#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fki n THR 2 N 0.00 0.00 0.24 1.12 -2.24 -1.26 -5.01 114.28 107.13 2fki n THR 2 Ca 0.00 -1.78 0.11 0.00 -2.27 0.00 0.00 64.05 60.11 2fki n THR 2 Cb 0.00 0.04 0.58 0.00 -2.10 0.00 0.00 70.33 68.86 2fki n THR 2 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2fki h ILE 3 N 0.82 0.53 -0.59 2.28 1.08 -1.99 -3.00 117.51 116.64 2fki h ILE 3 Ca -0.30 -0.86 0.06 0.00 -0.39 0.00 0.00 64.86 63.38 2fki h ILE 3 Cb 1.01 1.59 -0.04 0.00 -3.07 0.00 0.00 36.82 36.31 2fki h ILE 3 CO 0.47 0.17 0.39 0.28 -0.69 0.00 0.00 178.15 178.78 2fki h SER 4 N 0.00 0.49 0.17 1.72 0.02 -1.99 0.42 113.55 114.37 2fki h SER 4 Ca -0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 2fki h SER 4 Cb 0.57 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2fki h SER 4 CO 0.02 0.32 -0.80 -0.33 -1.14 0.00 0.00 176.83 174.90 2fki h GLU 5 N 0.55 0.51 -0.03 3.45 3.07 -1.94 -3.21 114.58 116.99 2fki h GLU 5 Ca 0.26 -0.45 -0.15 0.00 -0.50 0.00 0.00 59.36 58.52 2fki h GLU 5 Cb 0.31 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 2fki h GLU 5 CO -0.08 1.08 -0.67 -0.07 -1.40 0.00 0.00 179.01 177.87 2fki h LEU 6 N 0.33 0.17 -0.59 1.33 -0.00 -1.08 -3.10 115.31 112.38 2fki h LEU 6 Ca -0.05 -0.11 0.07 0.00 -0.00 0.00 0.00 57.88 57.80 2fki h LEU 6 Cb 1.41 -0.05 -0.06 0.00 -0.00 0.00 0.00 40.66 41.96 2fki h LEU 6 CO 0.15 0.79 0.26 -0.07 -0.00 0.00 0.00 178.44 179.56 2fki h LEU 7 N 0.10 0.32 -0.74 1.67 3.38 -0.26 0.22 115.31 119.99 2fki h LEU 7 Ca -0.01 0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 2fki h LEU 7 Cb 1.20 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2fki h LEU 7 CO 0.10 0.20 -0.45 -0.61 0.09 0.00 0.00 178.44 177.78 2fki h GLN 8 N 0.48 0.41 -0.07 1.13 4.15 -1.62 -2.78 115.11 116.81 2fki h GLN 8 Ca 0.28 -0.22 -0.11 0.00 0.77 0.00 0.00 58.65 59.37 2fki h GLN 8 Cb 0.28 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 2fki h GLN 8 CO -0.24 0.78 -0.46 -0.92 -1.93 0.00 0.00 178.83 176.06 2fki h TYR 9 N 0.34 0.21 0.00 3.99 3.20 -1.21 -1.68 116.97 121.82 2fki h TYR 9 Ca 0.02 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2fki h TYR 9 Cb 0.92 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.14 2fki h TYR 9 CO 0.03 0.61 0.00 0.00 -1.64 0.00 0.00 178.16 177.15 2fki n MET 11 N -2.93 0.10 0.00 0.00 2.81 -0.64 -1.87 117.12 114.58 2fki n MET 11 Ca -0.00 0.11 0.13 0.00 -1.81 0.00 0.00 57.70 56.12 2fki n MET 11 Cb 0.22 -1.62 0.31 0.00 -0.71 0.00 0.00 33.22 31.41 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 -1.61 2.85 -2.78 3.04 0.00 -0.27 -4.74 120.51 116.99 2fki n ALA 12 Ca 0.06 -0.52 -0.44 0.00 0.00 0.00 0.00 53.44 52.54 2fki n ALA 12 Cb 0.35 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.21 3.01 -0.07 0.00 -0.14 -0.78 -5.03 119.74 114.51 2fki s LYS 13 Ca 0.29 -1.18 -0.31 0.00 -1.36 0.00 0.00 55.97 53.40 2fki s LYS 13 Cb 0.20 -4.10 -0.09 0.00 -1.68 0.00 0.00 37.83 32.16 2fki s LYS 13 CO 0.42 -1.03 2.01 -0.35 -0.76 0.00 0.00 175.35 175.64 2fki n PRO 14 N 5.42 2.38 0.00 -1.68 -0.04 -1.26 -2.30 135.00 137.52 2fki n PRO 14 Ca -0.11 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 2fki n PRO 14 Cb 0.45 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 30.99 2fki n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fki n GLY 15 N 4.86 2.21 3.65 0.55 0.00 -1.26 -4.90 105.19 110.30 2fki n GLY 15 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 3.66 0.15 4.61 0.00 -0.97 -4.04 121.76 123.10 2fki s ALA 16 Ca 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 51.96 52.03 2fki s ALA 16 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2fki s ALA 16 CO 0.00 -0.96 -0.20 -2.00 0.00 0.00 0.00 175.76 172.60 2fki s GLU 17 N 2.95 1.69 -0.07 0.00 -6.30 0.13 -4.76 118.70 112.33 2fki s GLU 17 Ca 0.38 -1.32 0.04 0.00 -2.50 0.00 0.00 54.97 51.57 2fki s GLU 17 Cb -0.15 -2.01 -0.00 0.00 0.00 0.00 0.00 34.13 31.97 2fki s GLU 17 CO 0.07 0.44 -0.21 -0.65 0.02 0.00 0.00 175.26 174.93 2fki s GLN 18 N -2.40 2.50 -0.05 4.30 -0.21 -1.26 -1.52 119.66 121.02 2fki s GLN 18 Ca 0.19 -0.77 -0.02 0.00 0.02 0.00 0.00 55.36 54.78 2fki s GLN 18 Cb -0.09 -2.00 0.04 0.00 1.00 0.00 0.00 33.01 31.95 2fki s GLN 18 CO 0.10 0.22 0.10 -1.12 -2.12 0.00 0.00 175.29 172.48 2fki s SER 19 N 0.21 0.10 -0.11 5.90 0.01 -0.80 -4.99 113.70 114.02 2fki s SER 19 Ca -0.12 0.21 -0.18 0.00 1.31 0.00 0.00 55.95 57.17 2fki s SER 19 Cb -0.15 0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 2fki s SER 19 CO 0.06 -0.16 0.48 0.54 0.41 0.00 0.00 173.24 174.57 2fki s VAL 20 N 1.31 5.18 0.31 3.43 0.11 -1.26 -0.72 120.40 128.75 2fki s VAL 20 Ca -0.07 0.95 0.10 0.00 -2.93 0.00 0.00 61.98 60.03 2fki s VAL 20 Cb -0.12 -3.82 -0.05 0.00 -1.53 0.00 0.00 36.38 30.86 2fki s VAL 20 CO -0.05 0.33 -0.04 -2.28 -3.33 0.00 0.00 175.10 169.74 2fki s HIS 21 N 0.56 2.53 0.58 1.54 2.46 -0.73 -4.98 115.29 117.26 2fki s HIS 21 Ca 0.26 -0.35 0.28 0.00 0.47 0.00 0.00 55.06 55.72 2fki s HIS 21 Cb -0.15 -1.30 1.69 0.00 -0.13 0.00 0.00 32.58 32.69 2fki s HIS 21 CO 0.10 0.57 2.16 -2.95 -2.47 0.00 0.00 174.74 172.16 2fki h ASN 22 N 1.93 0.00 -1.91 9.88 -1.07 -1.96 -3.08 115.58 119.37 2fki h ASN 22 Ca -0.43 0.00 -0.49 0.00 0.07 0.00 0.00 56.30 55.45 2fki h ASN 22 Cb 1.25 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.48 2fki h ASN 22 CO 0.64 0.00 1.44 -1.81 0.07 0.00 0.00 177.43 177.76 2fki s ASP 23 N -6.01 5.06 0.00 6.14 1.01 -1.26 -3.09 116.67 118.51 2fki s ASP 23 Ca -0.05 0.63 0.00 0.00 0.71 0.00 0.00 52.55 53.84 2fki s ASP 23 Cb 0.15 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.56 2fki s ASP 23 CO 0.56 -2.49 0.00 0.79 0.21 0.00 0.00 175.17 174.24 2fki n TRP 24 N 13.55 0.00 -2.57 4.23 7.02 -1.26 -1.71 117.44 136.70 2fki n TRP 24 Ca 0.25 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.54 2fki n TRP 24 Cb 0.53 -1.48 -0.00 0.00 -2.42 0.00 0.00 31.31 27.93 2fki n TRP 24 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2fki n LYS 25 N -0.23 -2.48 -2.88 -0.99 5.02 -1.17 -4.73 118.16 110.70 2fki n LYS 25 Ca 0.00 0.89 -0.40 0.00 -2.02 0.00 0.00 58.31 56.78 2fki n LYS 25 Cb 0.33 -5.59 -0.06 0.00 -0.02 0.00 0.00 35.03 29.69 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 -2.98 3.39 -0.29 7.82 0.00 -0.69 -4.77 121.76 124.23 2fki s ALA 26 Ca 0.08 0.47 -0.12 0.00 0.00 0.00 0.00 51.96 52.39 2fki s ALA 26 Cb -0.03 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 2fki s ALA 26 CO 0.09 0.24 0.21 0.99 0.00 0.00 0.00 175.76 177.29 2fki s THR 27 N -1.08 5.30 -0.10 0.00 2.01 -0.87 -1.77 115.64 119.13 2fki s THR 27 Ca 0.38 0.09 -0.12 0.00 0.31 0.00 0.00 61.69 62.35 2fki s THR 27 Cb -0.24 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 2fki s THR 27 CO 0.29 0.18 0.29 -1.10 -0.69 0.00 0.00 174.62 173.59 2fki s GLN 28 N 1.76 3.94 -0.30 4.92 1.11 0.10 -1.09 119.66 130.10 2fki s GLN 28 Ca 0.07 0.14 -0.06 0.00 0.01 0.00 0.00 55.36 55.51 2fki s GLN 28 Cb -0.16 -3.30 0.02 0.00 -1.01 0.00 0.00 33.01 28.55 2fki s GLN 28 CO 0.11 0.52 0.08 0.42 0.01 0.00 0.00 175.29 176.42 2fki s ILE 29 N -0.40 3.87 0.19 1.08 1.01 0.58 -1.90 121.20 125.63 2fki s ILE 29 Ca 0.18 -0.80 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 2fki s ILE 29 Cb -0.14 -3.03 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 2fki s ILE 29 CO 0.07 0.03 0.16 -1.59 0.00 0.00 0.00 174.94 173.61 2fki s LYS 30 N 1.47 1.17 0.00 2.79 0.00 -0.57 -2.28 119.74 122.32 2fki s LYS 30 Ca 0.02 -1.51 0.00 0.00 0.00 0.00 0.00 55.97 54.48 2fki s LYS 30 Cb -0.18 0.29 0.00 0.00 0.00 0.00 0.00 37.83 37.95 2fki s LYS 30 CO 0.02 -0.39 0.00 0.28 0.00 0.00 0.00 175.35 175.26 2fki n VAL 31 N -0.23 0.00 0.30 1.79 0.31 -0.23 0.17 118.33 120.43 2fki n VAL 31 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 2fki n VAL 31 Cb 0.65 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.52 2fki n VAL 31 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2fki h GLU 32 N 0.00 -0.76 0.00 5.55 4.11 -1.99 -3.41 114.58 118.08 2fki h GLU 32 Ca 0.00 0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.48 2fki h GLU 32 Cb 0.00 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2fki h GLU 32 CO 0.00 -0.51 -0.43 -3.47 0.07 0.00 0.00 179.01 174.68 2fki n ASP 33 N -4.27 0.00 -4.34 3.06 2.03 -1.26 -5.02 116.55 106.74 2fki n ASP 33 Ca -0.10 -1.85 -0.45 0.00 0.52 0.00 0.00 54.79 52.91 2fki n ASP 33 Cb 0.32 -0.17 -0.05 0.00 -0.72 0.00 0.00 41.12 40.50 2fki n ASP 33 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2fki s VAL 34 N 0.00 5.12 -0.17 5.18 1.01 -1.26 -5.04 120.40 125.24 2fki s VAL 34 Ca 0.00 -1.28 -0.23 0.00 0.00 0.00 0.00 61.98 60.47 2fki s VAL 34 Cb 0.00 -4.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 2fki s VAL 34 CO 0.00 -0.88 0.74 -0.22 0.00 0.00 0.00 175.10 174.74 2fki s LEU 35 N 1.89 4.18 0.00 3.92 0.20 -1.26 -1.07 118.68 126.54 2fki s LEU 35 Ca 0.06 1.05 0.00 0.00 0.69 0.00 0.00 54.13 55.92 2fki s LEU 35 Cb -0.27 -3.08 0.00 0.00 -0.43 0.00 0.00 46.19 42.41 2fki s LEU 35 CO 0.05 -0.31 0.00 2.22 -0.29 0.00 0.00 176.35 178.02 2fki n PHE 36 N 4.95 0.00 -4.00 5.38 -1.74 -1.18 -4.91 117.46 115.96 2fki n PHE 36 Ca 0.01 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.81 2fki n PHE 36 Cb 0.49 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.39 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 -1.37 0.23 -0.17 1.98 0.00 -0.96 -2.44 121.76 119.02 2fki s ALA 37 Ca 0.00 -0.67 -0.18 0.00 0.00 0.00 0.00 51.96 51.11 2fki s ALA 37 Cb 0.00 0.14 0.05 0.00 0.00 0.00 0.00 23.12 23.31 2fki s ALA 37 CO 0.00 -0.16 0.50 0.00 0.00 0.00 0.00 175.76 176.10 2fki s MET 38 N -1.69 0.60 -0.18 0.00 0.23 -1.03 -0.31 119.30 116.92 2fki s MET 38 Ca -0.13 0.64 -0.02 0.00 -1.03 0.00 0.00 55.69 55.14 2fki s MET 38 Cb -0.08 0.29 -0.01 0.00 -1.53 0.00 0.00 34.83 33.50 2fki s MET 38 CO -0.02 -0.08 -0.08 0.54 -2.03 0.00 0.00 175.02 173.35 2fki s VAL 39 N 0.14 3.27 -0.03 5.16 0.11 -0.25 -1.32 120.40 127.47 2fki s VAL 39 Ca -0.01 -0.55 0.03 0.00 -2.93 0.00 0.00 61.98 58.52 2fki s VAL 39 Cb -0.03 -2.44 0.00 0.00 -1.53 0.00 0.00 36.38 32.38 2fki s VAL 39 CO 0.01 0.47 -0.12 -1.59 -3.33 0.00 0.00 175.10 170.54 2fki s LYS 40 N 1.00 1.29 -0.19 1.54 -2.85 0.22 -2.06 119.74 118.69 2fki s LYS 40 Ca -0.00 -0.42 -0.10 0.00 -1.00 0.00 0.00 55.97 54.45 2fki s LYS 40 Cb -0.15 -1.16 -0.05 0.00 -2.06 0.00 0.00 37.83 34.42 2fki s LYS 40 CO -0.00 0.15 0.14 -2.00 0.10 0.00 0.00 175.35 173.73 2fki s GLU 41 N 0.17 4.15 -0.10 1.78 2.12 -1.26 -0.40 118.70 125.15 2fki s GLU 41 Ca -0.04 -0.21 -0.13 0.00 0.36 0.00 0.00 54.97 54.95 2fki s GLU 41 Cb -0.10 -3.41 0.03 0.00 0.26 0.00 0.00 34.13 30.92 2fki s GLU 41 CO 0.01 0.33 0.34 0.54 -0.54 0.00 0.00 175.26 175.94 2fki s VAL 42 N 0.28 0.02 -1.68 3.70 0.11 -0.72 -4.83 120.40 117.27 2fki s VAL 42 Ca 0.09 -0.14 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 2fki s VAL 42 Cb -0.11 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.20 2fki s VAL 42 CO -0.01 -0.08 0.00 1.21 -3.33 0.00 0.00 175.10 172.89 2fki n GLU 43 N 2.38 -1.17 -1.39 1.54 2.13 -1.26 -0.98 120.64 121.89 2fki n GLU 43 Ca -0.16 1.05 -0.14 0.00 0.66 0.00 0.00 57.16 58.58 2fki n GLU 43 Cb 0.57 -5.26 -0.06 0.00 0.27 0.00 0.00 31.44 26.97 2fki n GLU 43 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2fki n ASN 44 N -0.68 -4.93 -4.44 4.31 5.03 -1.26 -5.00 115.26 108.29 2fki n ASN 44 Ca -0.16 0.34 -0.33 0.00 0.87 0.00 0.00 54.58 55.30 2fki n ASN 44 Cb 0.54 -3.63 -0.13 0.00 -1.02 0.00 0.00 39.78 35.54 2fki n ASN 44 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2fki s ARG 45 N -3.08 3.13 0.03 3.52 3.00 -0.15 -5.10 118.95 120.30 2fki s ARG 45 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 55.73 54.78 2fki s ARG 45 Cb 0.00 -2.60 -0.04 0.00 0.00 0.00 0.00 34.95 32.30 2fki s ARG 45 CO 0.00 0.37 1.10 -2.14 0.00 0.00 0.00 175.30 174.63 2fki s PRO 46 N -0.06 4.49 0.01 3.54 0.02 -1.26 -1.75 135.00 139.99 2fki s PRO 46 Ca -0.02 1.61 0.08 0.00 0.02 0.00 0.00 61.00 62.68 2fki s PRO 46 Cb -0.14 -3.41 -0.02 0.00 0.02 0.00 0.00 34.50 30.95 2fki s PRO 46 CO 0.04 -0.17 -0.23 0.00 -0.33 0.00 0.00 177.00 176.31 2fki s ALA 47 N 1.08 1.92 -0.08 -1.55 0.00 0.46 -2.67 121.76 120.92 2fki s ALA 47 Ca 0.55 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.49 2fki s ALA 47 Cb -0.25 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 2fki s ALA 47 CO 0.28 0.46 -0.21 0.54 0.00 0.00 0.00 175.76 176.83 2fki s VAL 48 N -0.67 2.39 -0.14 0.00 0.11 0.30 -0.61 120.40 121.78 2fki s VAL 48 Ca 0.09 -0.93 -0.02 0.00 -2.93 0.00 0.00 61.98 58.19 2fki s VAL 48 Cb -0.09 -1.92 -0.02 0.00 -1.53 0.00 0.00 36.38 32.82 2fki s VAL 48 CO 0.01 0.56 -0.08 -0.55 -3.33 0.00 0.00 175.10 171.71 2fki s SER 49 N -0.01 4.45 -0.48 3.54 0.15 -0.44 0.08 113.70 120.99 2fki s SER 49 Ca -0.07 -0.21 0.03 0.00 0.70 0.00 0.00 55.95 56.41 2fki s SER 49 Cb -0.15 -1.65 0.52 0.00 -1.71 0.00 0.00 66.02 63.03 2fki s SER 49 CO 0.05 0.18 1.78 0.18 1.20 0.00 0.00 173.24 176.63 2fki n LEU 50 N 3.42 6.36 -3.71 3.45 4.32 -1.17 -2.46 117.00 127.21 2fki n LEU 50 Ca -0.18 -4.07 -0.24 0.00 -0.02 0.00 0.00 56.01 51.50 2fki n LEU 50 Cb 0.53 -0.78 0.03 0.00 -1.62 0.00 0.00 43.42 41.57 2fki n LEU 50 CO 0.31 1.41 -0.09 1.17 -1.22 0.00 0.00 177.39 178.97 2fki n LYS 51 N -1.00 -3.63 0.00 3.23 0.00 -1.02 -3.02 118.16 112.73 2fki n LYS 51 Ca 0.54 0.56 0.00 0.00 0.00 0.00 0.00 58.31 59.41 2fki n LYS 51 Cb 1.06 -4.88 0.00 0.00 0.00 0.00 0.00 35.03 31.21 2fki n LYS 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2fki n THR 52 N -4.20 0.00 -1.91 3.15 -1.04 -1.26 -4.85 114.28 104.17 2fki n THR 52 Ca -0.24 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 2fki n THR 52 Cb 0.66 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.17 2fki n THR 52 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2fki n SER 53 N 2.86 -7.79 0.33 8.00 2.88 -1.17 -4.10 113.62 114.64 2fki n SER 53 Ca 0.00 1.29 0.22 0.00 -1.33 0.00 0.00 58.87 59.05 2fki n SER 53 Cb 0.00 -4.30 1.19 0.00 -0.75 0.00 0.00 64.21 60.35 2fki n SER 53 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2fki h PRO 54 N 3.41 0.00 0.02 -1.46 0.11 -1.92 -0.88 132.00 131.29 2fki h PRO 54 Ca 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 2fki h PRO 54 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.12 2fki h PRO 54 CO 0.00 0.00 -0.33 0.93 -0.21 0.00 0.00 178.00 178.39 2fki h GLU 55 N 0.00 0.18 -0.14 1.05 5.08 -2.00 -3.22 114.58 115.53 2fki h GLU 55 Ca 0.00 -0.23 -0.16 0.00 -1.00 0.00 0.00 59.36 57.97 2fki h GLU 55 Cb 0.01 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2fki h GLU 55 CO 0.00 1.00 -0.58 -0.07 -1.00 0.00 0.00 179.01 178.36 2fki h LEU 56 N -0.53 0.51 -0.88 1.33 -0.00 -1.58 -3.01 115.31 111.14 2fki h LEU 56 Ca -0.05 -0.28 0.03 0.00 -0.00 0.00 0.00 57.88 57.58 2fki h LEU 56 Cb 1.14 -0.15 -0.05 0.00 -0.00 0.00 0.00 40.66 41.60 2fki h LEU 56 CO 0.06 0.98 0.57 0.00 -0.00 0.00 0.00 178.44 180.05 2fki h ALA 57 N 1.03 1.17 0.07 1.53 0.00 -1.31 -0.97 119.26 120.78 2fki h ALA 57 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2fki h ALA 57 Cb 1.12 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2fki h ALA 57 CO 0.10 0.42 -0.04 0.93 0.00 0.00 0.00 179.25 180.67 2fki h GLU 58 N 1.11 -0.10 -0.73 0.00 4.39 -1.55 -1.78 114.58 115.92 2fki h GLU 58 Ca 0.35 0.01 0.12 0.00 0.34 0.00 0.00 59.36 60.18 2fki h GLU 58 Cb 0.01 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.59 2fki h GLU 58 CO -0.12 0.11 0.32 1.25 -1.16 0.00 0.00 179.01 179.41 2fki h LEU 59 N -0.29 0.36 -0.85 1.33 5.85 -1.34 0.42 115.31 120.79 2fki h LEU 59 Ca -0.01 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 2fki h LEU 59 Cb 0.25 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2fki h LEU 59 CO 0.02 0.18 0.00 0.25 -0.34 0.00 0.00 178.44 178.54 2fki h LEU 60 N 0.51 0.83 -0.06 2.25 5.85 -1.05 -1.38 115.31 122.26 2fki h LEU 60 Ca 0.38 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2fki h LEU 60 Cb 0.51 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 2fki h LEU 60 CO -0.34 0.89 0.00 0.03 -0.34 0.00 0.00 178.44 178.68 2fki h ARG 61 N 0.80 0.10 0.43 1.25 2.47 -0.31 -3.20 114.38 115.91 2fki h ARG 61 Ca 0.15 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.82 2fki h ARG 61 Cb 0.47 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 2fki h ARG 61 CO 0.02 0.37 -0.21 1.96 0.56 0.00 0.00 179.97 182.68 2fki h GLN 62 N -0.19 -0.56 -3.75 0.04 7.50 -0.81 -3.41 115.11 113.93 2fki h GLN 62 Ca 0.02 0.04 -0.60 0.00 0.50 0.00 0.00 58.65 58.60 2fki h GLN 62 Cb 0.33 0.13 -0.40 0.00 0.05 0.00 0.00 27.48 27.59 2fki h GLN 62 CO 0.00 -0.37 -0.75 -0.65 -1.50 0.00 0.00 178.83 175.56 2fki s GLN 63 N -4.05 0.92 -0.88 1.46 -1.52 -0.54 -5.01 119.66 110.05 2fki s GLN 63 Ca -0.08 -1.33 0.00 0.00 -1.95 0.00 0.00 55.36 52.00 2fki s GLN 63 Cb 0.01 -2.28 0.33 0.00 -0.22 0.00 0.00 33.01 30.85 2fki s GLN 63 CO 0.25 -0.99 1.63 -2.39 -0.25 0.00 0.00 175.29 173.55 2fki n HIS 64 N 4.61 3.11 -4.26 0.91 1.44 -1.21 -4.57 115.22 115.25 2fki n HIS 64 Ca 0.00 -2.86 -0.21 0.00 -2.01 0.00 0.00 57.72 52.64 2fki n HIS 64 Cb 0.41 -1.00 -0.12 0.00 0.12 0.00 0.00 29.99 29.40 2fki n HIS 64 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2fki s SER 65 N -1.87 2.01 0.00 4.39 0.01 -1.26 -4.79 113.70 112.19 2fki s SER 65 Ca 0.43 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2fki s SER 65 Cb 0.25 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.39 2fki s SER 65 CO -0.17 -0.00 0.00 -0.67 0.41 0.00 0.00 173.24 172.80 2fki n ASP 66 N 1.32 0.00 -4.77 2.44 2.03 -1.26 -4.89 116.55 111.42 2fki n ASP 66 Ca -0.20 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.73 2fki n ASP 66 Cb 0.54 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.89 2fki n ASP 66 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2fki s VAL 67 N 0.00 3.89 -0.38 5.18 0.11 -1.26 -4.97 120.40 122.96 2fki s VAL 67 Ca 0.00 1.69 -0.04 0.00 -2.93 0.00 0.00 61.98 60.70 2fki s VAL 67 Cb 0.00 -3.99 0.08 0.00 -1.53 0.00 0.00 36.38 30.94 2fki s VAL 67 CO 0.00 0.25 0.17 -0.13 -3.33 0.00 0.00 175.10 172.05 2fki s ARG 68 N -1.81 2.29 -0.96 1.54 0.52 -1.26 -4.97 118.95 114.30 2fki s ARG 68 Ca 0.48 -1.57 -0.23 0.00 -0.52 0.00 0.00 55.73 53.89 2fki s ARG 68 Cb -0.24 -3.54 0.06 0.00 0.52 0.00 0.00 34.95 31.74 2fki s ARG 68 CO 0.31 -0.92 1.38 -1.25 0.02 0.00 0.00 175.30 174.84 2fki s PRO 69 N 1.26 3.52 -0.28 3.54 0.04 -1.26 -4.52 135.00 137.29 2fki s PRO 69 Ca 0.03 -1.05 0.01 0.00 0.04 0.00 0.00 61.00 60.04 2fki s PRO 69 Cb -0.22 -5.13 0.06 0.00 0.04 0.00 0.00 34.50 29.25 2fki s PRO 69 CO -0.01 -2.15 -0.05 0.45 0.04 0.00 0.00 177.00 175.27 2fki s SER 70 N 4.65 4.65 -0.26 6.66 0.15 -1.26 -5.03 113.70 123.27 2fki s SER 70 Ca 0.43 -1.43 -0.02 0.00 0.70 0.00 0.00 55.95 55.63 2fki s SER 70 Cb -0.02 -1.62 0.13 0.00 -1.71 0.00 0.00 66.02 62.80 2fki s SER 70 CO -0.06 -0.24 0.31 -0.60 1.20 0.00 0.00 173.24 173.85 2fki s ARG 71 N 1.14 0.31 0.25 5.44 6.06 -1.26 -4.67 118.95 126.22 2fki s ARG 71 Ca -0.06 0.13 0.09 0.00 -2.50 0.00 0.00 55.73 53.40 2fki s ARG 71 Cb -0.20 -0.71 0.29 0.00 0.06 0.00 0.00 34.95 34.39 2fki s ARG 71 CO -0.04 -0.85 1.57 0.45 -2.50 0.00 0.00 175.30 173.94 2fki h HIS 72 N 8.24 0.05 0.00 5.12 3.86 -1.99 -3.02 115.15 127.41 2fki h HIS 72 Ca -0.15 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 2fki h HIS 72 Cb 1.12 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.58 2fki h HIS 72 CO 0.21 0.68 0.00 1.28 0.86 0.00 0.00 177.93 180.95 2fki n LEU 73 N -3.77 0.00 -3.38 2.43 4.77 -1.26 -4.75 117.00 111.04 2fki n LEU 73 Ca -0.01 0.92 -0.09 0.00 -0.03 0.00 0.00 56.01 56.80 2fki n LEU 73 Cb 0.65 -0.42 -0.08 0.00 -2.33 0.00 0.00 43.42 41.24 2fki n LEU 73 CO 0.43 -0.42 -0.04 0.21 -1.33 0.00 0.00 177.39 176.24 2fki s ASN 74 N -2.15 0.12 0.35 -1.43 2.47 -1.25 -5.04 114.94 108.01 2fki s ASN 74 Ca 0.00 0.34 0.03 0.00 0.42 0.00 0.00 52.86 53.65 2fki s ASN 74 Cb 0.00 1.18 0.63 0.00 -1.45 0.00 0.00 41.25 41.61 2fki s ASN 74 CO 0.00 -0.29 1.97 0.50 -3.72 0.00 0.00 177.10 175.56 2fki h LYS 75 N 8.18 0.75 -0.80 0.43 3.11 -1.82 -2.19 116.57 124.22 2fki h LYS 75 Ca -0.19 -0.07 -0.08 0.00 -2.81 0.00 0.00 60.65 57.49 2fki h LYS 75 Cb 1.15 -0.15 -0.05 0.00 -1.00 0.00 0.00 32.23 32.18 2fki h LYS 75 CO 0.26 0.55 0.10 0.00 -2.81 0.00 0.00 179.45 177.55 2fki n ALA 76 N -2.45 3.65 0.06 5.00 0.00 -1.26 -4.26 120.51 121.25 2fki n ALA 76 Ca 0.05 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.13 2fki n ALA 76 Cb 0.10 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2fki n ALA 76 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2fki n HIS 77 N 0.16 -0.34 -3.83 0.00 -0.00 -0.84 -5.08 115.22 105.28 2fki n HIS 77 Ca 0.23 0.06 -0.28 0.00 -0.00 0.00 0.00 57.72 57.73 2fki n HIS 77 Cb 0.95 0.08 -0.03 0.00 -0.00 0.00 0.00 29.99 30.98 2fki n HIS 77 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2fki s TRP 78 N -1.99 3.49 -0.10 1.57 0.52 -1.10 -4.45 118.94 116.88 2fki s TRP 78 Ca 0.00 0.25 0.02 0.00 0.02 0.00 0.00 56.10 56.39 2fki s TRP 78 Cb 0.00 -1.77 0.01 0.00 -1.15 0.00 0.00 33.47 30.56 2fki s TRP 78 CO 0.00 0.47 -0.15 -1.12 0.02 0.00 0.00 176.95 176.17 2fki s SER 79 N -3.03 2.40 -0.14 2.95 0.01 -1.26 -4.74 113.70 109.89 2fki s SER 79 Ca 0.36 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 57.22 2fki s SER 79 Cb -0.11 -1.08 0.02 0.00 0.21 0.00 0.00 66.02 65.05 2fki s SER 79 CO 0.28 0.03 -0.17 -0.89 0.41 0.00 0.00 173.24 172.90 2fki s THR 80 N 0.90 1.72 -0.18 1.44 2.01 -1.26 -3.04 115.64 117.23 2fki s THR 80 Ca -0.09 -0.75 -0.08 0.00 0.31 0.00 0.00 61.69 61.09 2fki s THR 80 Cb -0.15 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 2fki s THR 80 CO -0.00 0.48 0.07 -0.69 -0.69 0.00 0.00 174.62 173.79 2fki s VAL 81 N 1.17 4.86 -0.15 3.82 1.01 0.11 -4.31 120.40 126.91 2fki s VAL 81 Ca -0.01 -0.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 2fki s VAL 81 Cb -0.14 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 2fki s VAL 81 CO -0.06 0.46 0.23 -0.31 0.00 0.00 0.00 175.10 175.42 2fki s TYR 82 N 0.34 3.50 -0.09 5.22 1.51 -1.26 -0.54 117.35 126.02 2fki s TYR 82 Ca 0.04 0.55 -0.01 0.00 -1.01 0.00 0.00 57.07 56.63 2fki s TYR 82 Cb -0.12 -2.21 0.00 0.00 -0.11 0.00 0.00 41.96 39.52 2fki s TYR 82 CO -0.00 0.38 2.31 1.28 -1.11 0.00 0.00 175.55 178.41 2fki n LEU 83 N 3.11 5.62 -3.85 -1.29 4.77 -1.09 -4.68 117.00 119.60 2fki n LEU 83 Ca -0.15 -2.81 -0.42 0.00 -0.03 0.00 0.00 56.01 52.60 2fki n LEU 83 Cb 0.52 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 2fki n LEU 83 CO 0.37 1.20 2.06 -0.67 -1.33 0.00 0.00 177.39 179.03 2fki n ASP 84 N 1.39 4.91 0.00 -1.43 2.03 -1.26 -4.67 116.55 117.53 2fki n ASP 84 Ca 0.16 -3.07 0.00 0.00 0.52 0.00 0.00 54.79 52.40 2fki n ASP 84 Cb 0.59 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 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 2.99 1.45 0.36 0.27 0.00 -1.26 -4.71 105.19 104.29 2fki n GLY 85 Ca 0.42 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.45 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 0.93 -3.81 1.61 0.02 -1.84 -3.40 113.55 107.05 2fki h SER 86 Ca 0.00 -0.01 -0.65 0.00 -0.84 0.00 0.00 61.79 60.28 2fki h SER 86 Cb 0.00 -0.22 -0.18 0.00 0.14 0.00 0.00 62.40 62.14 2fki h SER 86 CO 0.00 0.65 -0.52 -0.76 -1.14 0.00 0.00 176.83 175.06 2fki s LEU 87 N -9.94 4.14 0.80 5.07 2.01 -1.26 -5.08 118.68 114.41 2fki s LEU 87 Ca -0.11 -0.18 -0.11 0.00 0.01 0.00 0.00 54.13 53.73 2fki s LEU 87 Cb 0.19 -2.10 0.08 0.00 0.01 0.00 0.00 46.19 44.36 2fki s LEU 87 CO 0.79 -0.11 1.12 -2.84 1.01 0.00 0.00 176.35 176.32 2fki s PRO 88 N 1.73 1.96 0.43 1.29 0.02 -1.26 -4.87 135.00 134.29 2fki s PRO 88 Ca 0.07 1.33 0.13 0.00 0.02 0.00 0.00 61.00 62.55 2fki s PRO 88 Cb -0.16 -1.85 0.92 0.00 0.02 0.00 0.00 34.50 33.43 2fki s PRO 88 CO 0.10 -1.89 1.96 0.38 -0.33 0.00 0.00 177.00 177.22 2fki h ASP 89 N -1.18 0.06 -0.73 2.53 2.03 -1.97 -1.43 116.42 115.73 2fki h ASP 89 Ca -0.44 -0.01 -0.05 0.00 -0.73 0.00 0.00 57.03 55.80 2fki h ASP 89 Cb 1.25 -0.02 -0.03 0.00 -0.83 0.00 0.00 39.33 39.70 2fki h ASP 89 CO 0.49 0.25 0.25 -1.28 -1.03 0.00 0.00 179.24 177.92 2fki h SER 90 N 0.06 1.05 0.24 4.15 0.87 -2.02 -2.62 113.55 115.29 2fki h SER 90 Ca 0.01 -0.18 -0.12 0.00 -1.23 0.00 0.00 61.79 60.27 2fki h SER 90 Cb 0.36 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2fki h SER 90 CO 0.02 0.96 -0.46 1.56 -0.53 0.00 0.00 176.83 178.38 2fki h GLN 91 N 1.09 0.27 -0.90 2.24 1.08 -1.64 -2.87 115.11 114.38 2fki h GLN 91 Ca 0.24 -0.14 0.02 0.00 -1.45 0.00 0.00 58.65 57.32 2fki h GLN 91 Cb 0.27 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.66 2fki h GLN 91 CO -0.01 0.68 0.59 0.82 -0.95 0.00 0.00 178.83 179.96 2fki h ILE 92 N 0.22 1.19 -0.20 2.54 2.04 -1.07 0.16 117.51 122.39 2fki h ILE 92 Ca 0.01 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 2fki h ILE 92 Cb 0.90 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2fki h ILE 92 CO 0.07 0.21 0.08 1.88 0.00 0.00 0.00 178.15 180.40 2fki h TYR 93 N 1.17 0.32 -0.36 1.37 0.05 -1.40 -2.82 116.97 115.30 2fki h TYR 93 Ca 0.34 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 59.08 2fki h TYR 93 Cb -0.07 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 2fki h TYR 93 CO -0.00 0.37 0.15 -0.92 -1.05 0.00 0.00 178.16 176.70 2fki h TYR 94 N 0.17 0.54 0.16 4.88 3.20 -1.22 -1.93 116.97 122.77 2fki h TYR 94 Ca 0.07 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.91 2fki h TYR 94 Cb 0.19 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 2fki h TYR 94 CO -0.01 0.49 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.66 2fki h LEU 95 N 0.44 -0.76 -0.52 2.82 3.38 -0.70 0.42 115.31 120.39 2fki h LEU 95 Ca 0.12 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2fki h LEU 95 Cb 0.17 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2fki h LEU 95 CO -0.01 -0.37 0.23 0.58 0.09 0.00 0.00 178.44 178.96 2fki h VAL 96 N -0.51 1.21 -0.25 1.22 2.07 -1.48 -2.42 116.25 116.09 2fki h VAL 96 Ca 0.02 -0.61 -0.11 0.00 0.82 0.00 0.00 66.70 66.82 2fki h VAL 96 Cb 0.51 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2fki h VAL 96 CO -0.13 0.24 -0.32 -0.78 0.02 0.00 0.00 177.57 176.60 2fki h ASP 97 N 0.69 0.53 0.35 0.57 3.58 -1.11 -1.61 116.42 119.42 2fki h ASP 97 Ca 0.18 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 2fki h ASP 97 Cb 0.16 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 2fki h ASP 97 CO -0.02 0.82 -0.25 0.00 -2.88 0.00 0.00 179.24 176.92 2fki h ALA 98 N 1.21 -0.58 -0.08 -0.78 0.00 0.19 0.38 119.26 119.60 2fki h ALA 98 Ca 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2fki h ALA 98 Cb 0.77 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2fki h ALA 98 CO 0.06 -0.84 -0.00 0.66 0.00 0.00 0.00 179.25 179.13 2fki h SER 99 N -0.59 0.10 -0.22 0.00 4.64 -1.37 -1.23 113.55 114.88 2fki h SER 99 Ca -0.03 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.24 2fki h SER 99 Cb 0.50 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2fki h SER 99 CO 0.01 0.13 -0.04 0.22 -0.87 0.00 0.00 176.83 176.28 2fki h TYR 100 N 0.12 0.47 -0.59 4.77 3.20 -0.52 -1.72 116.97 122.70 2fki h TYR 100 Ca 0.03 -0.09 0.03 0.00 3.14 0.00 0.00 58.73 61.83 2fki h TYR 100 Cb 0.09 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 2fki h TYR 100 CO 0.00 0.64 0.36 1.96 -1.64 0.00 0.00 178.16 179.48 2fki h GLN 101 N 0.16 0.69 -0.33 1.82 1.08 0.61 -0.12 115.11 119.03 2fki h GLN 101 Ca 0.06 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2fki h GLN 101 Cb 0.48 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 2fki h GLN 101 CO 0.02 0.45 0.20 1.96 -0.95 0.00 0.00 178.83 180.51 2fki h GLN 102 N 0.71 0.39 -0.44 1.46 4.20 -1.19 -0.60 115.11 119.64 2fki h GLN 102 Ca 0.24 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 2fki h GLN 102 Cb 0.03 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2fki h GLN 102 CO -0.10 0.26 0.25 0.00 -0.67 0.00 0.00 178.83 178.57 2fki h ALA 103 N 1.14 0.56 -0.86 3.87 0.00 -0.83 -2.19 119.26 120.96 2fki h ALA 103 Ca 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2fki h ALA 103 Cb -0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 2fki h ALA 103 CO -0.05 0.08 0.49 0.28 0.00 0.00 0.00 179.25 180.05 2fki h VAL 104 N 0.58 1.24 0.00 0.00 2.07 -0.76 -1.33 116.25 118.06 2fki h VAL 104 Ca 0.16 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2fki h VAL 104 Cb 0.04 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 2fki h VAL 104 CO -0.03 0.26 0.00 0.78 0.02 0.00 0.00 177.57 178.61 2fki h ASN 105 N 1.19 0.00 0.62 0.57 2.35 -0.69 -1.54 115.58 118.07 2fki h ASN 105 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2fki h ASN 105 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2fki h ASN 105 CO -0.05 0.00 -0.42 0.18 -1.65 0.00 0.00 177.43 175.48 2fki n LEU 106 N -2.87 0.43 -4.84 1.61 4.77 -0.52 -4.89 117.00 110.69 2fki n LEU 106 Ca 0.00 0.11 -0.34 0.00 -0.03 0.00 0.00 56.01 55.75 2fki n LEU 106 Cb 0.25 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.99 2fki n LEU 106 CO 0.24 0.09 0.44 -0.76 -1.33 0.00 0.00 177.39 176.07 2fki s LEU 107 N -3.10 4.14 1.04 2.23 1.43 -0.58 -5.07 118.68 118.76 2fki s LEU 107 Ca 0.11 1.36 -0.13 0.00 -1.03 0.00 0.00 54.13 54.44 2fki s LEU 107 Cb 0.17 -3.97 0.21 0.00 0.03 0.00 0.00 46.19 42.63 2fki s LEU 107 CO 0.67 -0.15 1.09 -2.16 0.23 0.00 0.00 176.35 176.03 2fki s PRO 108 N -2.70 0.13 0.25 1.29 0.04 -1.26 -4.69 135.00 128.05 2fki s PRO 108 Ca 0.52 0.46 -0.04 0.00 0.04 0.00 0.00 61.00 61.98 2fki s PRO 108 Cb -0.12 -1.71 0.49 0.00 0.04 0.00 0.00 34.50 33.20 2fki s PRO 108 CO 0.18 -2.92 1.70 0.93 0.04 0.00 0.00 177.00 176.93 2fki h GLU 109 N -2.03 0.32 -0.52 4.56 4.39 -1.97 -1.50 114.58 117.83 2fki h GLU 109 Ca -0.55 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.23 2fki h GLU 109 Cb 1.33 -0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 29.81 2fki h GLU 109 CO 0.56 0.21 -0.20 1.49 -1.16 0.00 0.00 179.01 179.91 2fki h GLU 110 N 0.33 -0.08 -0.04 2.33 4.81 -2.00 -0.70 114.58 119.22 2fki h GLU 110 Ca 0.43 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.61 2fki h GLU 110 Cb 0.72 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2fki h GLU 110 CO -0.48 -0.05 -0.20 0.87 -0.73 0.00 0.00 179.01 178.42 2fki h LYS 111 N -0.09 0.20 -0.89 1.92 6.56 -1.70 -3.13 116.57 119.44 2fki h LYS 111 Ca 0.24 -0.16 0.03 0.00 -1.06 0.00 0.00 60.65 59.70 2fki h LYS 111 Cb 0.46 0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 32.11 2fki h LYS 111 CO -0.58 0.82 0.59 0.00 -2.06 0.00 0.00 179.45 178.22 2fki h ARG 112 N -0.38 1.11 -0.22 3.15 3.08 -0.91 0.34 114.38 120.55 2fki h ARG 112 Ca -0.01 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2fki h ARG 112 Cb 0.86 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2fki h ARG 112 CO 0.04 0.73 0.03 0.87 -1.07 0.00 0.00 179.97 180.58 2fki h LYS 113 N 1.14 0.36 -0.74 0.04 1.79 -1.24 -3.02 116.57 114.91 2fki h LYS 113 Ca 0.35 -0.10 -0.05 0.00 -2.18 0.00 0.00 60.65 58.66 2fki h LYS 113 Cb -0.03 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.55 2fki h LYS 113 CO -0.10 0.51 0.25 -0.07 -1.08 0.00 0.00 179.45 178.97 2fki h LEU 114 N 0.16 1.06 -1.75 2.94 3.38 -1.26 -2.31 115.31 117.52 2fki h LEU 114 Ca 0.07 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2fki h LEU 114 Cb 0.33 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2fki h LEU 114 CO 0.00 0.96 -0.13 -0.07 0.09 0.00 0.00 178.44 179.30 2fki h LEU 115 N 1.10 0.00 -0.13 1.67 3.38 -0.93 -1.03 115.31 119.36 2fki h LEU 115 Ca 0.24 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.03 2fki h LEU 115 Cb 0.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2fki h LEU 115 CO -0.01 0.13 -0.85 0.58 0.09 0.00 0.00 178.44 178.37 2fki h VAL 116 N 0.00 1.52 0.00 1.22 2.07 -1.30 -3.26 116.25 116.49 2fki h VAL 116 Ca -0.00 -3.00 -0.11 0.00 0.82 0.00 0.00 66.70 64.41 2fki h VAL 116 Cb 0.22 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 2fki h VAL 116 CO 0.02 0.83 -0.54 1.56 0.02 0.00 0.00 177.57 179.46 2fki h GLN 117 N 0.00 0.00 -0.00 1.57 1.08 -0.70 -3.52 115.11 113.54 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 1.59 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.02 2fki h GLN 117 CO 0.11 0.54 0.00 1.28 -0.95 0.00 0.00 178.83 179.81