#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 3.44 0.36 3.17 2.01 -1.26 -4.94 115.64 118.43 2fki s THR 2 Ca 0.00 0.99 0.05 0.00 0.31 0.00 0.00 61.69 63.04 2fki s THR 2 Cb 0.00 -3.46 0.21 0.00 0.01 0.00 0.00 72.50 69.26 2fki s THR 2 CO 0.00 -0.10 1.95 0.40 -0.69 0.00 0.00 174.62 176.18 2fki h ILE 3 N 1.71 1.16 0.13 1.82 1.08 -2.00 -2.96 117.51 118.45 2fki h ILE 3 Ca -0.49 -0.53 -0.01 0.00 -0.39 0.00 0.00 64.86 63.44 2fki h ILE 3 Cb 1.24 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.71 2fki h ILE 3 CO 0.60 0.20 -0.07 0.77 -0.69 0.00 0.00 178.15 178.96 2fki h SER 4 N 0.55 -0.17 -0.24 1.72 4.64 -1.99 0.22 113.55 118.28 2fki h SER 4 Ca 0.13 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.40 2fki h SER 4 Cb 0.15 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 2fki h SER 4 CO -0.01 -0.12 -0.03 -0.33 -0.87 0.00 0.00 176.83 175.48 2fki h GLU 5 N -0.19 0.58 -0.29 4.77 3.07 -1.94 -1.19 114.58 119.38 2fki h GLU 5 Ca -0.02 -0.14 -0.03 0.00 -0.50 0.00 0.00 59.36 58.67 2fki h GLU 5 Cb 0.15 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 2fki h GLU 5 CO 0.02 0.62 0.04 1.25 -1.40 0.00 0.00 179.01 179.55 2fki h LEU 6 N 0.54 0.46 -1.24 1.33 7.12 -1.28 -1.21 115.31 121.03 2fki h LEU 6 Ca 0.11 -0.26 -0.02 0.00 0.13 0.00 0.00 57.88 57.84 2fki h LEU 6 Cb 0.39 -0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 40.37 2fki h LEU 6 CO 0.02 0.61 0.30 -0.07 -0.13 0.00 0.00 178.44 179.16 2fki h LEU 7 N 0.29 0.73 -0.44 2.25 3.38 -0.19 -1.83 115.31 119.50 2fki h LEU 7 Ca 0.09 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2fki h LEU 7 Cb 0.35 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2fki h LEU 7 CO 0.01 0.61 0.11 -0.61 0.09 0.00 0.00 178.44 178.65 2fki h GLN 8 N 0.82 0.71 -0.25 1.13 4.15 -0.96 -2.87 115.11 117.84 2fki h GLN 8 Ca 0.21 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 2fki h GLN 8 Cb 0.06 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 2fki h GLN 8 CO -0.03 0.71 0.12 -0.92 -1.93 0.00 0.00 178.83 176.78 2fki h TYR 9 N 0.58 0.32 -0.33 3.99 3.20 -0.50 -2.59 116.97 121.64 2fki h TYR 9 Ca 0.14 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.02 2fki h TYR 9 Cb 0.32 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 2fki h TYR 9 CO 0.02 0.24 0.21 0.00 -1.64 0.00 0.00 178.16 176.99 2fki n MET 11 N -4.88 1.37 0.25 0.00 2.81 -1.01 -3.06 117.12 112.60 2fki n MET 11 Ca -0.01 -0.54 0.14 0.00 -1.81 0.00 0.00 57.70 55.49 2fki n MET 11 Cb 0.04 -1.47 0.52 0.00 -0.71 0.00 0.00 33.22 31.60 2fki n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2fki h ALA 12 N 4.14 1.00 -2.44 3.04 0.00 -1.05 -3.42 119.26 120.52 2fki h ALA 12 Ca 0.00 -0.06 -0.59 0.00 0.00 0.00 0.00 54.91 54.26 2fki h ALA 12 Cb 0.27 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 2fki h ALA 12 CO 0.00 0.08 0.28 0.15 0.00 0.00 0.00 179.25 179.75 2fki s LYS 13 N -3.56 4.21 0.07 0.00 -0.14 -1.17 -5.00 119.74 114.14 2fki s LYS 13 Ca 0.02 0.79 -0.35 0.00 -1.36 0.00 0.00 55.97 55.07 2fki s LYS 13 Cb 0.08 -3.60 -0.14 0.00 -1.68 0.00 0.00 37.83 32.49 2fki s LYS 13 CO 0.59 -0.35 1.59 -2.30 -0.76 0.00 0.00 175.35 174.12 2fki n PRO 14 N 5.41 1.85 0.00 -1.68 -0.02 -1.26 -2.09 135.00 137.21 2fki n PRO 14 Ca 0.02 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2fki n PRO 14 Cb 0.49 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2fki n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fki n GLY 15 N 3.44 2.18 3.68 -1.23 0.00 -0.90 -4.73 105.19 107.63 2fki n GLY 15 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.28 3.56 -0.09 4.61 0.00 -0.89 -4.09 121.76 122.58 2fki s ALA 16 Ca 0.00 0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.64 2fki s ALA 16 Cb 0.00 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.56 2fki s ALA 16 CO 0.00 -0.92 -0.19 -2.00 0.00 0.00 0.00 175.76 172.65 2fki s GLU 17 N 2.65 2.49 -0.11 0.00 2.12 0.83 -4.70 118.70 121.97 2fki s GLU 17 Ca 0.58 -0.68 -0.05 0.00 0.36 0.00 0.00 54.97 55.18 2fki s GLU 17 Cb -0.26 -1.95 -0.04 0.00 0.26 0.00 0.00 34.13 32.14 2fki s GLU 17 CO 0.21 0.09 0.06 -0.65 -0.54 0.00 0.00 175.26 174.43 2fki s GLN 18 N 0.55 3.31 -0.17 4.30 -0.21 -1.26 -0.27 119.66 125.92 2fki s GLN 18 Ca -0.15 -0.30 -0.04 0.00 0.02 0.00 0.00 55.36 54.89 2fki s GLN 18 Cb -0.17 -3.01 0.07 0.00 1.00 0.00 0.00 33.01 30.90 2fki s GLN 18 CO 0.05 0.66 0.14 -1.12 -2.12 0.00 0.00 175.29 172.90 2fki s SER 19 N -0.73 1.81 -0.26 5.90 0.01 0.22 -4.97 113.70 115.68 2fki s SER 19 Ca 0.12 -0.36 -0.29 0.00 1.31 0.00 0.00 55.95 56.73 2fki s SER 19 Cb -0.12 0.01 -0.00 0.00 0.21 0.00 0.00 66.02 66.12 2fki s SER 19 CO 0.03 -0.33 1.29 0.54 0.41 0.00 0.00 173.24 175.18 2fki s VAL 20 N 2.22 4.19 -0.22 3.43 0.11 -1.26 -0.67 120.40 128.18 2fki s VAL 20 Ca 0.04 1.37 -0.28 0.00 -2.93 0.00 0.00 61.98 60.17 2fki s VAL 20 Cb -0.15 -4.11 0.01 0.00 -1.53 0.00 0.00 36.38 30.60 2fki s VAL 20 CO -0.09 -0.37 1.01 -2.28 -3.33 0.00 0.00 175.10 170.04 2fki s HIS 21 N 4.12 3.35 -0.78 1.54 2.46 0.10 -4.95 115.29 121.13 2fki s HIS 21 Ca 0.56 1.43 -0.26 0.00 0.47 0.00 0.00 55.06 57.27 2fki s HIS 21 Cb -0.18 -3.23 0.00 0.00 -0.13 0.00 0.00 32.58 29.04 2fki s HIS 21 CO 0.20 -0.45 1.64 1.21 -2.47 0.00 0.00 174.74 174.87 2fki s ASN 22 N 1.21 5.72 0.14 9.88 3.84 -1.26 -3.57 114.94 130.90 2fki s ASN 22 Ca 0.43 -0.43 0.00 0.00 0.21 0.00 0.00 52.86 53.07 2fki s ASN 22 Cb -0.15 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.00 2fki s ASN 22 CO 0.07 -2.14 0.00 -0.67 -2.79 0.00 0.00 177.10 171.57 2fki n ASP 23 N 11.35 -1.22 -2.05 -4.21 2.03 -1.26 -4.99 116.55 116.20 2fki n ASP 23 Ca 0.22 0.27 0.01 0.00 0.52 0.00 0.00 54.79 55.80 2fki n ASP 23 Cb 0.50 1.47 0.03 0.00 -0.72 0.00 0.00 41.12 42.40 2fki n ASP 23 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 2fki n TRP 24 N -2.78 0.23 -2.53 -0.67 4.27 -1.26 -5.03 117.44 109.66 2fki n TRP 24 Ca 0.00 -1.22 -0.05 0.00 -3.89 0.00 0.00 57.50 52.34 2fki n TRP 24 Cb 0.00 0.09 0.01 0.00 -1.36 0.00 0.00 31.31 30.04 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 -0.18 -1.58 -3.72 -2.67 5.02 -1.26 -4.52 118.16 109.25 2fki n LYS 25 Ca -0.00 1.59 -0.29 0.00 -2.02 0.00 0.00 58.31 57.59 2fki n LYS 25 Cb 0.94 -4.60 -0.16 0.00 -0.02 0.00 0.00 35.03 31.19 2fki n LYS 25 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2fki s ALA 26 N -2.38 1.17 -0.31 7.82 0.00 -1.23 -2.66 121.76 124.17 2fki s ALA 26 Ca 0.14 -1.08 -0.19 0.00 0.00 0.00 0.00 51.96 50.84 2fki s ALA 26 Cb -0.04 -1.36 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 2fki s ALA 26 CO 0.56 -1.38 0.54 0.99 0.00 0.00 0.00 175.76 176.47 2fki s THR 27 N 1.79 5.01 -0.25 0.00 2.01 0.15 0.01 115.64 124.36 2fki s THR 27 Ca 0.03 0.65 -0.11 0.00 0.31 0.00 0.00 61.69 62.57 2fki s THR 27 Cb -0.17 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 2fki s THR 27 CO -0.16 -0.10 0.17 -1.10 -0.69 0.00 0.00 174.62 172.74 2fki s GLN 28 N 2.42 4.05 -0.29 4.92 -0.21 0.15 -1.90 119.66 128.80 2fki s GLN 28 Ca 0.21 -0.26 -0.09 0.00 0.02 0.00 0.00 55.36 55.23 2fki s GLN 28 Cb -0.15 -3.57 -0.02 0.00 1.00 0.00 0.00 33.01 30.27 2fki s GLN 28 CO 0.12 0.00 0.14 0.42 -2.12 0.00 0.00 175.29 173.85 2fki s ILE 29 N 1.22 4.64 0.07 1.08 1.01 -1.04 -0.61 121.20 127.58 2fki s ILE 29 Ca 0.08 -0.28 0.06 0.00 0.00 0.00 0.00 60.65 60.50 2fki s ILE 29 Cb -0.14 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 2fki s ILE 29 CO 0.06 0.15 -0.16 -0.54 0.00 0.00 0.00 174.94 174.45 2fki s LYS 30 N 1.64 0.92 -0.02 2.79 1.02 0.62 -2.99 119.74 123.72 2fki s LYS 30 Ca 0.05 -0.96 0.15 0.00 0.02 0.00 0.00 55.97 55.23 2fki s LYS 30 Cb -0.16 -0.99 0.48 0.00 -0.52 0.00 0.00 37.83 36.63 2fki s LYS 30 CO 0.06 0.23 1.38 1.33 -0.92 0.00 0.00 175.35 177.43 2fki n VAL 31 N 1.36 0.88 0.00 3.17 0.24 -1.16 -0.12 118.33 122.70 2fki n VAL 31 Ca -0.20 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.36 2fki n VAL 31 Cb 0.54 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 33.16 2fki n VAL 31 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2fki n GLU 32 N 0.94 0.00 -0.30 7.34 4.07 -1.26 -4.83 120.64 126.60 2fki n GLU 32 Ca 0.18 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.28 2fki n GLU 32 Cb 0.51 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.89 2fki n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2fki n ASP 33 N 0.00 0.00 -4.41 4.31 2.03 -1.26 -5.05 116.55 112.17 2fki n ASP 33 Ca 0.00 -1.52 -0.44 0.00 0.52 0.00 0.00 54.79 53.35 2fki n ASP 33 Cb 0.00 -0.10 -0.06 0.00 -0.72 0.00 0.00 41.12 40.24 2fki n ASP 33 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2fki s VAL 34 N 0.00 4.97 -0.46 5.18 1.01 -1.26 -5.02 120.40 124.82 2fki s VAL 34 Ca 0.00 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 60.89 2fki s VAL 34 Cb 0.00 -4.31 0.03 0.00 0.00 0.00 0.00 36.38 32.10 2fki s VAL 34 CO 0.00 -0.83 1.07 -0.22 0.00 0.00 0.00 175.10 175.12 2fki s LEU 35 N 2.34 3.77 -0.19 3.92 2.96 -1.26 -2.98 118.68 127.24 2fki s LEU 35 Ca 0.11 0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 54.39 2fki s LEU 35 Cb -0.22 -3.44 -0.22 0.00 0.50 0.00 0.00 46.19 42.81 2fki s LEU 35 CO 0.09 -1.17 0.07 2.22 -1.32 0.00 0.00 176.35 176.24 2fki n PHE 36 N 7.57 0.63 -3.80 5.38 -1.74 -1.16 -5.03 117.46 119.31 2fki n PHE 36 Ca 0.10 0.13 -0.09 0.00 -0.56 0.00 0.00 57.45 57.03 2fki n PHE 36 Cb 0.49 -1.08 -0.06 0.00 1.52 0.00 0.00 39.48 40.34 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 -2.54 -0.42 -0.00 1.98 0.00 -1.26 -4.49 121.76 115.04 2fki s ALA 37 Ca -0.28 -0.48 -0.13 0.00 0.00 0.00 0.00 51.96 51.07 2fki s ALA 37 Cb 0.08 0.61 0.02 0.00 0.00 0.00 0.00 23.12 23.82 2fki s ALA 37 CO 0.69 -0.58 0.27 0.00 0.00 0.00 0.00 175.76 176.14 2fki s MET 38 N -3.86 0.64 -0.11 0.00 0.23 -1.17 -2.49 119.30 112.53 2fki s MET 38 Ca 0.06 -0.29 -0.01 0.00 -1.03 0.00 0.00 55.69 54.43 2fki s MET 38 Cb 0.04 0.28 -0.03 0.00 -1.53 0.00 0.00 34.83 33.59 2fki s MET 38 CO -0.09 -0.18 -0.07 0.54 -2.03 0.00 0.00 175.02 173.19 2fki s VAL 39 N -1.50 3.63 0.01 5.16 0.11 -0.80 -1.14 120.40 125.87 2fki s VAL 39 Ca -0.13 -0.47 0.02 0.00 -2.93 0.00 0.00 61.98 58.47 2fki s VAL 39 Cb -0.05 -2.54 -0.01 0.00 -1.53 0.00 0.00 36.38 32.25 2fki s VAL 39 CO 0.03 0.54 -0.06 -0.54 -3.33 0.00 0.00 175.10 171.74 2fki s LYS 40 N -0.11 0.45 -0.40 1.54 1.02 0.68 -0.67 119.74 122.25 2fki s LYS 40 Ca 0.01 -0.33 -0.15 0.00 0.02 0.00 0.00 55.97 55.52 2fki s LYS 40 Cb -0.13 -0.38 0.01 0.00 -0.52 0.00 0.00 37.83 36.81 2fki s LYS 40 CO 0.03 0.10 0.33 -2.00 -0.92 0.00 0.00 175.35 172.88 2fki s GLU 41 N -0.48 3.13 0.01 1.68 2.12 -1.09 -0.47 118.70 123.60 2fki s GLU 41 Ca -0.01 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.47 2fki s GLU 41 Cb -0.04 -3.94 -0.01 0.00 0.26 0.00 0.00 34.13 30.41 2fki s GLU 41 CO -0.00 -0.71 -0.02 0.54 -0.54 0.00 0.00 175.26 174.54 2fki s VAL 42 N 1.82 0.06 -1.62 3.70 0.11 -0.20 -4.71 120.40 119.56 2fki s VAL 42 Ca 0.07 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 2fki s VAL 42 Cb -0.18 -0.14 0.00 0.00 -1.53 0.00 0.00 36.38 34.53 2fki s VAL 42 CO 0.11 -0.24 0.00 1.21 -3.33 0.00 0.00 175.10 172.85 2fki n GLU 43 N 2.37 -1.11 -1.50 1.54 2.13 -1.26 -0.75 120.64 122.05 2fki n GLU 43 Ca -0.18 1.01 -0.15 0.00 0.66 0.00 0.00 57.16 58.50 2fki n GLU 43 Cb 0.58 -5.21 -0.06 0.00 0.27 0.00 0.00 31.44 27.02 2fki n GLU 43 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2fki n ASN 44 N -0.60 -4.83 -4.25 4.31 4.05 -1.26 -5.00 115.26 107.68 2fki n ASN 44 Ca -0.16 0.36 -0.32 0.00 0.45 0.00 0.00 54.58 54.90 2fki n ASN 44 Cb 0.53 -3.70 -0.16 0.00 1.23 0.00 0.00 39.78 37.68 2fki n ASN 44 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 2fki s ARG 45 N -3.39 3.11 -0.39 1.20 0.52 0.07 -5.08 118.95 114.99 2fki s ARG 45 Ca 0.00 -0.84 -0.28 0.00 -0.52 0.00 0.00 55.73 54.09 2fki s ARG 45 Cb 0.00 -2.37 -0.02 0.00 0.52 0.00 0.00 34.95 33.08 2fki s ARG 45 CO 0.00 0.18 1.81 -1.25 0.02 0.00 0.00 175.30 176.06 2fki s PRO 46 N 0.36 3.18 0.13 3.54 0.04 -1.26 -1.03 135.00 139.97 2fki s PRO 46 Ca -0.17 1.25 0.09 0.00 0.04 0.00 0.00 61.00 62.21 2fki s PRO 46 Cb -0.18 -4.24 -0.04 0.00 0.04 0.00 0.00 34.50 30.09 2fki s PRO 46 CO 0.08 -2.04 -0.20 0.00 0.04 0.00 0.00 177.00 174.87 2fki s ALA 47 N 7.37 1.96 -0.02 8.56 0.00 0.38 -3.74 121.76 136.27 2fki s ALA 47 Ca 0.77 -1.38 0.05 0.00 0.00 0.00 0.00 51.96 51.41 2fki s ALA 47 Cb -0.20 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2fki s ALA 47 CO 0.31 0.33 -0.18 0.54 0.00 0.00 0.00 175.76 176.76 2fki s VAL 48 N -1.53 2.76 -0.17 0.00 0.11 -0.79 -0.23 120.40 120.56 2fki s VAL 48 Ca 0.11 -0.93 -0.01 0.00 -2.93 0.00 0.00 61.98 58.23 2fki s VAL 48 Cb -0.08 -2.08 -0.00 0.00 -1.53 0.00 0.00 36.38 32.69 2fki s VAL 48 CO 0.06 0.52 -0.13 -0.44 -3.33 0.00 0.00 175.10 171.78 2fki s SER 49 N -0.89 3.79 0.45 3.54 0.01 -0.29 -0.30 113.70 120.02 2fki s SER 49 Ca 0.12 -0.45 0.06 0.00 1.31 0.00 0.00 55.95 57.00 2fki s SER 49 Cb -0.10 -1.60 -0.02 0.00 0.21 0.00 0.00 66.02 64.50 2fki s SER 49 CO 0.01 0.07 0.24 -0.76 0.41 0.00 0.00 173.24 173.21 2fki s LEU 50 N 0.90 2.97 0.00 2.44 1.02 -0.36 -3.05 118.68 122.60 2fki s LEU 50 Ca -0.03 -1.14 -0.03 0.00 0.02 0.00 0.00 54.13 52.95 2fki s LEU 50 Cb -0.15 -1.38 0.11 0.00 0.02 0.00 0.00 46.19 44.80 2fki s LEU 50 CO -0.01 -0.71 0.75 0.29 0.02 0.00 0.00 176.35 176.69 2fki n LYS 51 N -1.39 -0.16 -2.27 1.70 5.02 -1.26 -1.29 118.16 118.50 2fki n LYS 51 Ca -0.02 -1.75 -0.41 0.00 -2.02 0.00 0.00 58.31 54.11 2fki n LYS 51 Cb 0.64 -0.59 -0.01 0.00 -0.02 0.00 0.00 35.03 35.05 2fki n LYS 51 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2fki n THR 52 N -2.63 3.44 -3.21 -0.18 5.66 -1.26 -4.79 114.28 111.30 2fki n THR 52 Ca 0.11 -3.46 -0.30 0.00 -3.05 0.00 0.00 64.05 57.35 2fki n THR 52 Cb 0.40 -2.37 -0.04 0.00 -1.55 0.00 0.00 70.33 66.77 2fki n THR 52 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2fki s SER 53 N 4.41 6.56 0.17 1.09 0.01 -1.26 -4.87 113.70 119.79 2fki s SER 53 Ca 0.55 0.95 -0.26 0.00 1.31 0.00 0.00 55.95 58.50 2fki s SER 53 Cb 0.06 -2.24 0.03 0.00 0.21 0.00 0.00 66.02 64.07 2fki s SER 53 CO 0.06 -0.21 1.57 -0.65 0.41 0.00 0.00 173.24 174.41 2fki h PRO 54 N 1.90 -0.23 -0.12 12.44 0.11 -1.99 0.45 132.00 144.56 2fki h PRO 54 Ca -0.47 0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.55 2fki h PRO 54 Cb 1.18 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2fki h PRO 54 CO 0.66 -0.16 -0.40 0.93 -0.21 0.00 0.00 178.00 178.83 2fki h GLU 55 N -0.24 0.27 -0.30 1.05 3.07 -1.99 -2.33 114.58 114.11 2fki h GLU 55 Ca 0.17 -0.12 -0.16 0.00 -0.50 0.00 0.00 59.36 58.75 2fki h GLU 55 Cb 0.57 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 2fki h GLU 55 CO -0.67 0.63 -0.45 -0.07 -1.40 0.00 0.00 179.01 177.04 2fki h LEU 56 N 0.23 0.83 -0.90 1.33 -0.00 -1.55 0.18 115.31 115.42 2fki h LEU 56 Ca 0.02 -0.40 -0.07 0.00 -0.00 0.00 0.00 57.88 57.43 2fki h LEU 56 Cb 0.81 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.21 2fki h LEU 56 CO 0.06 1.16 0.04 0.00 -0.00 0.00 0.00 178.44 179.70 2fki h ALA 57 N 0.87 1.09 -0.14 1.53 0.00 0.03 -0.24 119.26 122.41 2fki h ALA 57 Ca 0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2fki h ALA 57 Cb 1.02 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2fki h ALA 57 CO 0.10 0.58 -0.07 0.93 0.00 0.00 0.00 179.25 180.79 2fki h GLU 58 N 0.80 0.29 -0.87 0.00 4.39 -1.23 -3.17 114.58 114.79 2fki h GLU 58 Ca 0.16 -0.13 0.13 0.00 0.34 0.00 0.00 59.36 59.86 2fki h GLU 58 Cb 0.42 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.98 2fki h GLU 58 CO 0.01 0.62 0.48 1.25 -1.16 0.00 0.00 179.01 180.22 2fki h LEU 59 N -0.06 0.65 -1.31 1.33 6.46 -0.33 -0.97 115.31 121.08 2fki h LEU 59 Ca 0.03 0.07 0.12 0.00 -0.12 0.00 0.00 57.88 57.98 2fki h LEU 59 Cb 0.54 -0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.36 2fki h LEU 59 CO 0.02 0.32 0.55 0.25 -0.62 0.00 0.00 178.44 178.96 2fki h LEU 60 N 0.74 0.67 0.01 2.25 5.85 -1.02 0.65 115.31 124.45 2fki h LEU 60 Ca 0.45 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 59.17 2fki h LEU 60 Cb 0.54 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2fki h LEU 60 CO -0.31 0.37 -0.11 0.03 -0.34 0.00 0.00 178.44 178.09 2fki h ARG 61 N 0.73 0.06 0.14 1.25 -0.00 -1.25 -3.37 114.38 111.94 2fki h ARG 61 Ca 0.41 -0.08 -0.30 0.00 -0.50 0.00 0.00 59.98 59.51 2fki h ARG 61 Cb 0.56 0.02 0.03 0.00 0.00 0.00 0.00 29.97 30.58 2fki h ARG 61 CO -0.17 0.91 -1.24 1.96 0.00 0.00 0.00 179.97 181.43 2fki h GLN 62 N -0.76 0.59 -3.79 0.04 7.50 -0.89 -3.40 115.11 114.41 2fki h GLN 62 Ca -0.02 -0.83 -0.65 0.00 0.50 0.00 0.00 58.65 57.66 2fki h GLN 62 Cb 0.96 0.28 -0.41 0.00 0.05 0.00 0.00 27.48 28.36 2fki h GLN 62 CO 0.02 1.38 -0.66 -0.65 -1.50 0.00 0.00 178.83 177.42 2fki s GLN 63 N -2.90 1.80 0.00 1.46 -0.21 0.22 -4.88 119.66 115.16 2fki s GLN 63 Ca -0.10 -2.37 0.03 0.00 0.02 0.00 0.00 55.36 52.94 2fki s GLN 63 Cb 0.05 -3.26 0.05 0.00 1.00 0.00 0.00 33.01 30.84 2fki s GLN 63 CO 0.93 -1.06 0.74 1.58 -2.12 0.00 0.00 175.29 175.36 2fki n HIS 64 N 3.48 0.04 0.08 0.91 -0.00 -1.26 -4.37 115.22 114.10 2fki n HIS 64 Ca 0.05 -0.14 -0.07 0.00 0.46 0.00 0.00 57.72 58.02 2fki n HIS 64 Cb 0.35 -0.01 0.04 0.00 -0.12 0.00 0.00 29.99 30.25 2fki n HIS 64 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2fki n SER 65 N 0.09 4.09 0.17 0.26 7.64 -1.26 -4.29 113.62 120.31 2fki n SER 65 Ca 0.02 -2.51 0.00 0.00 1.01 0.00 0.00 58.87 57.40 2fki n SER 65 Cb 0.15 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 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 0.37 -3.09 -4.67 6.43 -0.08 -1.26 -5.01 116.55 109.23 2fki n ASP 66 Ca 0.15 0.81 -0.44 0.00 -1.51 0.00 0.00 54.79 53.79 2fki n ASP 66 Cb 0.70 3.00 -0.04 0.00 2.34 0.00 0.00 41.12 47.13 2fki n ASP 66 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 2fki n VAL 67 N -3.33 0.69 -3.75 5.18 0.24 -1.26 -4.58 118.33 111.51 2fki n VAL 67 Ca 0.00 -0.12 -0.29 0.00 -2.04 0.00 0.00 64.34 61.88 2fki n VAL 67 Cb 0.00 -2.16 -0.15 0.00 -1.47 0.00 0.00 33.84 30.06 2fki n VAL 67 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2fki s ARG 68 N 4.23 0.76 0.26 7.34 0.52 -0.08 -4.91 118.95 127.08 2fki s ARG 68 Ca 0.90 -0.89 -0.03 0.00 -0.52 0.00 0.00 55.73 55.19 2fki s ARG 68 Cb -0.52 -2.05 0.37 0.00 0.52 0.00 0.00 34.95 33.27 2fki s ARG 68 CO 0.45 -0.87 1.89 -1.35 0.02 0.00 0.00 175.30 175.44 2fki h PRO 69 N 8.12 1.17 -1.45 3.54 0.11 -1.80 -3.26 132.00 138.43 2fki h PRO 69 Ca -0.15 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2fki h PRO 69 Cb 1.05 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2fki h PRO 69 CO 0.43 0.78 -0.37 0.45 -0.21 0.00 0.00 178.00 179.08 2fki n SER 70 N -4.48 -3.50 0.00 -2.05 2.88 -1.26 -4.26 113.62 100.95 2fki n SER 70 Ca 0.15 0.66 0.12 0.00 -1.33 0.00 0.00 58.87 58.46 2fki n SER 70 Cb 0.15 -1.34 0.61 0.00 -0.75 0.00 0.00 64.21 62.88 2fki n SER 70 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2fki n ARG 71 N -1.64 0.36 0.11 -1.46 0.63 -1.26 -1.38 116.66 112.01 2fki n ARG 71 Ca 0.00 0.06 -0.04 0.00 -0.92 0.00 0.00 57.85 56.95 2fki n ARG 71 Cb 0.13 -1.50 0.11 0.00 0.45 0.00 0.00 32.46 31.65 2fki n ARG 71 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2fki h HIS 72 N 0.00 0.13 0.00 -0.14 2.76 -2.01 -3.31 115.15 112.58 2fki h HIS 72 Ca 0.00 -0.06 -0.11 0.00 -2.20 0.00 0.00 60.37 58.00 2fki h HIS 72 Cb 0.22 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.14 2fki h HIS 72 CO 0.00 0.75 -1.68 1.28 -1.30 0.00 0.00 177.93 176.98 2fki n LEU 73 N -3.76 0.00 -0.38 0.26 4.77 -1.06 -5.12 117.00 111.70 2fki n LEU 73 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2fki n LEU 73 Cb 0.67 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 2fki n LEU 73 CO 0.44 0.15 -0.11 -3.20 -1.33 0.00 0.00 177.39 173.34 2fki n ASN 74 N -2.18 -2.84 0.15 -1.43 5.15 -0.48 -4.24 115.26 109.39 2fki n ASN 74 Ca -0.11 0.30 -0.15 0.00 -0.60 0.00 0.00 54.58 54.02 2fki n ASN 74 Cb 0.60 -0.38 -0.08 0.00 -0.53 0.00 0.00 39.78 39.40 2fki n ASN 74 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 2fki h LYS 75 N 0.40 -0.68 -1.00 1.20 1.57 -1.79 -1.84 116.57 114.43 2fki h LYS 75 Ca 0.00 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2fki h LYS 75 Cb 0.00 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2fki h LYS 75 CO 0.00 -0.46 0.00 0.00 -0.57 0.00 0.00 179.45 178.42 2fki n ALA 76 N -2.81 2.49 0.03 3.86 0.00 -1.26 -3.50 120.51 119.33 2fki n ALA 76 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 2fki n ALA 76 Cb 0.39 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 0.19 0.00 -4.09 0.00 8.25 -0.72 -4.90 115.22 113.95 2fki n HIS 77 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 2fki n HIS 77 Cb 0.34 -0.03 -0.12 0.00 1.12 0.00 0.00 29.99 31.30 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 -2.05 0.66 -0.07 4.41 0.52 -1.01 -4.49 118.94 116.91 2fki s TRP 78 Ca -0.02 -0.42 0.03 0.00 0.02 0.00 0.00 56.10 55.72 2fki s TRP 78 Cb 0.00 -0.40 0.00 0.00 -1.15 0.00 0.00 33.47 31.93 2fki s TRP 78 CO 0.03 -0.06 -0.17 0.45 0.02 0.00 0.00 176.95 177.22 2fki s SER 79 N -1.31 2.22 -0.29 2.95 0.15 -0.41 -4.50 113.70 112.52 2fki s SER 79 Ca -0.07 -0.38 -0.08 0.00 0.70 0.00 0.00 55.95 56.12 2fki s SER 79 Cb -0.08 -0.88 -0.00 0.00 -1.71 0.00 0.00 66.02 63.34 2fki s SER 79 CO 0.00 0.11 0.10 -0.89 1.20 0.00 0.00 173.24 173.76 2fki s THR 80 N 0.36 4.22 -0.20 6.45 2.01 -1.23 -1.23 115.64 126.02 2fki s THR 80 Ca -0.12 -0.50 -0.14 0.00 0.31 0.00 0.00 61.69 61.24 2fki s THR 80 Cb -0.15 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 2fki s THR 80 CO 0.04 0.14 0.33 -0.69 -0.69 0.00 0.00 174.62 173.75 2fki s VAL 81 N 1.56 5.25 -0.23 3.82 1.01 0.59 -0.90 120.40 131.51 2fki s VAL 81 Ca 0.04 0.58 -0.14 0.00 0.00 0.00 0.00 61.98 62.46 2fki s VAL 81 Cb -0.17 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2fki s VAL 81 CO 0.04 0.30 0.34 -0.31 0.00 0.00 0.00 175.10 175.47 2fki s TYR 82 N 1.07 3.33 -1.25 5.22 1.51 -1.26 -1.88 117.35 124.09 2fki s TYR 82 Ca 0.16 0.48 -0.09 0.00 -1.01 0.00 0.00 57.07 56.62 2fki s TYR 82 Cb -0.14 -2.48 -0.12 0.00 -0.11 0.00 0.00 41.96 39.11 2fki s TYR 82 CO 0.06 -0.04 3.02 1.28 -1.11 0.00 0.00 175.55 178.76 2fki n LEU 83 N 4.63 7.74 0.07 -1.29 4.77 -1.25 -4.24 117.00 127.44 2fki n LEU 83 Ca -0.10 -4.00 0.04 0.00 -0.03 0.00 0.00 56.01 51.93 2fki n LEU 83 Cb 0.51 -1.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.07 2fki n LEU 83 CO 0.38 1.88 -0.13 -0.78 -1.33 0.00 0.00 177.39 177.41 2fki h ASP 84 N 4.71 0.00 0.00 -1.43 3.58 -1.93 -3.48 116.42 117.87 2fki h ASP 84 Ca 0.71 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.16 2fki h ASP 84 Cb 0.51 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2fki h ASP 84 CO 1.45 0.36 0.00 0.61 -2.88 0.00 0.00 179.24 178.78 2fki n GLY 85 N 1.31 0.14 0.29 -0.78 0.00 -1.26 -5.01 105.19 99.88 2fki n GLY 85 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 2fki n GLY 85 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2fki h SER 86 N 0.00 1.03 -2.93 1.61 0.02 -1.93 -3.43 113.55 107.93 2fki h SER 86 Ca 0.00 -0.37 -0.62 0.00 -0.84 0.00 0.00 61.79 59.96 2fki h SER 86 Cb 0.00 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.21 2fki h SER 86 CO 0.00 1.16 -0.40 -0.76 -1.14 0.00 0.00 176.83 175.70 2fki s LEU 87 N -9.17 4.36 0.86 5.07 2.01 -1.26 -5.09 118.68 115.46 2fki s LEU 87 Ca -0.12 0.52 -0.11 0.00 0.01 0.00 0.00 54.13 54.43 2fki s LEU 87 Cb 0.13 -2.77 0.11 0.00 0.01 0.00 0.00 46.19 43.67 2fki s LEU 87 CO 0.87 0.22 1.09 -2.16 1.01 0.00 0.00 176.35 177.38 2fki s PRO 88 N -1.95 1.51 0.23 1.29 0.04 -1.26 -4.95 135.00 129.91 2fki s PRO 88 Ca 0.30 0.98 -0.04 0.00 0.04 0.00 0.00 61.00 62.28 2fki s PRO 88 Cb -0.13 -1.83 0.24 0.00 0.04 0.00 0.00 34.50 32.83 2fki s PRO 88 CO 0.18 -2.11 1.72 0.22 0.04 0.00 0.00 177.00 177.05 2fki h ASP 89 N -1.46 0.87 0.06 6.66 1.82 -1.98 -2.34 116.42 120.04 2fki h ASP 89 Ca -0.47 -0.22 -0.01 0.00 -0.39 0.00 0.00 57.03 55.94 2fki h ASP 89 Cb 1.27 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 41.04 2fki h ASP 89 CO 0.52 0.92 -0.04 0.28 -1.61 0.00 0.00 179.24 179.32 2fki h SER 90 N 0.84 0.00 -0.14 2.28 0.02 -2.03 -1.85 113.55 112.67 2fki h SER 90 Ca 0.16 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 2fki h SER 90 Cb 0.48 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2fki h SER 90 CO 0.02 0.04 0.01 -0.61 -1.14 0.00 0.00 176.83 175.14 2fki h GLN 91 N 0.00 0.35 -0.81 3.45 5.75 -1.78 -2.89 115.11 119.18 2fki h GLN 91 Ca -0.00 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 2fki h GLN 91 Cb 0.07 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 2fki h GLN 91 CO 0.00 0.38 0.46 0.82 -2.65 0.00 0.00 178.83 177.84 2fki h ILE 92 N 0.35 1.24 -0.59 2.39 2.04 -1.44 -1.52 117.51 119.98 2fki h ILE 92 Ca 0.08 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.38 2fki h ILE 92 Cb 0.23 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 2fki h ILE 92 CO 0.00 0.26 0.39 1.88 0.00 0.00 0.00 178.15 180.68 2fki h TYR 93 N 1.12 0.74 -0.61 1.37 0.05 -1.64 -2.80 116.97 115.19 2fki h TYR 93 Ca 0.29 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 59.06 2fki h TYR 93 Cb 0.01 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.47 2fki h TYR 93 CO 0.00 0.46 0.30 -0.92 -1.05 0.00 0.00 178.16 176.95 2fki h TYR 94 N 0.79 0.88 -0.84 4.88 3.20 -1.42 -2.34 116.97 122.12 2fki h TYR 94 Ca 0.22 -0.04 0.09 0.00 3.14 0.00 0.00 58.73 62.13 2fki h TYR 94 Cb -0.09 -0.27 -0.07 0.00 1.54 0.00 0.00 36.73 37.84 2fki h TYR 94 CO -0.03 0.66 0.49 -0.07 -1.64 0.00 0.00 178.16 177.57 2fki h LEU 95 N 0.84 0.73 0.04 2.82 3.38 -1.03 0.75 115.31 122.83 2fki h LEU 95 Ca 0.21 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.11 2fki h LEU 95 Cb 0.11 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.77 2fki h LEU 95 CO -0.03 0.43 -0.46 0.58 0.09 0.00 0.00 178.44 179.04 2fki h VAL 96 N 0.84 1.54 -0.33 1.22 2.07 -1.44 -3.08 116.25 117.07 2fki h VAL 96 Ca 0.40 -2.20 -0.14 0.00 0.82 0.00 0.00 66.70 65.58 2fki h VAL 96 Cb 0.32 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 2fki h VAL 96 CO -0.23 0.61 -0.37 -0.78 0.02 0.00 0.00 177.57 176.83 2fki h ASP 97 N -0.43 0.81 0.11 0.57 3.58 -1.18 -2.54 116.42 117.34 2fki h ASP 97 Ca -0.07 -0.35 -0.14 0.00 0.42 0.00 0.00 57.03 56.89 2fki h ASP 97 Cb 1.26 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 2fki h ASP 97 CO 0.09 1.09 -0.50 0.00 -2.88 0.00 0.00 179.24 177.04 2fki h ALA 98 N 0.95 0.84 -0.15 -0.78 0.00 -0.98 -1.15 119.26 117.98 2fki h ALA 98 Ca 0.06 -0.48 -0.21 0.00 0.00 0.00 0.00 54.91 54.28 2fki h ALA 98 Cb 0.91 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2fki h ALA 98 CO 0.08 0.67 -0.73 0.66 0.00 0.00 0.00 179.25 179.93 2fki h SER 99 N 0.35 0.81 -0.29 0.00 4.64 -1.44 -1.92 113.55 115.70 2fki h SER 99 Ca 0.02 -0.52 -0.05 0.00 -0.47 0.00 0.00 61.79 60.77 2fki h SER 99 Cb 1.00 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 2fki h SER 99 CO 0.09 1.30 -0.00 0.22 -0.87 0.00 0.00 176.83 177.56 2fki h TYR 100 N 0.48 0.57 0.28 4.77 3.20 -1.42 -2.96 116.97 121.89 2fki h TYR 100 Ca -0.04 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.73 2fki h TYR 100 Cb 1.34 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.45 2fki h TYR 100 CO 0.07 0.66 -0.25 0.37 -1.64 0.00 0.00 178.16 177.37 2fki h GLN 101 N 0.31 -0.53 -0.54 1.82 -0.00 -1.15 -2.53 115.11 112.49 2fki h GLN 101 Ca 0.08 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.77 2fki h GLN 101 Cb 0.44 0.12 -0.03 0.00 0.00 0.00 0.00 27.48 28.01 2fki h GLN 101 CO 0.02 -0.35 0.34 -0.56 0.00 0.00 0.00 178.83 178.27 2fki h GLN 102 N -0.55 0.72 -0.67 1.69 3.07 -1.41 -1.94 115.11 116.00 2fki h GLN 102 Ca -0.01 -0.05 -0.05 0.00 0.09 0.00 0.00 58.65 58.62 2fki h GLN 102 Cb 0.50 -0.16 -0.03 0.00 0.08 0.00 0.00 27.48 27.87 2fki h GLN 102 CO -0.03 0.49 0.21 0.00 0.09 0.00 0.00 178.83 179.59 2fki h ALA 103 N 1.64 0.88 -0.04 0.06 0.00 -1.32 -2.43 119.26 118.06 2fki h ALA 103 Ca 0.20 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2fki h ALA 103 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2fki h ALA 103 CO -0.04 0.56 -0.20 0.28 0.00 0.00 0.00 179.25 179.84 2fki h VAL 104 N 0.98 1.17 0.00 0.00 2.07 -0.94 -1.84 116.25 117.68 2fki h VAL 104 Ca 0.22 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 2fki h VAL 104 Cb 0.30 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2fki h VAL 104 CO -0.01 0.23 -0.28 0.78 0.02 0.00 0.00 177.57 178.31 2fki h ASN 105 N 0.05 0.00 0.69 0.57 2.35 -1.17 -3.17 115.58 114.90 2fki h ASN 105 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2fki h ASN 105 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2fki h ASN 105 CO 0.03 0.28 -0.95 0.18 -1.65 0.00 0.00 177.43 175.31 2fki n LEU 106 N -3.30 0.67 -4.83 1.61 4.77 -0.74 -4.91 117.00 110.27 2fki n LEU 106 Ca 0.01 0.15 -0.36 0.00 -0.03 0.00 0.00 56.01 55.78 2fki n LEU 106 Cb 0.53 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 2fki n LEU 106 CO 0.35 -0.05 0.32 -0.76 -1.33 0.00 0.00 177.39 175.93 2fki s LEU 107 N -4.43 4.35 0.99 2.23 1.43 -0.94 -5.07 118.68 117.25 2fki s LEU 107 Ca 0.03 1.25 -0.12 0.00 -1.03 0.00 0.00 54.13 54.26 2fki s LEU 107 Cb 0.13 -3.39 0.18 0.00 0.03 0.00 0.00 46.19 43.14 2fki s LEU 107 CO 0.78 0.08 1.09 -2.16 0.23 0.00 0.00 176.35 176.37 2fki s PRO 108 N -1.91 0.48 0.22 1.29 0.04 -1.26 -4.67 135.00 129.19 2fki s PRO 108 Ca 0.40 0.65 -0.07 0.00 0.04 0.00 0.00 61.00 62.02 2fki s PRO 108 Cb -0.16 -1.73 0.34 0.00 0.04 0.00 0.00 34.50 32.99 2fki s PRO 108 CO 0.20 -2.73 1.77 1.49 0.04 0.00 0.00 177.00 177.76 2fki h GLU 109 N -1.90 0.53 -0.55 4.56 4.57 -1.97 0.49 114.58 120.31 2fki h GLU 109 Ca -0.54 -0.03 0.11 0.00 -1.18 0.00 0.00 59.36 57.72 2fki h GLU 109 Cb 1.32 -0.12 -0.11 0.00 -0.16 0.00 0.00 28.75 29.68 2fki h GLU 109 CO 0.56 0.35 -0.16 1.49 -1.18 0.00 0.00 179.01 180.07 2fki h GLU 110 N 0.55 -0.03 -0.01 1.92 4.22 -2.00 0.29 114.58 119.52 2fki h GLU 110 Ca 0.35 0.00 -0.22 0.00 0.08 0.00 0.00 59.36 59.57 2fki h GLU 110 Cb 0.40 0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.68 2fki h GLU 110 CO -0.29 -0.02 -0.85 -0.22 -2.18 0.00 0.00 179.01 175.45 2fki h LYS 111 N -0.03 0.59 -0.97 1.92 1.63 -1.74 -3.17 116.57 114.80 2fki h LYS 111 Ca 0.26 -0.62 0.08 0.00 -0.85 0.00 0.00 60.65 59.52 2fki h LYS 111 Cb 0.43 0.18 -0.07 0.00 -0.60 0.00 0.00 32.23 32.16 2fki h LYS 111 CO -0.58 1.23 0.62 -0.09 -3.45 0.00 0.00 179.45 177.19 2fki h ARG 112 N 0.19 1.02 -0.15 1.90 2.43 -0.09 0.45 114.38 120.13 2fki h ARG 112 Ca -0.10 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 2fki h ARG 112 Cb 1.53 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 2fki h ARG 112 CO 0.17 0.68 0.06 0.87 -1.51 0.00 0.00 179.97 180.23 2fki h LYS 113 N 1.06 0.23 -0.63 0.20 1.79 -0.52 -3.13 116.57 115.57 2fki h LYS 113 Ca 0.44 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.81 2fki h LYS 113 Cb 0.29 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.88 2fki h LYS 113 CO -0.19 0.33 0.17 -0.07 -1.08 0.00 0.00 179.45 178.61 2fki h LEU 114 N 0.09 0.91 -1.25 2.94 3.38 -1.23 -1.97 115.31 118.17 2fki h LEU 114 Ca 0.05 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 57.92 2fki h LEU 114 Cb 0.19 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 2fki h LEU 114 CO -0.00 0.87 0.54 -0.07 0.09 0.00 0.00 178.44 179.87 2fki h LEU 115 N 0.93 0.79 -0.40 1.67 3.38 -0.92 0.53 115.31 121.29 2fki h LEU 115 Ca 0.20 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 2fki h LEU 115 Cb 0.31 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2fki h LEU 115 CO -0.00 0.50 -0.68 0.58 0.09 0.00 0.00 178.44 178.93 2fki h VAL 116 N 0.89 1.32 0.00 1.22 2.07 -1.37 -3.21 116.25 117.18 2fki h VAL 116 Ca 0.36 -2.46 -0.14 0.00 0.82 0.00 0.00 66.70 65.28 2fki h VAL 116 Cb 0.27 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 2fki h VAL 116 CO -0.13 0.66 -0.68 1.56 0.02 0.00 0.00 177.57 179.00 2fki h GLN 117 N 0.00 0.00 -0.01 1.57 1.08 -0.31 -3.50 115.11 113.94 2fki h GLN 117 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2fki h GLN 117 Cb 1.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 2fki h GLN 117 CO 0.09 0.68 0.00 1.28 -0.95 0.00 0.00 178.83 179.93