VAL 42 Ca 0.40 -1.17 0.00 0.00 -2.93 0.00 0.00 61.98 58.28 2fki s VAL 42 Cb -0.12 -2.01 0.00 0.00 -1.53 0.00 0.00 36.38 32.72 2fki s VAL 42 CO 0.19 0.42 0.00 -0.62 -3.33 0.00 0.00 175.10 171.76 2fki n GLU 43 N 1.85 -1.17 -1.06 1.54 1.02 -1.26 -0.55 120.64 121.02 2fki n GLU 43 Ca -0.16 0.71 -0.02 0.00 -0.02 0.00 0.00 57.16 57.67 2fki n GLU 43 Cb 0.52 -4.79 -0.01 0.00 -0.02 0.00 0.00 31.44 27.15 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 -0.49 -4.82 -4.60 1.62 5.15 -1.26 -5.00 115.26 105.86 2fki n ASN 44 Ca -0.08 0.05 -0.34 0.00 -0.60 0.00 0.00 54.58 53.61 2fki n ASN 44 Cb 0.42 -2.49 -0.10 0.00 -0.53 0.00 0.00 39.78 37.07 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 -1.52 3.51 0.26 1.20 0.52 0.29 -5.04 118.95 118.18 2fki s ARG 45 Ca 0.00 -0.43 -0.31 0.00 -0.52 0.00 0.00 55.73 54.47 2fki s ARG 45 Cb 0.00 -2.95 -0.13 0.00 0.52 0.00 0.00 34.95 32.39 2fki s ARG 45 CO 0.00 0.42 1.51 -2.30 0.02 0.00 0.00 175.30 174.95 2fki n PRO 46 N 3.03 2.37 -3.68 3.54 -0.02 -1.26 -1.48 135.00 137.50 2fki n PRO 46 Ca -0.18 0.84 -0.09 0.00 -2.02 0.00 0.00 63.50 62.05 2fki n PRO 46 Cb 0.53 -2.57 -0.10 0.00 -0.02 0.00 0.00 33.50 31.34 2fki n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fki s ALA 47 N 0.06 -1.20 -0.07 3.55 0.00 -1.17 -0.52 121.76 122.41 2fki s ALA 47 Ca 0.67 1.66 0.03 0.00 0.00 0.00 0.00 51.96 54.32 2fki s ALA 47 Cb -0.58 -1.10 -0.02 0.00 0.00 0.00 0.00 23.12 21.42 2fki s ALA 47 CO 0.48 -0.40 -0.15 0.54 0.00 0.00 0.00 175.76 176.22 2fki s VAL 48 N 1.74 2.92 -0.27 0.00 0.11 -0.42 -0.51 120.40 123.97 2fki s VAL 48 Ca -0.08 -0.76 -0.05 0.00 -2.93 0.00 0.00 61.98 58.17 2fki s VAL 48 Cb -0.09 -2.16 0.01 0.00 -1.53 0.00 0.00 36.38 32.62 2fki s VAL 48 CO -0.14 0.57 0.01 -0.55 -3.33 0.00 0.00 175.10 171.67 2fki s SER 49 N -0.38 4.73 0.19 3.54 0.15 0.14 0.09 113.70 122.16 2fki s SER 49 Ca 0.04 -0.70 0.02 0.00 0.70 0.00 0.00 55.95 56.00 2fki s SER 49 Cb -0.12 -1.79 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 2fki s SER 49 CO 0.02 -0.14 0.33 -0.76 1.20 0.00 0.00 173.24 173.90 2fki s LEU 50 N 1.44 4.30 0.80 3.45 1.02 0.12 -0.53 118.68 129.27 2fki s LEU 50 Ca 0.02 0.22 -0.12 0.00 0.02 0.00 0.00 54.13 54.27 2fki s LEU 50 Cb -0.17 -2.98 0.07 0.00 0.02 0.00 0.00 46.19 43.13 2fki s LEU 50 CO -0.01 -0.01 1.14 -0.75 0.02 0.00 0.00 176.35 176.74 2fki s LYS 51 N -3.43 2.09 -0.45 1.70 2.20 0.13 -0.18 119.74 121.79 2fki s LYS 51 Ca 0.36 0.31 -0.42 0.00 -0.36 0.00 0.00 55.97 55.86 2fki s LYS 51 Cb -0.11 -1.95 -0.17 0.00 -1.51 0.00 0.00 37.83 34.10 2fki s LYS 51 CO 0.29 -1.55 2.07 2.41 -0.36 0.00 0.00 175.35 178.21 2fki n THR 52 N -3.33 0.06 -4.61 3.43 -1.04 -1.07 -4.68 114.28 103.05 2fki n THR 52 Ca 0.07 -0.06 -0.22 0.00 -2.04 0.00 0.00 64.05 61.80 2fki n THR 52 Cb 0.59 -0.81 -0.15 0.00 -1.82 0.00 0.00 70.33 68.14 2fki n THR 52 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2fki s SER 53 N 5.80 1.58 0.07 8.00 0.15 -1.26 -5.07 113.70 122.97 2fki s SER 53 Ca 1.15 -0.25 -0.21 0.00 0.70 0.00 0.00 55.95 57.34 2fki s SER 53 Cb -1.33 -0.23 -0.09 0.00 -1.71 0.00 0.00 66.02 62.67 2fki s SER 53 CO 0.64 0.15 1.34 -0.65 1.20 0.00 0.00 173.24 175.92 2fki h PRO 54 N 5.92 -0.41 -0.31 5.44 0.11 -1.99 0.13 132.00 140.89 2fki h PRO 54 Ca -0.34 0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.74 2fki h PRO 54 Cb 1.17 0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 2fki h PRO 54 CO 0.49 -0.27 -0.07 0.93 -0.21 0.00 0.00 178.00 178.87 2fki h GLU 55 N -0.43 0.49 -0.54 1.05 3.07 -1.97 0.14 114.58 116.39 2fki h GLU 55 Ca 0.00 -0.12 -0.08 0.00 -0.50 0.00 0.00 59.36 58.66 2fki h GLU 55 Cb 0.45 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 2fki h GLU 55 CO -0.21 0.57 0.04 -0.07 -1.40 0.00 0.00 179.01 177.95 2fki h LEU 56 N 0.47 0.91 -0.52 1.33 -0.00 -1.92 0.58 115.31 116.15 2fki h LEU 56 Ca 0.09 -0.29 -0.16 0.00 -0.00 0.00 0.00 57.88 57.52 2fki h LEU 56 Cb 0.41 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.82 2fki h LEU 56 CO 0.02 0.97 -0.63 0.00 -0.00 0.00 0.00 178.44 178.79 2fki h ALA 57 N 0.97 0.71 -0.81 1.53 0.00 -0.53 -3.11 119.26 118.03 2fki h ALA 57 Ca 0.16 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2fki h ALA 57 Cb 0.48 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2fki h ALA 57 CO 0.02 0.73 0.47 0.93 0.00 0.00 0.00 179.25 181.40 2fki h GLU 58 N 0.28 1.11 -0.94 0.00 4.39 -0.36 -2.08 114.58 116.99 2fki h GLU 58 Ca -0.01 -0.11 0.17 0.00 0.34 0.00 0.00 59.36 59.75 2fki h GLU 58 Cb 1.17 -0.23 -0.08 0.00 -0.10 0.00 0.00 28.75 29.52 2fki h GLU 58 CO 0.11 0.80 0.60 1.25 -1.16 0.00 0.00 179.01 180.60 2fki h LEU 59 N 1.12 0.65 -0.65 1.33 5.85 -0.82 0.67 115.31 123.46 2fki h LEU 59 Ca 0.29 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.92 2fki h LEU 59 Cb -0.02 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2fki h LEU 59 CO -0.05 0.29 -0.55 0.25 -0.34 0.00 0.00 178.44 178.04 2fki h LEU 60 N 0.67 0.40 -0.00 2.25 5.85 -1.40 -0.12 115.31 122.95 2fki h LEU 60 Ca 0.50 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 2fki h LEU 60 Cb 0.87 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.79 2fki h LEU 60 CO -0.25 0.87 -0.04 0.03 -0.34 0.00 0.00 178.44 178.70 2fki h ARG 61 N 0.28 0.03 0.03 1.25 -0.00 -0.95 -3.39 114.38 111.62 2fki h ARG 61 Ca 0.00 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.98 59.45 2fki h ARG 61 Cb 1.05 0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.03 2fki h ARG 61 CO 0.09 0.80 -0.01 1.96 0.00 0.00 0.00 179.97 182.81 2fki h GLN 62 N -0.73 -0.04 -6.26 0.04 7.50 -0.98 -3.46 115.11 111.19 2fki h GLN 62 Ca -0.01 0.00 -0.59 0.00 0.50 0.00 0.00 58.65 58.56 2fki h GLN 62 Cb 0.82 0.01 -0.09 0.00 0.05 0.00 0.00 27.48 28.27 2fki h GLN 62 CO 0.01 0.67 -0.61 -0.65 -1.50 0.00 0.00 178.83 176.75 2fki s GLN 63 N -2.81 2.68 0.05 1.46 -0.21 -0.06 -5.09 119.66 115.68 2fki s GLN 63 Ca -0.16 -0.97 -0.01 0.00 0.02 0.00 0.00 55.36 54.25 2fki s GLN 63 Cb -0.01 -2.52 -0.04 0.00 1.00 0.00 0.00 33.01 31.44 2fki s GLN 63 CO 0.59 0.47 -0.03 -1.01 -2.12 0.00 0.00 175.29 173.19 2fki s HIS 64 N -1.72 0.51 0.00 0.91 3.76 -1.26 -4.16 115.29 113.33 2fki s HIS 64 Ca 0.29 -0.98 0.00 0.00 -0.15 0.00 0.00 55.06 54.23 2fki s HIS 64 Cb -0.10 -0.37 0.00 0.00 1.11 0.00 0.00 32.58 33.22 2fki s HIS 64 CO 0.21 -0.33 0.00 0.43 -0.85 0.00 0.00 174.74 174.20 2fki n SER 65 N 0.32 -3.59 0.00 1.40 7.64 -1.26 -4.84 113.62 113.30 2fki n SER 65 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 2fki n SER 65 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 -2.53 0.00 0.09 6.43 2.03 -1.26 -2.97 116.55 118.34 2fki n ASP 66 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 2fki n ASP 66 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 2fki n ASP 66 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2fki h VAL 67 N 0.00 1.51 -4.92 5.18 3.04 -1.93 -3.49 116.25 115.64 2fki h VAL 67 Ca 0.00 -2.63 0.00 0.00 -1.01 0.00 0.00 66.70 63.06 2fki h VAL 67 Cb 0.00 2.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 2fki h VAL 67 CO 0.00 0.76 -0.83 -1.14 -1.01 0.00 0.00 177.57 175.35 2fki n ARG 68 N -3.65 -3.00 -2.12 4.17 0.63 -1.16 -4.32 116.66 107.21 2fki n ARG 68 Ca -0.03 2.48 -0.42 0.00 -0.92 0.00 0.00 57.85 58.96 2fki n ARG 68 Cb 0.79 -4.97 -0.03 0.00 0.45 0.00 0.00 32.46 28.71 2fki n ARG 68 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2fki s PRO 69 N -1.59 3.20 0.40 -0.14 0.02 -1.26 -4.77 135.00 130.85 2fki s PRO 69 Ca 0.03 1.01 0.08 0.00 0.02 0.00 0.00 61.00 62.14 2fki s PRO 69 Cb -0.01 -4.20 -0.06 0.00 0.02 0.00 0.00 34.50 30.24 2fki s PRO 69 CO 0.70 -2.03 0.07 -1.54 -0.33 0.00 0.00 177.00 173.86 2fki s SER 70 N 6.00 4.12 -1.07 2.53 1.04 -1.26 -5.02 113.70 120.04 2fki s SER 70 Ca 0.70 -1.19 -0.05 0.00 0.48 0.00 0.00 55.95 55.89 2fki s SER 70 Cb -0.17 -0.45 0.30 0.00 0.10 0.00 0.00 66.02 65.80 2fki s SER 70 CO 0.29 -0.44 1.35 -1.14 0.98 0.00 0.00 173.24 174.28 2fki n ARG 71 N -1.06 4.13 -0.04 4.02 0.63 -1.26 -4.39 116.66 118.69 2fki n ARG 71 Ca -0.03 -4.54 -0.05 0.00 -0.92 0.00 0.00 57.85 52.31 2fki n ARG 71 Cb 0.65 -2.51 -0.14 0.00 0.45 0.00 0.00 32.46 30.92 2fki n ARG 71 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2fki n HIS 72 N 1.67 0.51 0.02 -0.14 8.25 -1.26 -4.80 115.22 119.47 2fki n HIS 72 Ca 0.26 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.89 2fki n HIS 72 Cb 0.35 -1.03 0.00 0.00 1.12 0.00 0.00 29.99 30.43 2fki n HIS 72 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2fki n LEU 73 N -2.82 0.41 -3.50 2.41 4.77 -1.26 -5.10 117.00 111.91 2fki n LEU 73 Ca -0.20 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2fki n LEU 73 Cb 1.00 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.93 2fki n LEU 73 CO 0.44 -0.61 0.47 0.21 -1.33 0.00 0.00 177.39 176.58 2fki s ASN 74 N -5.33 -0.80 0.10 -1.43 3.84 -1.26 -5.06 114.94 105.00 2fki s ASN 74 Ca 0.00 1.10 0.14 0.00 0.21 0.00 0.00 52.86 54.31 2fki s ASN 74 Cb 0.00 1.90 -0.11 0.00 -0.55 0.00 0.00 41.25 42.48 2fki s ASN 74 CO 0.00 -0.15 1.01 0.50 -2.79 0.00 0.00 177.10 175.67 2fki h LYS 75 N 7.66 0.00 0.00 0.43 3.64 -1.77 -2.43 116.57 124.11 2fki h LYS 75 Ca -0.17 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.85 2fki h LYS 75 Cb 1.11 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.86 2fki h LYS 75 CO 0.09 0.47 -2.32 0.00 -2.27 0.00 0.00 179.45 175.42 2fki n ALA 76 N -2.37 1.49 0.04 5.00 0.00 -1.26 -4.38 120.51 119.03 2fki n ALA 76 Ca -0.07 -1.27 0.08 0.00 0.00 0.00 0.00 53.44 52.18 2fki n ALA 76 Cb 0.86 -0.25 -0.08 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.81 0.64 -4.37 0.00 8.25 -1.26 -4.87 115.22 110.81 2fki n HIS 77 Ca -0.32 0.20 -0.18 0.00 -0.26 0.00 0.00 57.72 57.15 2fki n HIS 77 Cb 1.14 -0.86 -0.10 0.00 1.12 0.00 0.00 29.99 31.29 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 -3.26 1.70 -0.05 4.41 0.52 -0.91 -2.58 118.94 118.77 2fki s TRP 78 Ca -0.04 -1.02 -0.00 0.00 0.02 0.00 0.00 56.10 55.06 2fki s TRP 78 Cb 0.10 -1.04 0.03 0.00 -1.15 0.00 0.00 33.47 31.41 2fki s TRP 78 CO 0.83 -0.13 0.00 -1.12 0.02 0.00 0.00 176.95 176.56 2fki s SER 79 N -3.37 0.93 -0.31 2.95 0.01 0.75 -4.14 113.70 110.51 2fki s SER 79 Ca 0.35 -0.05 -0.08 0.00 1.31 0.00 0.00 55.95 57.48 2fki s SER 79 Cb 0.08 -0.31 0.01 0.00 0.21 0.00 0.00 66.02 66.00 2fki s SER 79 CO 0.13 -0.14 0.12 -0.89 0.41 0.00 0.00 173.24 172.87 2fki s THR 80 N 1.42 4.26 -0.35 1.44 2.01 -1.26 0.13 115.64 123.29 2fki s THR 80 Ca -0.04 -0.62 -0.14 0.00 0.31 0.00 0.00 61.69 61.20 2fki s THR 80 Cb -0.13 -3.21 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 2fki s THR 80 CO -0.03 0.04 0.32 -0.69 -0.69 0.00 0.00 174.62 173.58 2fki s VAL 81 N 1.54 5.21 -0.65 3.82 1.01 0.11 -4.46 120.40 126.98 2fki s VAL 81 Ca 0.03 -0.07 -0.27 0.00 0.00 0.00 0.00 61.98 61.68 2fki s VAL 81 Cb -0.17 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 2fki s VAL 81 CO 0.04 -0.08 1.74 -0.31 0.00 0.00 0.00 175.10 176.49 2fki s TYR 82 N 1.92 1.80 0.15 5.22 1.51 -1.26 -1.30 117.35 125.38 2fki s TYR 82 Ca 0.10 0.59 -0.10 0.00 -1.01 0.00 0.00 57.07 56.65 2fki s TYR 82 Cb -0.17 -4.21 -0.02 0.00 -0.11 0.00 0.00 41.96 37.46 2fki s TYR 82 CO 0.11 -2.24 1.51 -0.07 -1.11 0.00 0.00 175.55 173.75 2fki h LEU 83 N 15.74 1.02 0.00 -1.29 3.38 -1.16 -3.46 115.31 129.55 2fki h LEU 83 Ca -0.25 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.29 2fki h LEU 83 Cb 1.13 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2fki h LEU 83 CO 1.23 1.24 0.00 -0.67 0.09 0.00 0.00 178.44 180.33 2fki n ASP 84 N -4.08 0.00 0.00 -0.43 2.03 0.25 -3.21 116.55 111.11 2fki n ASP 84 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2fki n ASP 84 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 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 0.00 2.48 0.18 0.27 0.00 -1.26 -4.18 105.19 102.67 2fki n GLY 85 Ca 0.00 -0.35 0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.66 -4.74 1.61 2.88 -1.25 -0.61 113.62 112.18 2fki n SER 86 Ca 0.00 -0.82 -0.41 0.00 -1.33 0.00 0.00 58.87 56.31 2fki n SER 86 Cb 0.00 -0.02 -0.05 0.00 -0.75 0.00 0.00 64.21 63.39 2fki n SER 86 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2fki s LEU 87 N -2.34 4.55 0.39 2.46 2.01 -1.20 -4.86 118.68 119.69 2fki s LEU 87 Ca 0.32 1.86 -0.27 0.00 0.01 0.00 0.00 54.13 56.05 2fki s LEU 87 Cb 0.20 -3.60 -0.09 0.00 0.01 0.00 0.00 46.19 42.72 2fki s LEU 87 CO 0.45 0.01 1.29 -2.16 1.01 0.00 0.00 176.35 176.94 2fki s PRO 88 N -0.43 4.07 0.41 1.29 0.04 -1.26 -3.16 135.00 135.96 2fki s PRO 88 Ca 0.45 2.13 0.13 0.00 0.04 0.00 0.00 61.00 63.75 2fki s PRO 88 Cb -0.24 -2.82 0.87 0.00 0.04 0.00 0.00 34.50 32.34 2fki s PRO 88 CO 0.31 -0.40 1.92 0.38 0.04 0.00 0.00 177.00 179.25 2fki h ASP 89 N 2.84 0.02 -0.54 6.66 2.03 -1.96 -3.09 116.42 122.39 2fki h ASP 89 Ca -0.49 -0.00 0.11 0.00 -0.73 0.00 0.00 57.03 55.91 2fki h ASP 89 Cb 1.24 -0.01 -0.09 0.00 -0.83 0.00 0.00 39.33 39.65 2fki h ASP 89 CO 0.63 0.27 0.01 0.28 -1.03 0.00 0.00 179.24 179.40 2fki h SER 90 N 0.02 -0.22 -0.16 4.15 0.02 -2.01 -1.43 113.55 113.91 2fki h SER 90 Ca 0.00 0.13 -0.21 0.00 -0.84 0.00 0.00 61.79 60.86 2fki h SER 90 Cb 0.46 0.22 0.01 0.00 0.14 0.00 0.00 62.40 63.23 2fki h SER 90 CO 0.03 -0.08 -0.73 -0.61 -1.14 0.00 0.00 176.83 174.30 2fki h GLN 91 N 0.12 0.78 -0.45 3.45 4.15 -1.94 -3.30 115.11 117.93 2fki h GLN 91 Ca 0.27 -0.63 -0.01 0.00 0.77 0.00 0.00 58.65 59.06 2fki h GLN 91 Cb 0.42 0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 2fki h GLN 91 CO -0.45 1.24 0.24 0.82 -1.93 0.00 0.00 178.83 178.75 2fki h ILE 92 N 0.51 1.16 -0.90 2.39 2.04 -1.34 -2.04 117.51 119.34 2fki h ILE 92 Ca -0.05 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.44 2fki h ILE 92 Cb 1.37 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 38.01 2fki h ILE 92 CO 0.15 0.17 0.58 1.88 0.00 0.00 0.00 178.15 180.93 2fki h TYR 93 N 0.58 1.08 -0.50 1.37 0.05 -1.39 -1.82 116.97 116.34 2fki h TYR 93 Ca 0.16 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.88 2fki h TYR 93 Cb 0.05 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 37.42 2fki h TYR 93 CO -0.02 0.61 -0.05 -0.92 -1.05 0.00 0.00 178.16 176.73 2fki h TYR 94 N 1.11 0.94 -0.62 4.88 3.20 -1.53 -2.76 116.97 122.18 2fki h TYR 94 Ca 0.36 -0.16 -0.08 0.00 3.14 0.00 0.00 58.73 62.00 2fki h TYR 94 Cb 0.03 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 2fki h TYR 94 CO -0.02 0.88 0.08 -0.07 -1.64 0.00 0.00 178.16 177.39 2fki h LEU 95 N 0.79 1.00 0.24 2.82 3.38 -0.67 -1.09 115.31 121.78 2fki h LEU 95 Ca 0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2fki h LEU 95 Cb 0.54 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2fki h LEU 95 CO 0.03 1.01 -0.11 0.58 0.09 0.00 0.00 178.44 180.04 2fki h VAL 96 N 0.97 0.78 0.00 1.22 2.07 -1.09 -2.29 116.25 117.91 2fki h VAL 96 Ca 0.19 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.57 2fki h VAL 96 Cb 0.45 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2fki h VAL 96 CO 0.02 0.02 -0.30 0.44 0.02 0.00 0.00 177.57 177.76 2fki h ASP 97 N -0.35 0.00 0.03 0.57 3.32 -1.44 -0.27 116.42 118.28 2fki h ASP 97 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2fki h ASP 97 Cb 0.27 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 2fki h ASP 97 CO 0.05 0.30 -0.04 0.00 -1.72 0.00 0.00 179.24 177.84 2fki h ALA 98 N 1.70 -0.06 -0.12 3.45 0.00 -0.84 0.30 119.26 123.68 2fki h ALA 98 Ca -0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2fki h ALA 98 Cb 0.57 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2fki h ALA 98 CO 0.04 -0.54 -0.58 0.66 0.00 0.00 0.00 179.25 178.83 2fki h SER 99 N -0.08 0.44 -0.52 0.00 4.64 -1.17 -2.91 113.55 113.95 2fki h SER 99 Ca 0.01 -0.24 -0.04 0.00 -0.47 0.00 0.00 61.79 61.04 2fki h SER 99 Cb 0.08 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 2fki h SER 99 CO -0.02 0.92 0.18 0.22 -0.87 0.00 0.00 176.83 177.26 2fki h TYR 100 N 0.30 0.83 -0.57 4.77 3.20 -0.75 -1.92 116.97 122.82 2fki h TYR 100 Ca -0.00 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 61.82 2fki h TYR 100 Cb 1.10 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 39.09 2fki h TYR 100 CO 0.03 0.70 0.35 0.37 -1.64 0.00 0.00 178.16 177.98 2fki h GLN 101 N 0.71 0.67 -0.60 1.82 -0.00 -0.38 -2.44 115.11 114.90 2fki h GLN 101 Ca 0.17 -0.04 0.03 0.00 -0.00 0.00 0.00 58.65 58.81 2fki h GLN 101 Cb 0.25 -0.15 -0.04 0.00 0.00 0.00 0.00 27.48 27.54 2fki h GLN 101 CO -0.01 0.45 0.36 1.96 0.00 0.00 0.00 178.83 181.59 2fki h GLN 102 N 0.69 0.68 -0.60 1.69 4.20 -1.28 -2.27 115.11 118.23 2fki h GLN 102 Ca 0.23 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.95 2fki h GLN 102 Cb 0.02 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 27.59 2fki h GLN 102 CO -0.10 0.45 0.33 0.00 -0.67 0.00 0.00 178.83 178.85 2fki h ALA 103 N 1.27 0.79 -0.72 3.87 0.00 -0.89 -0.59 119.26 123.00 2fki h ALA 103 Ca 0.25 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2fki h ALA 103 Cb 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2fki h ALA 103 CO -0.11 0.01 0.30 0.28 0.00 0.00 0.00 179.25 179.73 2fki h VAL 104 N 0.63 1.24 0.00 0.00 2.07 -1.12 -2.06 116.25 117.01 2fki h VAL 104 Ca 0.27 -0.74 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 2fki h VAL 104 Cb 0.14 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2fki h VAL 104 CO -0.16 0.30 -0.42 0.78 0.02 0.00 0.00 177.57 178.09 2fki h ASN 105 N 1.04 0.00 0.40 0.57 2.35 -0.75 -2.68 115.58 116.51 2fki h ASN 105 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2fki h ASN 105 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2fki h ASN 105 CO -0.02 0.42 -0.12 0.18 -1.65 0.00 0.00 177.43 176.24 2fki n LEU 106 N -3.97 0.44 -4.78 1.61 4.77 -0.32 -4.83 117.00 109.92 2fki n LEU 106 Ca -0.02 0.04 -0.39 0.00 -0.03 0.00 0.00 56.01 55.61 2fki n LEU 106 Cb 0.46 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 2fki n LEU 106 CO 0.39 0.08 0.38 -0.76 -1.33 0.00 0.00 177.39 176.15 2fki s LEU 107 N -2.52 4.51 1.26 2.23 1.43 -0.97 -5.07 118.68 119.56 2fki s LEU 107 Ca 0.27 1.40 -0.18 0.00 -1.03 0.00 0.00 54.13 54.59 2fki s LEU 107 Cb 0.20 -3.09 0.31 0.00 0.03 0.00 0.00 46.19 43.64 2fki s LEU 107 CO 0.49 0.17 1.01 -2.84 0.23 0.00 0.00 176.35 175.40 2fki s PRO 108 N -0.72 -1.70 0.13 1.29 0.02 -1.26 -4.63 135.00 128.13 2fki s PRO 108 Ca 0.33 0.32 -0.22 0.00 0.02 0.00 0.00 61.00 61.45 2fki s PRO 108 Cb -0.21 -1.51 -0.02 0.00 0.02 0.00 0.00 34.50 32.79 2fki s PRO 108 CO 0.22 -4.11 1.67 1.49 -0.33 0.00 0.00 177.00 175.94 2fki h GLU 109 N -2.88 -0.15 -0.58 5.54 4.57 -1.98 -1.40 114.58 117.70 2fki h GLU 109 Ca -0.51 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 57.80 2fki h GLU 109 Cb 1.33 0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 29.85 2fki h GLU 109 CO 0.39 -0.10 -0.10 1.49 -1.18 0.00 0.00 179.01 179.51 2fki h GLU 110 N -0.15 0.03 -0.12 1.92 4.81 -2.00 -1.31 114.58 117.76 2fki h GLU 110 Ca 0.10 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2fki h GLU 110 Cb 0.29 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 2fki h GLU 110 CO -0.24 0.02 -0.10 0.87 -0.73 0.00 0.00 179.01 178.84 2fki h LYS 111 N 0.03 0.28 -0.87 1.92 6.56 -1.75 -3.17 116.57 119.57 2fki h LYS 111 Ca 0.29 -0.14 0.01 0.00 -1.06 0.00 0.00 60.65 59.75 2fki h LYS 111 Cb 0.45 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.07 2fki h LYS 111 CO -0.57 0.66 0.57 0.00 -2.06 0.00 0.00 179.45 178.06 2fki h ARG 112 N -0.10 1.13 -0.62 3.15 3.08 -0.94 -2.26 114.38 117.81 2fki h ARG 112 Ca 0.02 -0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.09 2fki h ARG 112 Cb 0.60 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 2fki h ARG 112 CO 0.03 0.75 0.42 0.87 -1.07 0.00 0.00 179.97 180.96 2fki h LYS 113 N 1.16 0.48 -0.08 0.04 1.79 -1.22 -2.12 116.57 116.62 2fki h LYS 113 Ca 0.32 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.73 2fki h LYS 113 Cb -0.11 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.43 2fki h LYS 113 CO -0.08 0.32 -0.11 -0.07 -1.08 0.00 0.00 179.45 178.43 2fki h LEU 114 N 0.49 0.24 -1.63 2.94 3.38 -1.42 -3.23 115.31 116.08 2fki h LEU 114 Ca 0.28 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 2fki h LEU 114 Cb 0.47 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2fki h LEU 114 CO -0.09 0.70 -0.20 -0.07 0.09 0.00 0.00 178.44 178.88 2fki h LEU 115 N -0.23 0.00 -1.48 1.67 3.38 -1.24 -1.87 115.31 115.55 2fki h LEU 115 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2fki h LEU 115 Cb 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2fki h LEU 115 CO 0.03 0.20 -0.26 0.58 0.09 0.00 0.00 178.44 179.07 2fki h VAL 116 N 0.00 1.04 0.00 1.22 2.07 -1.42 -2.61 116.25 116.56 2fki h VAL 116 Ca -0.00 -0.95 -0.14 0.00 0.82 0.00 0.00 66.70 66.43 2fki h VAL 116 Cb 0.45 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2fki h VAL 116 CO 0.03 0.26 -0.68 1.56 0.02 0.00 0.00 177.57 178.75 2fki h GLN 117 N 0.00 0.00 -0.00 1.57 1.08 -1.40 -3.52 115.11 112.84 2fki h GLN 117 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2fki h GLN 117 Cb 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 2fki h GLN 117 CO 0.03 0.68 0.00 1.28 -0.95 0.00 0.00 178.83 179.88