#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 2.67 0.34 1.12 2.01 -1.26 -5.03 115.64 115.50 2fki s THR 2 Ca 0.00 -2.09 0.04 0.00 0.31 0.00 0.00 61.69 59.95 2fki s THR 2 Cb 0.00 -2.67 0.29 0.00 0.01 0.00 0.00 72.50 70.12 2fki s THR 2 CO 0.00 -0.27 1.95 0.40 -0.69 0.00 0.00 174.62 176.01 2fki h ILE 3 N 1.96 1.05 0.39 1.82 1.08 -2.05 -1.62 117.51 120.14 2fki h ILE 3 Ca -0.42 -0.29 -0.02 0.00 -0.39 0.00 0.00 64.86 63.74 2fki h ILE 3 Cb 1.25 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 35.14 2fki h ILE 3 CO 0.65 0.15 -0.19 0.28 -0.69 0.00 0.00 178.15 178.35 2fki h SER 4 N 0.84 -0.45 -0.65 1.72 0.02 -1.99 0.24 113.55 113.28 2fki h SER 4 Ca 0.32 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.23 2fki h SER 4 Cb 0.21 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 2fki h SER 4 CO -0.11 -0.32 0.18 -0.33 -1.14 0.00 0.00 176.83 175.11 2fki h GLU 5 N -0.53 1.03 -0.01 3.45 3.07 -1.92 -0.69 114.58 118.97 2fki h GLU 5 Ca -0.05 -0.24 -0.00 0.00 -0.50 0.00 0.00 59.36 58.57 2fki h GLU 5 Cb 0.41 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.18 2fki h GLU 5 CO 0.09 0.92 0.01 1.25 -1.40 0.00 0.00 179.01 179.88 2fki h LEU 6 N 0.96 0.02 -0.24 1.33 7.12 -1.09 0.76 115.31 124.16 2fki h LEU 6 Ca 0.21 -0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.18 2fki h LEU 6 Cb 0.34 -0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.45 2fki h LEU 6 CO -0.00 0.04 0.14 0.25 -0.13 0.00 0.00 178.44 178.74 2fki h LEU 7 N -0.01 0.30 -0.81 2.25 7.12 -0.42 -1.49 115.31 122.25 2fki h LEU 7 Ca 0.01 -0.07 -0.00 0.00 0.13 0.00 0.00 57.88 57.94 2fki h LEU 7 Cb 0.03 -0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 40.04 2fki h LEU 7 CO -0.00 0.29 0.50 -0.61 -0.13 0.00 0.00 178.44 178.49 2fki h GLN 8 N 0.29 1.10 -0.58 1.25 4.15 -0.92 -1.79 115.11 118.60 2fki h GLN 8 Ca 0.09 -0.09 -0.05 0.00 0.77 0.00 0.00 58.65 59.36 2fki h GLN 8 Cb 0.05 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 2fki h GLN 8 CO -0.01 0.76 0.16 -0.92 -1.93 0.00 0.00 178.83 176.89 2fki h TYR 9 N 1.11 0.95 -0.29 3.99 3.20 -0.60 -1.58 116.97 123.75 2fki h TYR 9 Ca 0.29 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 2fki h TYR 9 Cb -0.07 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 37.92 2fki h TYR 9 CO -0.01 0.81 0.16 0.00 -1.64 0.00 0.00 178.16 177.47 2fki h MET 11 N 0.35 0.00 0.00 0.00 1.85 -1.29 -2.09 114.93 113.76 2fki h MET 11 Ca 0.10 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.19 2fki h MET 11 Cb 0.07 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.10 2fki h MET 11 CO -0.02 0.00 0.00 0.00 -0.40 0.00 0.00 176.91 176.49 2fki n ALA 12 N -2.05 2.15 -2.64 0.39 0.00 -0.60 -4.64 120.51 113.12 2fki n ALA 12 Ca 0.01 -0.04 -0.40 0.00 0.00 0.00 0.00 53.44 53.01 2fki n ALA 12 Cb 0.32 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 2fki n ALA 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2fki s LYS 13 N -3.08 4.17 0.13 0.00 -0.14 -0.79 -5.00 119.74 115.03 2fki s LYS 13 Ca 0.11 0.63 -0.35 0.00 -1.36 0.00 0.00 55.97 55.00 2fki s LYS 13 Cb 0.14 -3.61 -0.15 0.00 -1.68 0.00 0.00 37.83 32.53 2fki s LYS 13 CO 0.51 -0.34 1.48 -2.30 -0.76 0.00 0.00 175.35 173.94 2fki n PRO 14 N 5.41 1.75 0.00 -1.68 -0.02 -1.26 -2.56 135.00 136.65 2fki n PRO 14 Ca -0.00 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2fki n PRO 14 Cb 0.49 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 3.03 0.64 3.57 -1.23 0.00 -1.26 -4.95 105.19 104.99 2fki n GLY 15 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.07 2.78 -0.21 4.61 0.00 -1.06 -3.73 121.76 122.09 2fki s ALA 16 Ca 0.00 -0.70 -0.06 0.00 0.00 0.00 0.00 51.96 51.19 2fki s ALA 16 Cb 0.00 -4.12 -0.03 0.00 0.00 0.00 0.00 23.12 18.97 2fki s ALA 16 CO 0.00 -2.99 0.03 -2.00 0.00 0.00 0.00 175.76 170.81 2fki s GLU 17 N 5.58 3.72 -0.25 0.00 -6.30 0.13 -4.87 118.70 116.72 2fki s GLU 17 Ca 0.52 -0.46 -0.18 0.00 -2.50 0.00 0.00 54.97 52.34 2fki s GLU 17 Cb -0.11 -3.18 -0.03 0.00 0.00 0.00 0.00 34.13 30.82 2fki s GLU 17 CO 0.24 0.03 0.53 -0.65 0.02 0.00 0.00 175.26 175.43 2fki s GLN 18 N 0.99 4.09 -0.22 4.30 -0.21 -1.26 -2.18 119.66 125.17 2fki s GLN 18 Ca 0.03 0.36 -0.01 0.00 0.02 0.00 0.00 55.36 55.76 2fki s GLN 18 Cb -0.14 -3.64 0.02 0.00 1.00 0.00 0.00 33.01 30.25 2fki s GLN 18 CO 0.02 -0.33 -0.11 -1.12 -2.12 0.00 0.00 175.29 171.63 2fki s SER 19 N 1.47 3.89 -0.25 5.90 0.01 -0.45 -4.92 113.70 119.35 2fki s SER 19 Ca 0.22 -0.76 -0.17 0.00 1.31 0.00 0.00 55.95 56.56 2fki s SER 19 Cb -0.16 -1.60 -0.03 0.00 0.21 0.00 0.00 66.02 64.44 2fki s SER 19 CO 0.09 -0.07 0.45 0.54 0.41 0.00 0.00 173.24 174.66 2fki s VAL 20 N 1.32 5.13 -0.19 3.43 0.11 -1.26 0.12 120.40 129.05 2fki s VAL 20 Ca 0.02 0.76 -0.24 0.00 -2.93 0.00 0.00 61.98 59.59 2fki s VAL 20 Cb -0.15 -3.77 -0.02 0.00 -1.53 0.00 0.00 36.38 30.91 2fki s VAL 20 CO -0.07 0.15 0.77 -2.28 -3.33 0.00 0.00 175.10 170.34 2fki s HIS 21 N 1.97 3.39 0.00 1.54 5.65 0.12 -4.90 115.29 123.05 2fki s HIS 21 Ca 0.19 1.14 0.00 0.00 0.25 0.00 0.00 55.06 56.64 2fki s HIS 21 Cb -0.15 -2.96 0.00 0.00 -1.18 0.00 0.00 32.58 28.29 2fki s HIS 21 CO 0.09 -0.25 0.00 -1.71 -0.65 0.00 0.00 174.74 172.22 2fki n ASN 22 N 5.32 0.00 0.00 9.88 5.15 -1.26 0.29 115.26 134.64 2fki n ASN 22 Ca 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.01 2fki n ASN 22 Cb 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.74 2fki n ASN 22 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2fki n ASP 23 N 0.00 0.00 -0.34 1.20 2.03 -1.26 -2.78 116.55 115.40 2fki n ASP 23 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 2fki n ASP 23 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 2fki n ASP 23 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 2fki n TRP 24 N 0.00 0.07 -2.47 -0.67 2.14 -1.26 -5.05 117.44 110.20 2fki n TRP 24 Ca 0.00 -0.11 -0.01 0.00 2.07 0.00 0.00 57.50 59.45 2fki n TRP 24 Cb 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 31.31 30.49 2fki n TRP 24 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 2fki n LYS 25 N 0.39 -2.56 -3.95 -2.67 5.02 -1.12 -3.60 118.16 109.67 2fki n LYS 25 Ca 0.05 2.19 -0.31 0.00 -2.02 0.00 0.00 58.31 58.23 2fki n LYS 25 Cb 0.23 -4.49 -0.15 0.00 -0.02 0.00 0.00 35.03 30.60 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 -1.47 2.17 -0.32 7.82 0.00 0.14 -3.10 121.76 127.00 2fki s ALA 26 Ca 0.04 -1.65 -0.26 0.00 0.00 0.00 0.00 51.96 50.09 2fki s ALA 26 Cb -0.01 -1.56 0.01 0.00 0.00 0.00 0.00 23.12 21.56 2fki s ALA 26 CO 0.61 -1.32 0.94 0.99 0.00 0.00 0.00 175.76 176.97 2fki s THR 27 N 1.29 4.63 -0.25 0.00 2.01 -0.24 0.15 115.64 123.23 2fki s THR 27 Ca -0.02 1.42 -0.19 0.00 0.31 0.00 0.00 61.69 63.22 2fki s THR 27 Cb -0.19 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.00 2fki s THR 27 CO -0.08 -0.40 0.55 -1.10 -0.69 0.00 0.00 174.62 172.90 2fki s GLN 28 N 3.35 4.09 -0.48 4.92 -0.21 0.12 -2.32 119.66 129.12 2fki s GLN 28 Ca 0.39 0.40 -0.21 0.00 0.02 0.00 0.00 55.36 55.96 2fki s GLN 28 Cb -0.13 -3.64 0.04 0.00 1.00 0.00 0.00 33.01 30.28 2fki s GLN 28 CO 0.15 -0.35 0.71 0.42 -2.12 0.00 0.00 175.29 174.09 2fki s ILE 29 N 2.31 4.74 0.01 1.08 1.01 -0.84 -1.34 121.20 128.16 2fki s ILE 29 Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 60.65 60.87 2fki s ILE 29 Cb -0.16 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.00 2fki s ILE 29 CO 0.09 -0.77 -0.01 -0.75 0.00 0.00 0.00 174.94 173.50 2fki s LYS 30 N 3.02 0.18 0.00 2.79 2.20 -0.93 -3.75 119.74 123.26 2fki s LYS 30 Ca 0.22 -0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 2fki s LYS 30 Cb -0.15 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.23 2fki s LYS 30 CO 0.17 -0.03 0.00 1.33 -0.36 0.00 0.00 175.35 176.46 2fki n VAL 31 N 2.27 0.00 0.15 4.02 0.24 -1.17 0.23 118.33 124.07 2fki n VAL 31 Ca -0.18 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 61.95 2fki n VAL 31 Cb 0.57 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.85 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 -0.78 -0.34 7.34 4.39 -1.98 -3.41 114.58 119.80 2fki h GLU 32 Ca 0.00 0.05 -0.20 0.00 0.34 0.00 0.00 59.36 59.55 2fki h GLU 32 Cb 0.00 0.18 -0.15 0.00 -0.10 0.00 0.00 28.75 28.68 2fki h GLU 32 CO 0.00 -0.52 -0.50 -3.47 -1.16 0.00 0.00 179.01 173.36 2fki n ASP 33 N -5.50 -3.05 -3.57 1.42 2.03 -1.26 -5.11 116.55 101.50 2fki n ASP 33 Ca -0.09 -3.18 -0.13 0.00 0.52 0.00 0.00 54.79 51.92 2fki n ASP 33 Cb 0.42 1.78 -0.11 0.00 -0.72 0.00 0.00 41.12 42.49 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 0.73 -0.48 -0.43 5.18 1.01 -1.26 -5.12 120.40 120.03 2fki s VAL 34 Ca 0.31 0.13 -0.17 0.00 0.00 0.00 0.00 61.98 62.26 2fki s VAL 34 Cb 0.16 -0.59 0.03 0.00 0.00 0.00 0.00 36.38 35.97 2fki s VAL 34 CO -0.19 0.01 0.41 -0.22 0.00 0.00 0.00 175.10 175.11 2fki s LEU 35 N 2.46 5.04 -0.05 3.92 2.96 -1.26 -3.05 118.68 128.70 2fki s LEU 35 Ca 0.04 -0.84 0.14 0.00 -0.22 0.00 0.00 54.13 53.24 2fki s LEU 35 Cb -0.13 -2.30 -0.21 0.00 0.50 0.00 0.00 46.19 44.05 2fki s LEU 35 CO -0.11 -0.58 0.25 2.22 -1.32 0.00 0.00 176.35 176.80 2fki n PHE 36 N 5.48 0.00 -3.59 5.38 1.16 -1.25 -4.66 117.46 119.99 2fki n PHE 36 Ca -0.09 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.36 2fki n PHE 36 Cb 0.47 -0.41 -0.06 0.00 -1.61 0.00 0.00 39.48 37.86 2fki n PHE 36 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2fki s ALA 37 N -2.82 -1.86 -0.24 1.98 0.00 -1.26 -0.60 121.76 116.96 2fki s ALA 37 Ca -0.06 1.69 -0.21 0.00 0.00 0.00 0.00 51.96 53.39 2fki s ALA 37 Cb 0.08 -0.80 0.06 0.00 0.00 0.00 0.00 23.12 22.47 2fki s ALA 37 CO 0.58 -0.32 0.64 0.00 0.00 0.00 0.00 175.76 176.66 2fki s MET 38 N -0.44 0.73 -0.02 0.00 0.23 -0.99 -1.99 119.30 116.82 2fki s MET 38 Ca -0.03 0.92 -0.19 0.00 -1.03 0.00 0.00 55.69 55.36 2fki s MET 38 Cb -0.03 0.32 -0.05 0.00 -1.53 0.00 0.00 34.83 33.54 2fki s MET 38 CO 0.02 -0.10 0.54 0.54 -2.03 0.00 0.00 175.02 173.99 2fki s VAL 39 N 0.53 4.97 0.02 5.16 0.11 -0.98 -1.99 120.40 128.21 2fki s VAL 39 Ca -0.02 1.12 0.00 0.00 -2.93 0.00 0.00 61.98 60.16 2fki s VAL 39 Cb -0.05 -3.87 -0.02 0.00 -1.53 0.00 0.00 36.38 30.92 2fki s VAL 39 CO -0.02 0.44 -0.03 -0.54 -3.33 0.00 0.00 175.10 171.62 2fki s LYS 40 N -0.26 0.26 -0.41 1.54 1.02 0.80 -1.07 119.74 121.62 2fki s LYS 40 Ca 0.29 -0.50 -0.16 0.00 0.02 0.00 0.00 55.97 55.62 2fki s LYS 40 Cb -0.17 0.07 0.02 0.00 -0.52 0.00 0.00 37.83 37.22 2fki s LYS 40 CO 0.15 -0.04 0.34 -2.00 -0.92 0.00 0.00 175.35 172.88 2fki s GLU 41 N -1.19 3.03 -0.03 1.68 2.12 -1.18 -0.91 118.70 122.22 2fki s GLU 41 Ca -0.13 -0.93 -0.04 0.00 0.36 0.00 0.00 54.97 54.23 2fki s GLU 41 Cb -0.08 -3.97 0.01 0.00 0.26 0.00 0.00 34.13 30.34 2fki s GLU 41 CO -0.01 -0.77 0.10 0.54 -0.54 0.00 0.00 175.26 174.58 2fki s VAL 42 N 1.81 0.02 -1.76 3.70 0.11 -0.82 -4.74 120.40 118.73 2fki s VAL 42 Ca 0.07 -0.19 0.00 0.00 -2.93 0.00 0.00 61.98 58.93 2fki s VAL 42 Cb -0.18 -0.21 0.00 0.00 -1.53 0.00 0.00 36.38 34.46 2fki s VAL 42 CO 0.11 -0.11 0.00 -0.62 -3.33 0.00 0.00 175.10 171.15 2fki n GLU 43 N 2.64 -1.43 -3.32 1.54 1.02 -1.26 -1.00 120.64 118.84 2fki n GLU 43 Ca -0.15 1.01 -0.24 0.00 -0.02 0.00 0.00 57.16 57.76 2fki n GLU 43 Cb 0.58 -5.46 0.02 0.00 -0.02 0.00 0.00 31.44 26.56 2fki n GLU 43 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2fki n ASN 44 N -1.39 -5.09 -3.87 1.62 4.05 -1.26 -4.98 115.26 104.34 2fki n ASN 44 Ca -0.21 -0.41 -0.15 0.00 0.45 0.00 0.00 54.58 54.25 2fki n ASN 44 Cb 0.65 -4.12 -0.15 0.00 1.23 0.00 0.00 39.78 37.39 2fki n ASN 44 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 2fki s ARG 45 N -6.00 0.26 -0.28 1.20 3.52 -0.17 -5.11 118.95 112.38 2fki s ARG 45 Ca 0.41 -0.02 -0.29 0.00 -0.13 0.00 0.00 55.73 55.70 2fki s ARG 45 Cb -0.20 -0.33 -0.03 0.00 -1.56 0.00 0.00 34.95 32.84 2fki s ARG 45 CO 0.51 -0.02 1.81 -2.14 -0.81 0.00 0.00 175.30 174.65 2fki s PRO 46 N 0.40 3.45 -0.06 5.12 0.02 -1.26 -1.94 135.00 140.72 2fki s PRO 46 Ca -0.04 1.59 0.04 0.00 0.02 0.00 0.00 61.00 62.61 2fki s PRO 46 Cb -0.06 -4.18 0.00 0.00 0.02 0.00 0.00 34.50 30.28 2fki s PRO 46 CO -0.01 -1.72 -0.17 0.00 -0.33 0.00 0.00 177.00 174.76 2fki s ALA 47 N 6.57 1.60 -0.09 -1.55 0.00 -0.08 -0.94 121.76 127.27 2fki s ALA 47 Ca 0.81 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 52.11 2fki s ALA 47 Cb -0.25 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 2fki s ALA 47 CO 0.33 0.24 -0.16 0.54 0.00 0.00 0.00 175.76 176.71 2fki s VAL 48 N 0.26 2.83 -0.05 0.00 0.11 -0.17 -0.14 120.40 123.24 2fki s VAL 48 Ca -0.10 -0.77 0.06 0.00 -2.93 0.00 0.00 61.98 58.24 2fki s VAL 48 Cb -0.14 -2.13 -0.02 0.00 -1.53 0.00 0.00 36.38 32.56 2fki s VAL 48 CO 0.04 0.56 -0.23 -0.44 -3.33 0.00 0.00 175.10 171.70 2fki s SER 49 N -0.12 3.27 -0.03 3.54 0.01 -0.84 -0.08 113.70 119.45 2fki s SER 49 Ca -0.02 -0.44 -0.01 0.00 1.31 0.00 0.00 55.95 56.79 2fki s SER 49 Cb -0.14 -0.76 -0.04 0.00 0.21 0.00 0.00 66.02 65.30 2fki s SER 49 CO 0.04 0.28 0.05 -0.76 0.41 0.00 0.00 173.24 173.26 2fki s LEU 50 N -0.34 3.79 0.40 2.44 1.02 0.11 -2.36 118.68 123.74 2fki s LEU 50 Ca 0.02 0.13 -0.27 0.00 0.02 0.00 0.00 54.13 54.03 2fki s LEU 50 Cb -0.12 -2.12 -0.10 0.00 0.02 0.00 0.00 46.19 43.87 2fki s LEU 50 CO 0.02 0.30 1.47 -0.75 0.02 0.00 0.00 176.35 177.41 2fki s LYS 51 N -1.49 3.95 -0.72 1.70 2.36 0.23 -1.02 119.74 124.75 2fki s LYS 51 Ca 0.20 2.53 -0.37 0.00 -2.55 0.00 0.00 55.97 55.78 2fki s LYS 51 Cb -0.12 -2.86 -0.19 0.00 -1.05 0.00 0.00 37.83 33.61 2fki s LYS 51 CO 0.10 -0.64 2.42 2.41 1.55 0.00 0.00 175.35 181.19 2fki n THR 52 N 0.22 0.01 -4.29 3.43 -1.04 -1.22 -4.82 114.28 106.57 2fki n THR 52 Ca 0.02 -0.05 -0.32 0.00 -2.04 0.00 0.00 64.05 61.66 2fki n THR 52 Cb 0.40 -0.67 -0.09 0.00 -1.82 0.00 0.00 70.33 68.16 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 7.73 5.02 0.11 8.00 0.15 -1.26 -5.03 113.70 128.42 2fki s SER 53 Ca 1.26 -0.06 -0.33 0.00 0.70 0.00 0.00 55.95 57.52 2fki s SER 53 Cb -1.29 -1.27 -0.12 0.00 -1.71 0.00 0.00 66.02 61.63 2fki s SER 53 CO 0.55 0.26 1.57 1.55 1.20 0.00 0.00 173.24 178.38 2fki h PRO 54 N 4.24 -0.68 -0.02 5.44 0.13 -1.99 0.10 132.00 139.21 2fki h PRO 54 Ca -0.49 0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 2fki h PRO 54 Cb 1.17 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 2fki h PRO 54 CO 0.57 -0.45 -0.29 0.93 -0.23 0.00 0.00 178.00 178.53 2fki h GLU 55 N -0.70 0.04 -0.34 0.86 5.08 -1.98 0.22 114.58 117.76 2fki h GLU 55 Ca 0.01 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2fki h GLU 55 Cb 0.73 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2fki h GLU 55 CO -0.28 0.33 -0.13 -0.07 -1.00 0.00 0.00 179.01 177.86 2fki h LEU 56 N 0.04 0.70 -0.69 1.33 -0.00 -1.88 -1.21 115.31 113.60 2fki h LEU 56 Ca 0.00 -0.39 -0.14 0.00 -0.00 0.00 0.00 57.88 57.36 2fki h LEU 56 Cb 0.53 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.99 2fki h LEU 56 CO 0.04 0.93 -0.54 0.00 -0.00 0.00 0.00 178.44 178.87 2fki h ALA 57 N 0.79 0.88 -0.62 1.53 0.00 -0.36 -2.73 119.26 118.74 2fki h ALA 57 Ca 0.08 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.49 2fki h ALA 57 Cb 0.65 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2fki h ALA 57 CO 0.04 0.69 0.41 0.93 0.00 0.00 0.00 179.25 181.32 2fki h GLU 58 N 0.24 0.82 -0.90 0.00 3.07 -0.43 -2.48 114.58 114.90 2fki h GLU 58 Ca 0.00 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 2fki h GLU 58 Cb 1.03 -0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 28.71 2fki h GLU 58 CO 0.09 0.55 0.53 1.25 -1.40 0.00 0.00 179.01 180.03 2fki h LEU 59 N 0.84 1.09 -1.86 1.33 5.85 -1.05 -2.30 115.31 119.21 2fki h LEU 59 Ca 0.23 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2fki h LEU 59 Cb -0.09 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.66 2fki h LEU 59 CO -0.05 0.84 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.81 2fki h LEU 60 N 1.24 0.06 -0.34 2.25 3.38 -1.15 0.99 115.31 121.74 2fki h LEU 60 Ca 0.32 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.11 2fki h LEU 60 Cb -0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2fki h LEU 60 CO -0.06 0.09 -0.84 0.03 0.09 0.00 0.00 178.44 177.75 2fki h ARG 61 N 0.07 0.06 0.01 1.13 2.47 -1.08 -3.36 114.38 113.67 2fki h ARG 61 Ca 0.02 -0.07 -0.34 0.00 -1.26 0.00 0.00 59.98 58.33 2fki h ARG 61 Cb 0.07 0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.36 2fki h ARG 61 CO 0.00 0.86 -1.84 1.04 0.56 0.00 0.00 179.97 180.59 2fki n GLN 62 N -3.60 0.59 -3.35 0.04 3.00 -0.97 -4.97 117.38 108.12 2fki n GLN 62 Ca -0.02 0.42 -0.27 0.00 -0.01 0.00 0.00 57.00 57.12 2fki n GLN 62 Cb 0.79 -1.64 -0.03 0.00 0.00 0.00 0.00 30.24 29.36 2fki n GLN 62 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2fki s GLN 63 N -2.44 3.59 0.00 -1.09 -1.52 0.30 -4.98 119.66 113.52 2fki s GLN 63 Ca -0.32 -0.09 0.00 0.00 -1.95 0.00 0.00 55.36 53.00 2fki s GLN 63 Cb 0.09 -2.66 0.00 0.00 -0.22 0.00 0.00 33.01 30.23 2fki s GLN 63 CO 0.57 0.20 0.00 -2.39 -0.25 0.00 0.00 175.29 173.42 2fki n HIS 64 N -1.13 0.00 -0.72 0.91 1.44 -1.26 -4.54 115.22 109.92 2fki n HIS 64 Ca -0.02 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.74 2fki n HIS 64 Cb 0.54 0.08 0.07 0.00 0.12 0.00 0.00 29.99 30.81 2fki n HIS 64 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 2fki n SER 65 N 0.00 1.95 0.14 4.39 3.41 -1.26 -4.84 113.62 117.41 2fki n SER 65 Ca 0.00 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 56.10 2fki n SER 65 Cb 0.31 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2fki n SER 65 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2fki n ASP 66 N -0.92 -0.74 -4.75 4.04 5.68 -1.26 -5.08 116.55 113.52 2fki n ASP 66 Ca 0.08 0.50 -0.41 0.00 -0.50 0.00 0.00 54.79 54.46 2fki n ASP 66 Cb 0.49 0.88 -0.02 0.00 -1.14 0.00 0.00 41.12 41.33 2fki n ASP 66 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2fki s VAL 67 N -1.86 2.63 -0.29 2.12 0.11 -1.26 -4.99 120.40 116.85 2fki s VAL 67 Ca 0.00 0.53 -0.10 0.00 -2.93 0.00 0.00 61.98 59.49 2fki s VAL 67 Cb 0.00 -3.34 -0.03 0.00 -1.53 0.00 0.00 36.38 31.48 2fki s VAL 67 CO 0.00 0.09 0.15 -0.60 -3.33 0.00 0.00 175.10 171.41 2fki s ARG 68 N -0.50 3.60 -0.09 1.54 6.06 -1.26 -4.76 118.95 123.55 2fki s ARG 68 Ca 0.59 -0.54 -0.02 0.00 -2.50 0.00 0.00 55.73 53.26 2fki s ARG 68 Cb -0.42 -3.54 -0.01 0.00 0.06 0.00 0.00 34.95 31.04 2fki s ARG 68 CO 0.44 -0.29 2.37 -2.30 -2.50 0.00 0.00 175.30 173.02 2fki n PRO 69 N 5.00 1.45 0.00 5.12 -0.02 -1.26 -3.46 135.00 141.82 2fki n PRO 69 Ca -0.14 -0.66 0.00 0.00 -2.02 0.00 0.00 63.50 60.68 2fki n PRO 69 Cb 0.51 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 2fki n PRO 69 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2fki n SER 70 N 1.42 -1.55 0.00 2.55 2.88 -1.26 -4.49 113.62 113.18 2fki n SER 70 Ca 0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 2fki n SER 70 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 2fki n SER 70 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2fki n ARG 71 N 0.00 0.00 0.02 -1.46 0.63 -1.26 -4.98 116.66 109.60 2fki n ARG 71 Ca 0.00 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.04 2fki n ARG 71 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 2fki n ARG 71 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 2fki n HIS 72 N -0.63 0.19 0.00 -0.14 1.44 -1.26 -4.60 115.22 110.22 2fki n HIS 72 Ca 0.00 0.06 0.00 0.00 -2.01 0.00 0.00 57.72 55.77 2fki n HIS 72 Cb 0.00 -0.41 0.00 0.00 0.12 0.00 0.00 29.99 29.70 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 -2.02 0.19 -3.60 2.39 4.77 -1.26 -4.97 117.00 112.50 2fki n LEU 73 Ca 0.00 0.57 -0.12 0.00 -0.03 0.00 0.00 56.01 56.43 2fki n LEU 73 Cb 0.46 -0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.37 2fki n LEU 73 CO 0.42 -0.12 0.60 0.21 -1.33 0.00 0.00 177.39 177.17 2fki s ASN 74 N -1.96 -0.56 -0.08 -1.43 3.84 -1.26 -5.08 114.94 108.41 2fki s ASN 74 Ca 0.00 0.94 -0.10 0.00 0.21 0.00 0.00 52.86 53.91 2fki s ASN 74 Cb 0.00 0.90 -0.29 0.00 -0.55 0.00 0.00 41.25 41.32 2fki s ASN 74 CO 0.00 -0.29 0.55 0.50 -2.79 0.00 0.00 177.10 175.07 2fki h LYS 75 N 3.96 0.34 0.00 0.43 3.64 -1.83 -3.41 116.57 119.70 2fki h LYS 75 Ca -0.27 -0.58 0.00 0.00 -1.27 0.00 0.00 60.65 58.53 2fki h LYS 75 Cb 1.16 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 2fki h LYS 75 CO 0.17 1.28 -0.98 0.00 -2.27 0.00 0.00 179.45 177.65 2fki n ALA 76 N -2.92 1.98 0.29 5.00 0.00 -1.26 -4.63 120.51 118.97 2fki n ALA 76 Ca -0.27 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.32 2fki n ALA 76 Cb 1.05 0.20 0.50 0.00 0.00 0.00 0.00 19.45 21.20 2fki n ALA 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2fki h HIS 77 N 0.00 0.00 -4.04 0.00 2.76 -1.97 -3.43 115.15 108.47 2fki h HIS 77 Ca 0.00 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.99 2fki h HIS 77 Cb 0.81 0.00 -0.15 0.00 1.55 0.00 0.00 27.41 29.63 2fki h HIS 77 CO 0.00 0.00 -0.68 -1.58 -1.30 0.00 0.00 177.93 174.37 2fki s TRP 78 N -3.46 0.78 -0.10 5.26 0.52 -1.26 -3.41 118.94 117.25 2fki s TRP 78 Ca 0.04 -1.02 0.02 0.00 0.02 0.00 0.00 56.10 55.15 2fki s TRP 78 Cb 0.08 -0.48 0.01 0.00 -1.15 0.00 0.00 33.47 31.93 2fki s TRP 78 CO 0.57 -0.29 -0.15 -1.12 0.02 0.00 0.00 176.95 175.99 2fki s SER 79 N -3.01 2.38 -0.23 2.95 0.01 -0.19 -4.67 113.70 110.94 2fki s SER 79 Ca 0.13 -0.41 -0.01 0.00 1.31 0.00 0.00 55.95 56.96 2fki s SER 79 Cb 0.07 -1.06 0.02 0.00 0.21 0.00 0.00 66.02 65.26 2fki s SER 79 CO -0.05 0.01 -0.10 -0.89 0.41 0.00 0.00 173.24 172.62 2fki s THR 80 N 0.97 2.66 -0.26 1.44 2.01 -1.22 0.04 115.64 121.28 2fki s THR 80 Ca -0.07 -0.97 -0.08 0.00 0.31 0.00 0.00 61.69 60.87 2fki s THR 80 Cb -0.15 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 2fki s THR 80 CO -0.01 0.31 0.11 -0.69 -0.69 0.00 0.00 174.62 173.65 2fki s VAL 81 N 1.32 4.59 0.02 3.82 1.01 0.89 -4.07 120.40 127.97 2fki s VAL 81 Ca 0.02 -0.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.66 2fki s VAL 81 Cb -0.16 -3.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.99 2fki s VAL 81 CO -0.07 0.28 0.62 -0.31 0.00 0.00 0.00 175.10 175.63 2fki s TYR 82 N 1.65 3.71 -1.35 5.22 1.51 -1.26 -1.00 117.35 125.83 2fki s TYR 82 Ca 0.06 1.26 -0.17 0.00 -1.01 0.00 0.00 57.07 57.21 2fki s TYR 82 Cb -0.16 -2.63 0.05 0.00 -0.11 0.00 0.00 41.96 39.12 2fki s TYR 82 CO 0.06 0.37 1.91 1.28 -1.11 0.00 0.00 175.55 178.06 2fki n LEU 83 N 2.60 5.55 0.00 -1.29 4.77 -0.11 -4.76 117.00 123.75 2fki n LEU 83 Ca -0.07 -3.97 0.00 0.00 -0.03 0.00 0.00 56.01 51.95 2fki n LEU 83 Cb 0.51 -1.71 0.00 0.00 -2.33 0.00 0.00 43.42 39.89 2fki n LEU 83 CO 0.44 0.43 0.00 0.47 -1.33 0.00 0.00 177.39 177.40 2fki n ASP 84 N 7.72 0.00 -2.41 -1.43 8.00 -1.26 -4.84 116.55 122.33 2fki n ASP 84 Ca 0.50 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.98 2fki n ASP 84 Cb 0.44 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.62 2fki n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2fki n GLY 85 N 2.98 1.74 0.00 0.44 0.00 -1.26 -5.13 105.19 103.96 2fki n GLY 85 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.08 0.00 -2.76 1.61 2.88 -1.26 -5.06 113.62 107.95 2fki n SER 86 Ca -0.14 -0.88 -0.01 0.00 -1.33 0.00 0.00 58.87 56.51 2fki n SER 86 Cb 0.85 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.30 2fki n SER 86 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2fki n LEU 87 N 0.00 -7.28 -4.64 2.46 7.99 -1.26 -4.95 117.00 109.32 2fki n LEU 87 Ca 0.00 1.46 -0.32 0.00 -0.01 0.00 0.00 56.01 57.14 2fki n LEU 87 Cb 0.00 -3.14 0.15 0.00 -0.11 0.00 0.00 43.42 40.32 2fki n LEU 87 CO 0.00 -3.17 0.59 -0.81 -1.51 0.00 0.00 177.39 172.49 2fki n PRO 88 N 0.95 -0.21 -0.21 3.23 -0.04 -1.26 -4.71 135.00 132.73 2fki n PRO 88 Ca -0.06 0.01 0.20 0.00 -0.04 0.00 0.00 63.50 63.61 2fki n PRO 88 Cb 0.15 -2.32 0.55 0.00 -0.04 0.00 0.00 33.50 31.84 2fki n PRO 88 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2fki h ASP 89 N -1.50 0.32 -0.39 3.54 5.19 -1.99 -0.12 116.42 121.48 2fki h ASP 89 Ca -0.44 0.03 0.03 0.00 -0.62 0.00 0.00 57.03 56.03 2fki h ASP 89 Cb 1.28 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.73 2fki h ASP 89 CO 0.42 0.13 0.21 0.77 -3.12 0.00 0.00 179.24 177.64 2fki h SER 90 N 0.32 0.31 -0.03 6.45 4.64 -2.01 -1.35 113.55 121.89 2fki h SER 90 Ca 0.44 0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.69 2fki h SER 90 Cb 1.22 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2fki h SER 90 CO -0.14 0.23 -0.24 1.56 -0.87 0.00 0.00 176.83 177.37 2fki h GLN 91 N 0.42 0.43 -0.70 4.77 1.08 -1.36 -2.71 115.11 117.04 2fki h GLN 91 Ca 0.16 -0.16 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 2fki h GLN 91 Cb 0.06 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 2fki h GLN 91 CO -0.10 0.65 0.30 0.82 -0.95 0.00 0.00 178.83 179.54 2fki h ILE 92 N 0.39 1.24 -0.45 2.54 2.04 -0.80 -0.31 117.51 122.15 2fki h ILE 92 Ca 0.06 -0.72 0.03 0.00 1.00 0.00 0.00 64.86 65.23 2fki h ILE 92 Cb 0.63 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 2fki h ILE 92 CO 0.05 0.29 0.24 1.88 0.00 0.00 0.00 178.15 180.61 2fki h TYR 93 N 1.01 0.45 -0.07 1.37 0.05 -0.95 -2.30 116.97 116.53 2fki h TYR 93 Ca 0.24 0.02 0.01 0.00 0.05 0.00 0.00 58.73 59.05 2fki h TYR 93 Cb 0.17 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 2fki h TYR 93 CO 0.01 0.25 -0.00 -0.92 -1.05 0.00 0.00 178.16 176.45 2fki h TYR 94 N 0.49 -0.01 -0.45 4.88 3.20 -1.23 -1.78 116.97 122.07 2fki h TYR 94 Ca 0.19 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.14 2fki h TYR 94 Cb 0.06 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.27 2fki h TYR 94 CO -0.09 -0.01 0.04 -0.07 -1.64 0.00 0.00 178.16 176.39 2fki h LEU 95 N 0.02 -0.10 -0.08 2.82 3.38 -0.75 0.24 115.31 120.84 2fki h LEU 95 Ca 0.03 0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 2fki h LEU 95 Cb 0.04 0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.95 2fki h LEU 95 CO -0.06 -0.02 -0.59 0.58 0.09 0.00 0.00 178.44 178.45 2fki h VAL 96 N 0.16 1.36 -0.07 1.22 2.07 -1.34 -3.05 116.25 116.60 2fki h VAL 96 Ca 0.23 -1.92 -0.22 0.00 0.82 0.00 0.00 66.70 65.61 2fki h VAL 96 Cb 0.32 2.27 0.01 0.00 -1.52 0.00 0.00 31.29 32.36 2fki h VAL 96 CO -0.34 0.58 -0.85 -0.78 0.02 0.00 0.00 177.57 176.20 2fki h ASP 97 N 0.13 0.70 -0.46 0.57 3.58 -1.10 -2.41 116.42 117.44 2fki h ASP 97 Ca -0.05 -0.50 -0.01 0.00 0.42 0.00 0.00 57.03 56.89 2fki h ASP 97 Cb 1.24 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 42.06 2fki h ASP 97 CO 0.12 1.28 0.25 0.00 -2.88 0.00 0.00 179.24 178.01 2fki h ALA 98 N 0.69 0.59 -0.31 -0.78 0.00 -0.61 0.10 119.26 118.93 2fki h ALA 98 Ca -0.06 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2fki h ALA 98 Cb 1.46 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2fki h ALA 98 CO 0.16 0.11 -0.20 0.66 0.00 0.00 0.00 179.25 179.98 2fki h SER 99 N 0.60 0.57 -0.27 0.00 4.64 -1.56 -1.73 113.55 115.80 2fki h SER 99 Ca 0.16 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 2fki h SER 99 Cb 0.06 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 2fki h SER 99 CO -0.03 0.78 0.15 0.22 -0.87 0.00 0.00 176.83 177.08 2fki h TYR 100 N 0.52 0.37 -0.49 4.77 3.20 -0.85 -2.04 116.97 122.44 2fki h TYR 100 Ca 0.08 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.96 2fki h TYR 100 Cb 0.63 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.75 2fki h TYR 100 CO 0.02 0.31 0.33 1.96 -1.64 0.00 0.00 178.16 179.14 2fki h GLN 101 N 0.32 0.61 -0.79 1.82 7.50 -0.56 -0.93 115.11 123.09 2fki h GLN 101 Ca 0.09 -0.04 0.05 0.00 0.50 0.00 0.00 58.65 59.26 2fki h GLN 101 Cb 0.06 -0.14 -0.05 0.00 0.05 0.00 0.00 27.48 27.40 2fki h GLN 101 CO -0.02 0.41 0.52 1.96 -1.50 0.00 0.00 178.83 180.20 2fki h GLN 102 N 0.63 0.88 0.00 1.46 4.20 -0.60 -1.07 115.11 120.61 2fki h GLN 102 Ca 0.19 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.71 2fki h GLN 102 Cb -0.02 -0.20 0.01 0.00 0.30 0.00 0.00 27.48 27.58 2fki h GLN 102 CO -0.04 0.58 -0.54 0.00 -0.67 0.00 0.00 178.83 178.16 2fki h ALA 103 N 1.56 0.06 -0.64 3.87 0.00 -0.95 -3.26 119.26 119.89 2fki h ALA 103 Ca 0.33 -0.55 0.07 0.00 0.00 0.00 0.00 54.91 54.76 2fki h ALA 103 Cb 0.16 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 2fki h ALA 103 CO -0.11 0.30 0.33 0.28 0.00 0.00 0.00 179.25 180.05 2fki h VAL 104 N -0.19 0.91 0.00 0.00 2.07 -0.65 -1.59 116.25 116.79 2fki h VAL 104 Ca -0.07 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2fki h VAL 104 Cb 1.26 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2fki h VAL 104 CO 0.11 0.11 0.00 -0.55 0.02 0.00 0.00 177.57 177.25 2fki h ASN 105 N 0.59 0.00 1.25 0.57 7.08 -1.35 -2.72 115.58 121.00 2fki h ASN 105 Ca 0.30 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.52 2fki h ASN 105 Cb 0.25 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.49 2fki h ASN 105 CO -0.22 0.00 -0.59 -0.07 -2.08 0.00 0.00 177.43 174.47 2fki h LEU 106 N 0.00 0.00 -9.80 6.14 3.38 -1.35 -3.46 115.31 110.22 2fki h LEU 106 Ca 0.00 -0.05 -0.50 0.00 0.09 0.00 0.00 57.88 57.42 2fki h LEU 106 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2fki h LEU 106 CO 0.00 0.03 0.42 -0.76 0.09 0.00 0.00 178.44 178.21 2fki s LEU 107 N -5.25 4.55 1.08 1.67 1.43 -0.85 -5.05 118.68 116.26 2fki s LEU 107 Ca 0.04 2.11 -0.17 0.00 -1.03 0.00 0.00 54.13 55.08 2fki s LEU 107 Cb 0.09 -3.68 0.23 0.00 0.03 0.00 0.00 46.19 42.87 2fki s LEU 107 CO 0.73 -0.05 1.16 -2.84 0.23 0.00 0.00 176.35 175.58 2fki s PRO 108 N -1.46 -0.28 0.15 1.29 0.02 -1.26 -4.70 135.00 128.76 2fki s PRO 108 Ca 0.44 -0.04 -0.22 0.00 0.02 0.00 0.00 61.00 61.20 2fki s PRO 108 Cb -0.28 -1.70 0.03 0.00 0.02 0.00 0.00 34.50 32.56 2fki s PRO 108 CO 0.36 -3.09 1.63 1.49 -0.33 0.00 0.00 177.00 177.06 2fki h GLU 109 N -2.14 -0.23 -0.53 5.54 4.57 -1.98 0.08 114.58 119.90 2fki h GLU 109 Ca -0.47 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 57.79 2fki h GLU 109 Cb 1.29 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.88 2fki h GLU 109 CO 0.42 -0.15 0.23 1.49 -1.18 0.00 0.00 179.01 179.81 2fki h GLU 110 N -0.24 0.43 -0.64 1.92 4.22 -2.00 -0.80 114.58 117.47 2fki h GLU 110 Ca 0.13 -0.03 -0.07 0.00 0.08 0.00 0.00 59.36 59.48 2fki h GLU 110 Cb 0.45 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2fki h GLU 110 CO -0.37 0.28 0.12 0.87 -2.18 0.00 0.00 179.01 177.73 2fki h LYS 111 N 0.44 1.03 0.00 1.92 6.56 -1.73 -2.74 116.57 122.05 2fki h LYS 111 Ca 0.25 -0.25 -0.08 0.00 -1.06 0.00 0.00 60.65 59.50 2fki h LYS 111 Cb 0.22 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.74 2fki h LYS 111 CO -0.21 0.93 -0.38 0.00 -2.06 0.00 0.00 179.45 177.73 2fki h ARG 112 N 0.97 0.00 -0.66 3.15 3.08 -0.24 -2.80 114.38 117.88 2fki h ARG 112 Ca 0.20 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 2fki h ARG 112 Cb 0.39 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 2fki h ARG 112 CO 0.01 0.38 0.28 0.87 -1.07 0.00 0.00 179.97 180.44 2fki h LYS 113 N 0.00 0.96 -0.81 0.04 1.79 -0.85 -2.00 116.57 115.69 2fki h LYS 113 Ca -0.00 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.31 2fki h LYS 113 Cb 0.83 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 31.28 2fki h LYS 113 CO 0.05 0.76 0.45 -0.07 -1.08 0.00 0.00 179.45 179.56 2fki h LEU 114 N 0.95 1.00 -1.65 2.94 3.38 -1.49 -0.83 115.31 119.60 2fki h LEU 114 Ca 0.23 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2fki h LEU 114 Cb 0.15 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2fki h LEU 114 CO -0.02 0.81 -0.20 -0.07 0.09 0.00 0.00 178.44 179.04 2fki h LEU 115 N 1.12 0.00 0.14 1.67 3.38 -1.39 -1.51 115.31 118.73 2fki h LEU 115 Ca 0.28 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.97 2fki h LEU 115 Cb 0.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.79 2fki h LEU 115 CO -0.05 0.20 -1.29 0.58 0.09 0.00 0.00 178.44 177.97 2fki h VAL 116 N 0.00 1.43 -0.22 1.22 2.07 -0.67 -3.35 116.25 116.74 2fki h VAL 116 Ca -0.00 -2.92 -0.20 0.00 0.82 0.00 0.00 66.70 64.41 2fki h VAL 116 Cb 0.43 2.94 0.01 0.00 -1.52 0.00 0.00 31.29 33.14 2fki h VAL 116 CO 0.03 0.86 -0.63 1.56 0.02 0.00 0.00 177.57 179.41 2fki h GLN 117 N 0.11 0.81 0.00 1.57 1.08 -0.75 -3.52 115.11 114.42 2fki h GLN 117 Ca -0.17 -0.58 0.00 0.00 -1.45 0.00 0.00 58.65 56.46 2fki h GLN 117 Cb 2.00 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 29.53 2fki h GLN 117 CO 0.22 1.20 0.00 1.28 -0.95 0.00 0.00 178.83 180.58