#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 2.68 0.40 3.17 -4.23 -1.26 -4.98 115.64 111.42 2fki s THR 2 Ca 0.00 -0.53 0.10 0.00 -1.18 0.00 0.00 61.69 60.08 2fki s THR 2 Cb 0.00 -3.05 0.17 0.00 1.34 0.00 0.00 72.50 70.96 2fki s THR 2 CO 0.00 -0.04 1.94 0.40 -0.54 0.00 0.00 174.62 176.38 2fki h ILE 3 N -0.08 1.16 -0.60 2.99 1.08 -2.05 -2.20 117.51 117.80 2fki h ILE 3 Ca -0.43 -0.72 -0.01 0.00 -0.39 0.00 0.00 64.86 63.31 2fki h ILE 3 Cb 1.30 1.21 -0.03 0.00 -3.07 0.00 0.00 36.82 36.23 2fki h ILE 3 CO 0.55 0.22 0.35 0.28 -0.69 0.00 0.00 178.15 178.86 2fki h SER 4 N 0.19 0.74 -0.61 1.72 0.02 -1.99 0.62 113.55 114.25 2fki h SER 4 Ca 0.04 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 2fki h SER 4 Cb 0.34 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 2fki h SER 4 CO 0.02 0.60 0.18 -0.33 -1.14 0.00 0.00 176.83 176.15 2fki h GLU 5 N 0.82 0.99 -0.25 3.45 5.08 -1.80 -0.23 114.58 122.64 2fki h GLU 5 Ca 0.22 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2fki h GLU 5 Cb 0.01 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2fki h GLU 5 CO -0.04 0.86 0.04 1.25 -1.00 0.00 0.00 179.01 180.12 2fki h LEU 6 N 0.95 0.40 -0.57 1.33 7.12 -0.91 -1.00 115.31 122.62 2fki h LEU 6 Ca 0.21 -0.26 0.01 0.00 0.13 0.00 0.00 57.88 57.96 2fki h LEU 6 Cb 0.31 -0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 40.30 2fki h LEU 6 CO -0.00 0.56 0.37 -0.07 -0.13 0.00 0.00 178.44 179.17 2fki h LEU 7 N 0.22 0.64 -1.11 2.25 3.38 -0.61 -1.69 115.31 118.40 2fki h LEU 7 Ca 0.08 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2fki h LEU 7 Cb 0.34 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2fki h LEU 7 CO 0.01 0.46 0.16 -0.61 0.09 0.00 0.00 178.44 178.54 2fki h GLN 8 N 0.76 0.79 -0.27 1.13 4.15 -0.91 -1.67 115.11 119.08 2fki h GLN 8 Ca 0.22 -0.14 -0.06 0.00 0.77 0.00 0.00 58.65 59.43 2fki h GLN 8 Cb -0.06 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 2fki h GLN 8 CO -0.06 0.69 -0.10 -0.92 -1.93 0.00 0.00 178.83 176.51 2fki h TYR 9 N 0.77 0.48 0.00 3.99 3.20 -0.58 -1.83 116.97 123.00 2fki h TYR 9 Ca 0.18 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 2fki h TYR 9 Cb 0.24 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 2fki h TYR 9 CO 0.01 0.55 -0.31 0.00 -1.64 0.00 0.00 178.16 176.77 2fki h MET 11 N 0.00 0.00 0.00 0.00 2.86 -0.66 -2.51 114.93 114.61 2fki h MET 11 Ca -0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 2fki h MET 11 Cb 0.79 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 2fki h MET 11 CO 0.04 0.07 -0.28 0.00 1.06 0.00 0.00 176.91 177.81 2fki h ALA 12 N 1.93 0.86 -2.20 6.32 0.00 -1.22 -3.42 119.26 121.52 2fki h ALA 12 Ca -0.00 -0.25 -0.60 0.00 0.00 0.00 0.00 54.91 54.06 2fki h ALA 12 Cb 0.73 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.38 2fki h ALA 12 CO 0.01 0.35 0.47 0.15 0.00 0.00 0.00 179.25 180.23 2fki s LYS 13 N -3.24 4.00 0.29 0.00 -0.14 -0.95 -5.02 119.74 114.67 2fki s LYS 13 Ca 0.04 0.70 -0.29 0.00 -1.36 0.00 0.00 55.97 55.05 2fki s LYS 13 Cb 0.08 -3.72 -0.10 0.00 -1.68 0.00 0.00 37.83 32.41 2fki s LYS 13 CO 0.69 -0.70 1.35 -1.25 -0.76 0.00 0.00 175.35 174.68 2fki s PRO 14 N 3.05 4.33 0.00 -1.68 0.04 -1.26 -2.89 135.00 136.59 2fki s PRO 14 Ca 0.35 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.61 2fki s PRO 14 Cb -0.14 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2fki s PRO 14 CO 0.12 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.30 2fki n GLY 15 N 1.43 3.21 3.62 0.56 0.00 -1.26 -4.95 105.19 107.81 2fki n GLY 15 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.98 3.43 0.10 4.61 0.00 -1.14 -4.19 121.76 122.59 2fki s ALA 16 Ca 0.00 -0.23 0.09 0.00 0.00 0.00 0.00 51.96 51.82 2fki s ALA 16 Cb 0.00 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 2fki s ALA 16 CO 0.00 -1.60 -0.23 -2.00 0.00 0.00 0.00 175.76 171.93 2fki s GLU 17 N 3.67 1.69 -0.14 0.00 2.12 -0.55 -4.75 118.70 120.74 2fki s GLU 17 Ca 0.43 -1.20 -0.19 0.00 0.36 0.00 0.00 54.97 54.37 2fki s GLU 17 Cb -0.12 -2.03 -0.04 0.00 0.26 0.00 0.00 34.13 32.21 2fki s GLU 17 CO 0.18 0.48 0.53 -0.65 -0.54 0.00 0.00 175.26 175.26 2fki s GLN 18 N -1.88 4.31 -0.02 4.30 -0.21 -1.26 -2.19 119.66 122.71 2fki s GLN 18 Ca 0.15 0.51 0.04 0.00 0.02 0.00 0.00 55.36 56.08 2fki s GLN 18 Cb -0.10 -3.48 -0.03 0.00 1.00 0.00 0.00 33.01 30.40 2fki s GLN 18 CO 0.07 0.04 -0.12 -1.12 -2.12 0.00 0.00 175.29 172.04 2fki s SER 19 N 0.81 4.24 -0.27 5.90 0.01 0.65 -4.92 113.70 120.11 2fki s SER 19 Ca 0.27 -0.20 -0.01 0.00 1.31 0.00 0.00 55.95 57.32 2fki s SER 19 Cb -0.16 -0.91 0.04 0.00 0.21 0.00 0.00 66.02 65.20 2fki s SER 19 CO 0.11 0.31 -0.04 0.54 0.41 0.00 0.00 173.24 174.58 2fki s VAL 20 N -0.86 2.87 -0.35 3.43 0.11 -1.26 0.13 120.40 124.48 2fki s VAL 20 Ca 0.14 -1.25 -0.10 0.00 -2.93 0.00 0.00 61.98 57.84 2fki s VAL 20 Cb -0.11 -2.57 0.01 0.00 -1.53 0.00 0.00 36.38 32.18 2fki s VAL 20 CO 0.04 0.03 0.18 -2.28 -3.33 0.00 0.00 175.10 169.74 2fki s HIS 21 N 1.27 3.21 1.04 1.54 5.04 -1.22 -5.00 115.29 121.18 2fki s HIS 21 Ca -0.03 -0.79 -0.11 0.00 -1.54 0.00 0.00 55.06 52.58 2fki s HIS 21 Cb -0.18 -2.40 0.21 0.00 0.04 0.00 0.00 32.58 30.25 2fki s HIS 21 CO -0.03 -0.56 1.09 1.21 -2.34 0.00 0.00 174.74 174.10 2fki s ASN 22 N 1.58 1.95 0.00 9.88 2.47 -1.26 -0.28 114.94 129.28 2fki s ASN 22 Ca 0.03 1.85 0.00 0.00 0.42 0.00 0.00 52.86 55.16 2fki s ASN 22 Cb -0.18 -2.44 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 2fki s ASN 22 CO 0.06 -3.65 0.00 -0.67 -3.72 0.00 0.00 177.10 169.12 2fki n ASP 23 N -4.57 0.00 -0.02 -4.21 2.03 -1.26 -4.44 116.55 104.07 2fki n ASP 23 Ca 0.07 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.35 2fki n ASP 23 Cb 0.53 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.91 2fki n ASP 23 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 2fki n TRP 24 N 0.00 0.00 -1.14 -0.67 7.02 -1.14 -5.02 117.44 116.50 2fki n TRP 24 Ca 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.43 2fki n TRP 24 Cb 0.00 -0.19 -0.02 0.00 -2.42 0.00 0.00 31.31 28.68 2fki n TRP 24 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 2fki n LYS 25 N -2.49 -1.04 -2.99 -0.99 4.81 0.61 -4.81 118.16 111.27 2fki n LYS 25 Ca -0.08 0.54 -0.20 0.00 -0.87 0.00 0.00 58.31 57.69 2fki n LYS 25 Cb 0.60 -4.46 0.07 0.00 0.02 0.00 0.00 35.03 31.26 2fki n LYS 25 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2fki s ALA 26 N -1.82 4.61 -0.16 3.14 0.00 -1.25 -4.88 121.76 121.40 2fki s ALA 26 Ca 0.00 -2.12 -0.07 0.00 0.00 0.00 0.00 51.96 49.77 2fki s ALA 26 Cb 0.00 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 2fki s ALA 26 CO 0.00 -0.95 0.08 0.99 0.00 0.00 0.00 175.76 175.89 2fki s THR 27 N -2.73 5.00 -0.05 0.00 2.01 -1.26 -3.38 115.64 115.23 2fki s THR 27 Ca 0.63 0.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.65 2fki s THR 27 Cb -0.06 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2fki s THR 27 CO 0.40 0.50 0.04 -1.10 -0.69 0.00 0.00 174.62 173.77 2fki s GLN 28 N -0.03 3.02 -0.29 4.92 1.11 0.12 -2.76 119.66 125.75 2fki s GLN 28 Ca 0.07 -0.43 -0.02 0.00 0.01 0.00 0.00 55.36 54.99 2fki s GLN 28 Cb -0.12 -2.83 0.05 0.00 -1.01 0.00 0.00 33.01 29.10 2fki s GLN 28 CO 0.01 0.68 -0.01 0.42 0.01 0.00 0.00 175.29 176.39 2fki s ILE 29 N -1.02 2.95 0.10 1.08 1.09 0.25 -0.26 121.20 125.39 2fki s ILE 29 Ca 0.17 -1.34 -0.00 0.00 -1.10 0.00 0.00 60.65 58.38 2fki s ILE 29 Cb -0.12 -2.67 -0.04 0.00 -1.06 0.00 0.00 42.46 38.58 2fki s ILE 29 CO 0.07 -0.06 -0.01 -1.59 -0.10 0.00 0.00 174.94 173.26 2fki s LYS 30 N 1.26 0.82 0.00 2.79 -2.85 -0.93 -3.32 119.74 117.51 2fki s LYS 30 Ca -0.05 -1.36 0.00 0.00 -1.00 0.00 0.00 55.97 53.57 2fki s LYS 30 Cb -0.19 0.07 0.00 0.00 -2.06 0.00 0.00 37.83 35.65 2fki s LYS 30 CO -0.02 -0.14 0.00 0.28 0.10 0.00 0.00 175.35 175.57 2fki n VAL 31 N -0.03 0.00 -0.00 1.79 0.31 -0.87 -1.49 118.33 118.04 2fki n VAL 31 Ca -0.10 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2fki n VAL 31 Cb 0.62 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.55 2fki n VAL 31 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2fki h GLU 32 N 0.00 -0.00 0.00 5.55 4.39 -1.99 -3.38 114.58 119.15 2fki h GLU 32 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2fki h GLU 32 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2fki h GLU 32 CO 0.00 -0.00 0.00 -3.47 -1.16 0.00 0.00 179.01 174.38 2fki n ASP 33 N -2.79 0.09 -4.52 1.42 2.03 -1.26 -5.04 116.55 106.48 2fki n ASP 33 Ca -0.00 -1.02 -0.42 0.00 0.52 0.00 0.00 54.79 53.87 2fki n ASP 33 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 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 -0.02 4.01 -0.79 5.18 1.01 -1.26 -4.94 120.40 123.58 2fki s VAL 34 Ca 0.00 -0.24 -0.21 0.00 0.00 0.00 0.00 61.98 61.53 2fki s VAL 34 Cb 0.00 -4.88 0.09 0.00 0.00 0.00 0.00 36.38 31.59 2fki s VAL 34 CO 0.00 -1.75 1.08 -0.22 0.00 0.00 0.00 175.10 174.21 2fki s LEU 35 N 4.86 4.53 0.00 3.92 2.96 -1.26 -2.05 118.68 131.65 2fki s LEU 35 Ca 0.34 -1.42 0.21 0.00 -0.22 0.00 0.00 54.13 53.05 2fki s LEU 35 Cb -0.08 -2.43 -0.26 0.00 0.50 0.00 0.00 46.19 43.93 2fki s LEU 35 CO 0.06 -1.31 0.56 2.22 -1.32 0.00 0.00 176.35 176.56 2fki n PHE 36 N 7.41 0.24 -3.72 5.38 -1.74 -1.22 -4.54 117.46 119.27 2fki n PHE 36 Ca 0.10 0.07 -0.15 0.00 -0.56 0.00 0.00 57.45 56.91 2fki n PHE 36 Cb 0.47 -0.67 -0.15 0.00 1.52 0.00 0.00 39.48 40.65 2fki n PHE 36 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2fki s ALA 37 N -3.35 -0.16 -0.10 1.98 0.00 -1.21 -1.81 121.76 117.11 2fki s ALA 37 Ca -0.06 0.56 -0.04 0.00 0.00 0.00 0.00 51.96 52.42 2fki s ALA 37 Cb 0.12 -0.56 0.05 0.00 0.00 0.00 0.00 23.12 22.74 2fki s ALA 37 CO 0.87 -0.30 0.20 1.41 0.00 0.00 0.00 175.76 177.94 2fki s MET 38 N 1.59 0.08 0.20 0.00 1.75 -0.92 -0.59 119.30 121.41 2fki s MET 38 Ca -0.04 0.64 -0.19 0.00 -1.25 0.00 0.00 55.69 54.85 2fki s MET 38 Cb -0.12 -0.18 -0.08 0.00 2.84 0.00 0.00 34.83 37.30 2fki s MET 38 CO -0.05 -0.30 0.68 0.54 -0.65 0.00 0.00 175.02 175.24 2fki s VAL 39 N 2.33 4.64 -0.03 10.11 0.11 -1.11 -2.04 120.40 134.40 2fki s VAL 39 Ca 0.02 1.19 -0.01 0.00 -2.93 0.00 0.00 61.98 60.25 2fki s VAL 39 Cb -0.12 -3.84 0.02 0.00 -1.53 0.00 0.00 36.38 30.92 2fki s VAL 39 CO -0.07 0.24 0.07 -0.54 -3.33 0.00 0.00 175.10 171.47 2fki s LYS 40 N -1.90 0.03 -0.41 1.54 3.01 0.97 -4.25 119.74 118.71 2fki s LYS 40 Ca 0.41 0.21 -0.24 0.00 -1.01 0.00 0.00 55.97 55.34 2fki s LYS 40 Cb -0.17 -0.15 0.02 0.00 -1.01 0.00 0.00 37.83 36.53 2fki s LYS 40 CO 0.21 -0.12 0.82 -2.00 0.51 0.00 0.00 175.35 174.77 2fki s GLU 41 N 0.79 3.59 -0.01 1.68 2.12 -1.26 -0.61 118.70 125.00 2fki s GLU 41 Ca -0.06 0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.43 2fki s GLU 41 Cb -0.09 -3.88 0.00 0.00 0.26 0.00 0.00 34.13 30.43 2fki s GLU 41 CO -0.03 -1.03 -0.01 0.54 -0.54 0.00 0.00 175.26 174.20 2fki s VAL 42 N 3.33 0.09 -1.27 3.70 0.11 -0.32 -4.74 120.40 121.29 2fki s VAL 42 Ca 0.33 -0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 59.34 2fki s VAL 42 Cb -0.12 -0.10 0.00 0.00 -1.53 0.00 0.00 36.38 34.63 2fki s VAL 42 CO 0.21 0.04 0.34 -0.62 -3.33 0.00 0.00 175.10 171.74 2fki n GLU 43 N 3.26 -3.09 -0.32 1.54 -0.58 -1.26 -2.47 120.64 117.72 2fki n GLU 43 Ca -0.15 0.74 0.00 0.00 -0.42 0.00 0.00 57.16 57.33 2fki n GLU 43 Cb 0.58 -5.18 0.00 0.00 -0.57 0.00 0.00 31.44 26.27 2fki n GLU 43 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2fki n ASN 44 N -1.45 0.00 -4.48 1.62 5.15 -1.26 -4.97 115.26 109.87 2fki n ASN 44 Ca -0.12 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.53 2fki n ASN 44 Cb 0.61 -0.61 -0.13 0.00 -0.53 0.00 0.00 39.78 39.12 2fki n ASN 44 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2fki s ARG 45 N -0.12 2.49 -0.17 1.20 1.81 -1.03 -5.08 118.95 118.03 2fki s ARG 45 Ca 0.00 -0.71 -0.29 0.00 -1.72 0.00 0.00 55.73 53.01 2fki s ARG 45 Cb 0.00 -2.37 -0.03 0.00 -0.45 0.00 0.00 34.95 32.10 2fki s ARG 45 CO 0.00 0.62 1.51 -1.25 -0.68 0.00 0.00 175.30 175.50 2fki s PRO 46 N -0.77 4.01 0.14 3.54 0.04 -1.26 -1.18 135.00 139.52 2fki s PRO 46 Ca 0.12 1.76 0.07 0.00 0.04 0.00 0.00 61.00 62.99 2fki s PRO 46 Cb -0.11 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.45 2fki s PRO 46 CO 0.01 -1.03 -0.17 0.00 0.04 0.00 0.00 177.00 175.86 2fki s ALA 47 N 4.43 1.75 0.13 8.56 0.00 0.22 -3.30 121.76 133.54 2fki s ALA 47 Ca 0.67 -1.37 0.09 0.00 0.00 0.00 0.00 51.96 51.34 2fki s ALA 47 Cb -0.25 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 2fki s ALA 47 CO 0.25 0.19 -0.16 0.54 0.00 0.00 0.00 175.76 176.59 2fki s VAL 48 N -1.99 2.97 -0.10 0.00 0.11 0.90 -0.02 120.40 122.27 2fki s VAL 48 Ca 0.12 -1.50 -0.02 0.00 -2.93 0.00 0.00 61.98 57.65 2fki s VAL 48 Cb -0.06 -2.39 0.03 0.00 -1.53 0.00 0.00 36.38 32.44 2fki s VAL 48 CO 0.05 0.06 0.00 -0.44 -3.33 0.00 0.00 175.10 171.44 2fki s SER 49 N -2.27 1.85 0.05 3.54 0.01 -0.87 -0.69 113.70 115.32 2fki s SER 49 Ca 0.20 -0.22 -0.10 0.00 1.31 0.00 0.00 55.95 57.13 2fki s SER 49 Cb -0.10 -0.50 -0.06 0.00 0.21 0.00 0.00 66.02 65.57 2fki s SER 49 CO 0.12 -0.21 0.38 -0.76 0.41 0.00 0.00 173.24 173.18 2fki s LEU 50 N 1.93 4.37 -0.94 2.44 1.02 -1.26 -2.17 118.68 124.08 2fki s LEU 50 Ca 0.04 0.79 -0.24 0.00 0.02 0.00 0.00 54.13 54.74 2fki s LEU 50 Cb -0.13 -2.86 0.03 0.00 0.02 0.00 0.00 46.19 43.26 2fki s LEU 50 CO -0.06 0.21 1.48 -0.75 0.02 0.00 0.00 176.35 177.26 2fki s LYS 51 N -1.72 3.38 0.88 1.70 2.20 -0.75 -4.28 119.74 121.15 2fki s LYS 51 Ca 0.30 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 55.10 2fki s LYS 51 Cb -0.14 -5.08 0.00 0.00 -1.51 0.00 0.00 37.83 31.10 2fki s LYS 51 CO 0.17 -2.34 0.00 2.41 -0.36 0.00 0.00 175.35 175.23 2fki n THR 52 N 6.91 0.00 -1.52 3.43 -1.04 -0.72 -4.96 114.28 116.38 2fki n THR 52 Ca 0.28 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.37 2fki n THR 52 Cb 0.50 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.97 2fki n THR 52 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2fki n SER 53 N 3.90 -8.05 -0.10 8.00 3.41 -1.26 -3.73 113.62 115.80 2fki n SER 53 Ca 0.00 1.66 -0.14 0.00 -0.26 0.00 0.00 58.87 60.13 2fki n SER 53 Cb 0.00 -5.04 -0.03 0.00 -0.26 0.00 0.00 64.21 58.88 2fki n SER 53 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2fki h PRO 54 N -0.59 0.91 -0.10 4.33 0.11 -1.95 -2.64 132.00 132.07 2fki h PRO 54 Ca -0.09 -0.54 -0.01 0.00 0.11 0.00 0.00 66.00 65.47 2fki h PRO 54 Cb 1.15 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2fki h PRO 54 CO 0.04 1.18 0.01 0.93 -0.21 0.00 0.00 178.00 179.95 2fki h GLU 55 N 0.72 0.18 -0.15 1.05 3.07 -1.99 -2.09 114.58 115.37 2fki h GLU 55 Ca 0.03 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.76 2fki h GLU 55 Cb 1.08 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 2fki h GLU 55 CO 0.11 0.40 -0.26 -0.07 -1.40 0.00 0.00 179.01 177.79 2fki h LEU 56 N -0.07 0.27 0.03 1.33 3.38 -1.72 -0.91 115.31 117.62 2fki h LEU 56 Ca 0.03 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2fki h LEU 56 Cb 0.31 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2fki h LEU 56 CO 0.00 0.54 -0.21 0.00 0.09 0.00 0.00 178.44 178.86 2fki h ALA 57 N 1.49 -0.30 -0.23 1.53 0.00 -1.23 0.11 119.26 120.63 2fki h ALA 57 Ca 0.04 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2fki h ALA 57 Cb 0.59 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2fki h ALA 57 CO 0.04 -0.72 0.05 0.93 0.00 0.00 0.00 179.25 179.55 2fki h GLU 58 N -0.35 0.13 -0.02 0.00 4.39 -1.09 -2.44 114.58 115.20 2fki h GLU 58 Ca 0.05 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2fki h GLU 58 Cb 0.42 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2fki h GLU 58 CO -0.17 0.09 0.01 1.25 -1.16 0.00 0.00 179.01 179.03 2fki h LEU 59 N 0.14 0.00 -1.21 1.33 5.85 -0.75 0.03 115.31 120.70 2fki h LEU 59 Ca 0.10 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 2fki h LEU 59 Cb 0.10 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2fki h LEU 59 CO -0.13 0.00 -0.34 -0.07 -0.34 0.00 0.00 178.44 177.55 2fki h LEU 60 N 0.00 0.09 -0.00 2.25 4.07 -0.29 0.24 115.31 121.67 2fki h LEU 60 Ca 0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 2fki h LEU 60 Cb 0.04 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.75 2fki h LEU 60 CO -0.00 0.43 -0.04 0.03 -1.08 0.00 0.00 178.44 177.78 2fki h ARG 61 N 0.08 0.03 -0.09 1.13 -0.00 -0.96 -3.36 114.38 111.20 2fki h ARG 61 Ca 0.01 -0.03 -0.19 0.00 -0.50 0.00 0.00 59.98 59.27 2fki h ARG 61 Cb 0.65 0.01 -0.00 0.00 0.00 0.00 0.00 29.97 30.62 2fki h ARG 61 CO 0.05 0.81 -0.73 1.96 0.00 0.00 0.00 179.97 182.06 2fki h GLN 62 N -0.74 0.46 0.00 0.04 7.50 -1.35 -3.49 115.11 117.54 2fki h GLN 62 Ca -0.01 -0.37 0.00 0.00 0.50 0.00 0.00 58.65 58.77 2fki h GLN 62 Cb 0.82 0.08 0.00 0.00 0.05 0.00 0.00 27.48 28.43 2fki h GLN 62 CO 0.01 1.01 0.00 1.04 -1.50 0.00 0.00 178.83 179.39 2fki n GLN 63 N -3.86 0.00 -1.21 1.46 6.02 0.85 -4.88 117.38 115.76 2fki n GLN 63 Ca -0.05 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.87 2fki n GLN 63 Cb 0.71 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.94 2fki n GLN 63 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2fki n HIS 64 N 0.00 0.00 0.07 1.08 8.25 -1.26 -4.83 115.22 118.53 2fki n HIS 64 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.51 2fki n HIS 64 Cb 0.00 -1.75 0.11 0.00 1.12 0.00 0.00 29.99 29.46 2fki n HIS 64 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2fki n SER 65 N -0.07 2.51 -3.61 0.41 3.41 -1.26 -4.98 113.62 110.03 2fki n SER 65 Ca -0.07 -1.79 -0.23 0.00 -0.26 0.00 0.00 58.87 56.52 2fki n SER 65 Cb 0.34 -0.14 0.07 0.00 -0.26 0.00 0.00 64.21 64.22 2fki n SER 65 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2fki n ASP 66 N 0.53 -4.42 -4.81 4.04 2.03 -1.26 -4.75 116.55 107.91 2fki n ASP 66 Ca 0.09 -0.63 -0.36 0.00 0.52 0.00 0.00 54.79 54.42 2fki n ASP 66 Cb 0.36 -4.80 -0.07 0.00 -0.72 0.00 0.00 41.12 35.89 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 -3.36 5.45 -0.11 5.18 0.11 -1.26 -4.48 120.40 121.93 2fki s VAL 67 Ca 0.38 0.22 0.03 0.00 -2.93 0.00 0.00 61.98 59.68 2fki s VAL 67 Cb -0.17 -3.45 0.01 0.00 -1.53 0.00 0.00 36.38 31.24 2fki s VAL 67 CO 0.75 0.53 -0.20 0.00 -3.33 0.00 0.00 175.10 172.85 2fki s ARG 68 N -0.35 2.71 -0.17 1.54 3.03 -0.70 -4.96 118.95 120.06 2fki s ARG 68 Ca 0.12 -0.75 -0.29 0.00 2.03 0.00 0.00 55.73 56.84 2fki s ARG 68 Cb -0.12 -2.14 -0.04 0.00 -1.03 0.00 0.00 34.95 31.62 2fki s ARG 68 CO 0.01 0.06 1.80 -1.25 -1.13 0.00 0.00 175.30 174.79 2fki s PRO 69 N 0.63 3.75 -0.40 3.89 0.04 -1.26 -0.26 135.00 141.38 2fki s PRO 69 Ca -0.13 1.93 -0.28 0.00 0.04 0.00 0.00 61.00 62.55 2fki s PRO 69 Cb -0.16 -4.12 0.02 0.00 0.04 0.00 0.00 34.50 30.28 2fki s PRO 69 CO 0.03 -1.37 1.08 0.45 0.04 0.00 0.00 177.00 177.23 2fki s SER 70 N 5.01 6.74 0.37 6.66 0.15 -1.02 -4.82 113.70 126.79 2fki s SER 70 Ca 0.80 0.67 0.18 0.00 0.70 0.00 0.00 55.95 58.31 2fki s SER 70 Cb -0.30 -2.53 0.65 0.00 -1.71 0.00 0.00 66.02 62.13 2fki s SER 70 CO 0.33 -1.05 1.72 -0.09 1.20 0.00 0.00 173.24 175.34 2fki h ARG 71 N 8.71 0.00 0.00 5.44 1.12 -1.89 0.12 114.38 127.87 2fki h ARG 71 Ca -0.22 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.58 2fki h ARG 71 Cb 1.06 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.01 2fki h ARG 71 CO 1.07 0.38 -0.30 1.25 -3.11 0.00 0.00 179.97 179.26 2fki h HIS 72 N 0.00 0.00 0.00 2.20 2.76 -1.99 -3.39 115.15 114.73 2fki h HIS 72 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2fki h HIS 72 Cb 0.92 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.88 2fki h HIS 72 CO 0.00 0.30 0.00 1.28 -1.30 0.00 0.00 177.93 178.21 2fki n LEU 73 N -3.79 0.00 -3.15 0.26 4.77 -1.04 -5.07 117.00 108.98 2fki n LEU 73 Ca -0.01 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.01 2fki n LEU 73 Cb 0.39 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 2fki n LEU 73 CO 0.36 -0.12 0.36 0.21 -1.33 0.00 0.00 177.39 176.86 2fki s ASN 74 N -1.60 -0.94 0.14 -1.43 2.47 0.37 -5.03 114.94 108.91 2fki s ASN 74 Ca 0.00 0.35 -0.25 0.00 0.42 0.00 0.00 52.86 53.38 2fki s ASN 74 Cb 0.00 1.69 -0.01 0.00 -1.45 0.00 0.00 41.25 41.48 2fki s ASN 74 CO 0.00 -0.17 1.62 0.50 -3.72 0.00 0.00 177.10 175.33 2fki h LYS 75 N 7.82 -0.34 -0.64 0.43 3.11 -1.68 0.21 116.57 125.48 2fki h LYS 75 Ca -0.12 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 2fki h LYS 75 Cb 1.17 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.48 2fki h LYS 75 CO 0.05 -0.22 0.00 0.00 -2.81 0.00 0.00 179.45 176.46 2fki n ALA 76 N -2.79 2.50 0.00 5.00 0.00 -1.26 -4.26 120.51 119.69 2fki n ALA 76 Ca -0.03 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.26 2fki n ALA 76 Cb 0.31 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 1.30 0.00 -4.44 0.00 8.25 -1.07 -5.00 115.22 114.26 2fki n HIS 77 Ca 0.21 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.34 2fki n HIS 77 Cb 0.58 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.54 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 -0.38 2.82 -0.02 4.41 0.52 0.70 -1.76 118.94 125.23 2fki s TRP 78 Ca 0.00 -0.99 0.06 0.00 0.02 0.00 0.00 56.10 55.18 2fki s TRP 78 Cb 0.00 -1.92 -0.01 0.00 -1.15 0.00 0.00 33.47 30.39 2fki s TRP 78 CO 0.00 -0.46 -0.19 -1.54 0.02 0.00 0.00 176.95 174.78 2fki s SER 79 N 0.87 2.23 -0.34 2.95 1.04 -1.26 -2.44 113.70 116.75 2fki s SER 79 Ca -0.04 -0.35 -0.12 0.00 0.48 0.00 0.00 55.95 55.93 2fki s SER 79 Cb -0.15 -0.33 -0.00 0.00 0.10 0.00 0.00 66.02 65.64 2fki s SER 79 CO -0.01 0.22 0.21 -0.89 0.98 0.00 0.00 173.24 173.76 2fki s THR 80 N -0.35 4.96 -0.09 2.02 2.01 0.64 -4.08 115.64 120.74 2fki s THR 80 Ca 0.05 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.66 2fki s THR 80 Cb -0.08 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 2fki s THR 80 CO -0.00 -0.04 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.03 2fki s VAL 81 N 1.66 2.79 -0.34 3.82 1.01 0.13 -1.72 120.40 127.74 2fki s VAL 81 Ca 0.05 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 61.02 2fki s VAL 81 Cb -0.18 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.09 2fki s VAL 81 CO 0.08 0.55 0.74 -0.31 0.00 0.00 0.00 175.10 176.17 2fki s TYR 82 N -0.00 3.15 0.30 5.22 1.51 -1.26 -0.07 117.35 126.20 2fki s TYR 82 Ca -0.05 0.59 0.08 0.00 -1.01 0.00 0.00 57.07 56.68 2fki s TYR 82 Cb -0.14 -3.27 0.48 0.00 -0.11 0.00 0.00 41.96 38.91 2fki s TYR 82 CO 0.04 -0.65 1.71 -0.07 -1.11 0.00 0.00 175.55 175.47 2fki h LEU 83 N 9.55 0.18 -7.34 -1.29 3.38 -1.87 -2.38 115.31 115.53 2fki h LEU 83 Ca -0.25 -0.08 -0.72 0.00 0.09 0.00 0.00 57.88 56.93 2fki h LEU 83 Cb 1.10 -0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.68 2fki h LEU 83 CO 0.88 0.60 1.99 -0.67 0.09 0.00 0.00 178.44 181.33 2fki n ASP 84 N -4.00 4.93 0.00 -0.43 2.03 -1.24 -4.06 116.55 113.78 2fki n ASP 84 Ca -0.02 -2.96 0.00 0.00 0.52 0.00 0.00 54.79 52.33 2fki n ASP 84 Cb 0.49 -1.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.26 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 4.34 2.73 0.07 0.27 0.00 -1.26 -4.94 105.19 106.40 2fki n GLY 85 Ca 0.43 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.03 -3.16 1.61 0.02 -1.65 -3.44 113.55 106.89 2fki h SER 86 Ca 0.00 -0.45 -0.59 0.00 -0.84 0.00 0.00 61.79 59.90 2fki h SER 86 Cb 0.00 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.48 2fki h SER 86 CO 0.00 0.44 -0.20 -0.76 -1.14 0.00 0.00 176.83 175.18 2fki s LEU 87 N -9.25 4.38 0.54 5.07 2.01 -0.94 -5.04 118.68 115.44 2fki s LEU 87 Ca -0.16 0.85 -0.20 0.00 0.01 0.00 0.00 54.13 54.63 2fki s LEU 87 Cb 0.02 -2.59 -0.06 0.00 0.01 0.00 0.00 46.19 43.56 2fki s LEU 87 CO 0.65 0.18 1.16 -2.84 1.01 0.00 0.00 176.35 176.52 2fki s PRO 88 N -0.28 3.36 0.54 1.29 0.02 -1.26 -4.70 135.00 133.97 2fki s PRO 88 Ca 0.23 1.70 0.22 0.00 0.02 0.00 0.00 61.00 63.17 2fki s PRO 88 Cb -0.16 -2.08 1.43 0.00 0.02 0.00 0.00 34.50 33.71 2fki s PRO 88 CO 0.11 -0.86 2.12 0.22 -0.33 0.00 0.00 177.00 178.26 2fki h ASP 89 N 1.33 0.00 0.48 2.53 3.58 -1.98 -0.82 116.42 121.53 2fki h ASP 89 Ca -0.50 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 56.85 2fki h ASP 89 Cb 1.27 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.30 2fki h ASP 89 CO 0.57 0.00 -0.48 0.77 -2.88 0.00 0.00 179.24 177.22 2fki h SER 90 N 0.00 0.00 0.39 2.28 4.64 -2.01 -3.05 113.55 115.79 2fki h SER 90 Ca 0.07 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.26 2fki h SER 90 Cb 0.28 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2fki h SER 90 CO -0.00 0.48 -0.53 1.56 -0.87 0.00 0.00 176.83 177.48 2fki h GLN 91 N 0.00 0.16 -0.99 4.77 1.08 -1.52 -3.22 115.11 115.40 2fki h GLN 91 Ca -0.00 -0.09 0.14 0.00 -1.45 0.00 0.00 58.65 57.24 2fki h GLN 91 Cb 0.85 0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 28.20 2fki h GLN 91 CO 0.06 0.65 0.61 0.82 -0.95 0.00 0.00 178.83 180.02 2fki h ILE 92 N 0.12 0.85 -0.26 2.54 2.04 -1.57 -1.15 117.51 120.09 2fki h ILE 92 Ca 0.00 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.59 2fki h ILE 92 Cb 0.97 -0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 2fki h ILE 92 CO 0.08 0.16 0.04 1.88 0.00 0.00 0.00 178.15 180.31 2fki h TYR 93 N 0.90 0.06 -0.11 1.37 0.05 -1.73 -2.66 116.97 114.86 2fki h TYR 93 Ca 0.51 0.02 -0.18 0.00 0.05 0.00 0.00 58.73 59.13 2fki h TYR 93 Cb 0.61 0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.35 2fki h TYR 93 CO -0.01 0.01 -0.70 -0.92 -1.05 0.00 0.00 178.16 175.48 2fki h TYR 94 N 0.13 0.64 -0.51 4.88 3.20 -1.42 -2.01 116.97 121.88 2fki h TYR 94 Ca 0.12 -0.27 0.03 0.00 3.14 0.00 0.00 58.73 61.75 2fki h TYR 94 Cb 0.13 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 2fki h TYR 94 CO -0.17 1.03 0.29 -0.07 -1.64 0.00 0.00 178.16 177.60 2fki h LEU 95 N 0.34 0.45 -0.22 2.82 3.38 -1.10 0.19 115.31 121.16 2fki h LEU 95 Ca -0.03 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2fki h LEU 95 Cb 1.28 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2fki h LEU 95 CO 0.13 0.32 -0.30 0.58 0.09 0.00 0.00 178.44 179.25 2fki h VAL 96 N 0.57 1.33 -0.66 1.22 2.07 -1.42 -2.33 116.25 117.02 2fki h VAL 96 Ca 0.21 -1.50 -0.06 0.00 0.82 0.00 0.00 66.70 66.18 2fki h VAL 96 Cb 0.06 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 2fki h VAL 96 CO -0.12 0.46 0.19 -0.78 0.02 0.00 0.00 177.57 177.35 2fki h ASP 97 N 0.27 0.98 -0.31 0.57 3.58 -1.04 0.05 116.42 120.52 2fki h ASP 97 Ca 0.02 -0.22 -0.14 0.00 0.42 0.00 0.00 57.03 57.12 2fki h ASP 97 Cb 0.87 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.66 2fki h ASP 97 CO 0.07 0.94 -0.34 0.00 -2.88 0.00 0.00 179.24 177.04 2fki h ALA 98 N 1.08 0.45 0.00 -0.78 0.00 -0.68 -1.05 119.26 118.29 2fki h ALA 98 Ca 0.21 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2fki h ALA 98 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2fki h ALA 98 CO -0.00 0.51 -0.37 1.03 0.00 0.00 0.00 179.25 180.42 2fki h SER 99 N 0.53 0.00 0.03 0.00 0.87 -1.25 -2.04 113.55 111.69 2fki h SER 99 Ca 0.04 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.43 2fki h SER 99 Cb 0.92 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2fki h SER 99 CO 0.08 0.37 -0.62 0.22 -0.53 0.00 0.00 176.83 176.35 2fki h TYR 100 N 0.00 0.75 0.21 2.24 3.20 -0.80 -3.03 116.97 119.54 2fki h TYR 100 Ca -0.00 -0.29 0.01 0.00 3.14 0.00 0.00 58.73 61.58 2fki h TYR 100 Cb 0.73 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 2fki h TYR 100 CO 0.00 1.05 -0.23 0.37 -1.64 0.00 0.00 178.16 177.71 2fki h GLN 101 N 0.43 -0.46 -0.29 1.82 -0.00 -0.47 -1.63 115.11 114.51 2fki h GLN 101 Ca -0.01 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 2fki h GLN 101 Cb 1.19 0.10 -0.01 0.00 0.00 0.00 0.00 27.48 28.76 2fki h GLN 101 CO 0.12 -0.31 0.19 -0.56 0.00 0.00 0.00 178.83 178.27 2fki h GLN 102 N -0.48 0.38 -0.51 1.69 3.07 -1.55 -1.80 115.11 115.91 2fki h GLN 102 Ca 0.00 -0.02 -0.06 0.00 0.09 0.00 0.00 58.65 58.66 2fki h GLN 102 Cb 0.45 -0.09 -0.02 0.00 0.08 0.00 0.00 27.48 27.91 2fki h GLN 102 CO -0.07 0.26 0.08 0.00 0.09 0.00 0.00 178.83 179.20 2fki h ALA 103 N 1.81 0.68 -0.51 0.06 0.00 -1.27 -2.78 119.26 117.25 2fki h ALA 103 Ca 0.11 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2fki h ALA 103 Cb -0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2fki h ALA 103 CO -0.02 0.41 0.15 0.28 0.00 0.00 0.00 179.25 180.07 2fki h VAL 104 N 0.73 1.21 0.00 0.00 2.07 -0.46 -1.57 116.25 118.22 2fki h VAL 104 Ca 0.16 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2fki h VAL 104 Cb 0.40 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2fki h VAL 104 CO 0.01 0.27 0.00 0.78 0.02 0.00 0.00 177.57 178.65 2fki h ASN 105 N 0.74 0.00 0.07 0.57 2.35 -1.19 -1.74 115.58 116.38 2fki h ASN 105 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2fki h ASN 105 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2fki h ASN 105 CO -0.01 0.00 -0.67 0.18 -1.65 0.00 0.00 177.43 175.29 2fki n LEU 106 N -2.52 1.34 -4.83 1.61 4.77 -0.62 -4.96 117.00 111.79 2fki n LEU 106 Ca 0.01 -0.52 -0.34 0.00 -0.03 0.00 0.00 56.01 55.14 2fki n LEU 106 Cb 0.23 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 2fki n LEU 106 CO 0.21 0.28 0.48 -0.76 -1.33 0.00 0.00 177.39 176.27 2fki s LEU 107 N -2.75 4.12 0.98 2.23 1.43 -0.66 -5.05 118.68 118.99 2fki s LEU 107 Ca 0.14 1.43 -0.11 0.00 -1.03 0.00 0.00 54.13 54.56 2fki s LEU 107 Cb 0.17 -4.05 0.18 0.00 0.03 0.00 0.00 46.19 42.53 2fki s LEU 107 CO 0.70 -0.17 1.10 -2.16 0.23 0.00 0.00 176.35 176.05 2fki s PRO 108 N -2.72 0.52 0.16 1.29 0.04 -1.26 -4.78 135.00 128.25 2fki s PRO 108 Ca 0.53 1.24 -0.15 0.00 0.04 0.00 0.00 61.00 62.66 2fki s PRO 108 Cb -0.12 -1.69 0.08 0.00 0.04 0.00 0.00 34.50 32.80 2fki s PRO 108 CO 0.18 -2.87 1.77 1.49 0.04 0.00 0.00 177.00 177.61 2fki h GLU 109 N -2.03 0.37 -0.59 4.56 4.57 -1.97 -2.14 114.58 117.36 2fki h GLU 109 Ca -0.49 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 57.69 2fki h GLU 109 Cb 1.29 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.75 2fki h GLU 109 CO 0.46 0.25 0.36 1.49 -1.18 0.00 0.00 179.01 180.38 2fki h GLU 110 N 0.39 0.68 -0.06 1.92 4.22 -2.01 -2.71 114.58 117.00 2fki h GLU 110 Ca 0.18 -0.04 -0.19 0.00 0.08 0.00 0.00 59.36 59.39 2fki h GLU 110 Cb 0.11 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 2fki h GLU 110 CO -0.14 0.45 -0.77 0.87 -2.18 0.00 0.00 179.01 177.24 2fki h LYS 111 N 0.70 0.38 -0.43 1.92 6.56 -1.86 -2.99 116.57 120.85 2fki h LYS 111 Ca 0.24 -0.33 0.02 0.00 -1.06 0.00 0.00 60.65 59.51 2fki h LYS 111 Cb 0.03 0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 31.75 2fki h LYS 111 CO -0.11 0.98 0.29 0.00 -2.06 0.00 0.00 179.45 178.55 2fki h ARG 112 N 0.25 0.52 -0.66 3.15 3.08 -1.09 -0.69 114.38 118.95 2fki h ARG 112 Ca -0.04 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 2fki h ARG 112 Cb 1.36 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 2fki h ARG 112 CO 0.13 0.34 0.19 0.87 -1.07 0.00 0.00 179.97 180.44 2fki h LYS 113 N 0.53 1.01 -0.33 0.04 1.79 -1.35 -3.01 116.57 115.26 2fki h LYS 113 Ca 0.17 -0.21 -0.18 0.00 -2.18 0.00 0.00 60.65 58.25 2fki h LYS 113 Cb 0.01 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.51 2fki h LYS 113 CO -0.04 0.87 -0.49 -0.07 -1.08 0.00 0.00 179.45 178.64 2fki h LEU 114 N 0.97 0.99 -1.54 2.94 3.38 -1.16 -2.98 115.31 117.92 2fki h LEU 114 Ca 0.21 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2fki h LEU 114 Cb 0.29 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2fki h LEU 114 CO -0.01 1.31 0.27 -0.07 0.09 0.00 0.00 178.44 180.03 2fki h LEU 115 N 0.71 0.51 -0.44 1.67 3.38 -1.14 -0.95 115.31 119.05 2fki h LEU 115 Ca 0.03 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 2fki h LEU 115 Cb 1.10 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2fki h LEU 115 CO 0.11 0.38 -0.51 0.58 0.09 0.00 0.00 178.44 179.10 2fki h VAL 116 N 0.59 1.30 -0.28 1.22 2.07 -1.47 -3.24 116.25 116.44 2fki h VAL 116 Ca 0.16 -1.72 -0.03 0.00 0.82 0.00 0.00 66.70 65.94 2fki h VAL 116 Cb -0.04 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2fki h VAL 116 CO -0.03 0.55 0.07 -0.61 0.02 0.00 0.00 177.57 177.57 2fki h GLN 117 N 0.56 0.44 0.00 1.57 -0.00 -1.11 -3.53 115.11 113.05 2fki h GLN 117 Ca 0.02 -0.10 0.00 0.00 -0.00 0.00 0.00 58.65 58.57 2fki h GLN 117 Cb 1.08 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.50 2fki h GLN 117 CO 0.11 0.52 0.00 1.28 0.00 0.00 0.00 178.83 180.74