#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfb n GLY 2 N 0.00 -1.65 3.11 1.08 0.00 -1.26 -4.25 105.19 102.22 2kfb n GLY 2 Ca 0.00 -0.62 0.05 0.00 0.00 0.00 0.00 46.02 45.45 2kfb n GLY 2 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kfb s LYS 3 N -3.51 0.18 0.34 1.61 2.20 -1.21 -4.54 119.74 114.81 2kfb s LYS 3 Ca 0.00 0.14 0.10 0.00 -0.36 0.00 0.00 55.97 55.85 2kfb s LYS 3 Cb 0.00 0.07 -0.06 0.00 -1.51 0.00 0.00 37.83 36.33 2kfb s LYS 3 CO 0.00 -0.33 -0.11 0.96 -0.36 0.00 0.00 175.35 175.51 2kfb s ILE 4 N 2.84 2.26 -0.15 5.43 -0.00 -1.07 -1.79 121.20 128.72 2kfb s ILE 4 Ca 0.25 -2.23 0.00 0.00 -0.00 0.00 0.00 60.65 58.68 2kfb s ILE 4 Cb -0.02 -2.61 0.02 0.00 -0.00 0.00 0.00 42.46 39.85 2kfb s ILE 4 CO -0.22 -0.22 -0.15 -0.89 -0.00 0.00 0.00 174.94 173.46 2kfb s THR 5 N -2.60 1.61 -0.15 8.37 2.01 0.16 -1.91 115.64 123.13 2kfb s THR 5 Ca 0.32 -0.66 -0.06 0.00 0.31 0.00 0.00 61.69 61.61 2kfb s THR 5 Cb 0.02 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 2kfb s THR 5 CO 0.16 0.46 0.05 -0.76 -0.69 0.00 0.00 174.62 173.85 2kfb s LEU 6 N 1.47 3.82 -0.15 4.42 1.43 0.62 -0.72 118.68 129.58 2kfb s LEU 6 Ca 0.05 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 2kfb s LEU 6 Cb -0.13 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 2kfb s LEU 6 CO -0.11 0.26 -0.15 -0.31 0.23 0.00 0.00 176.35 176.27 2kfb s TYR 7 N -0.15 2.77 0.45 0.29 1.51 -0.95 -0.51 117.35 120.77 2kfb s TYR 7 Ca 0.07 -0.97 0.20 0.00 -1.01 0.00 0.00 57.07 55.36 2kfb s TYR 7 Cb -0.12 -1.87 1.16 0.00 -0.11 0.00 0.00 41.96 41.02 2kfb s TYR 7 CO 0.01 -0.42 1.89 1.49 -1.11 0.00 0.00 175.55 177.41 2kfb h GLU 8 N 7.16 0.31 -6.17 -0.62 4.81 -0.49 -2.55 114.58 117.03 2kfb h GLU 8 Ca -0.30 -0.02 -0.56 0.00 -0.13 0.00 0.00 59.36 58.35 2kfb h GLU 8 Cb 1.20 -0.07 -0.09 0.00 0.63 0.00 0.00 28.75 30.41 2kfb h GLU 8 CO 0.56 0.20 -0.63 0.34 -0.73 0.00 0.00 179.01 178.75 2kfb s ASP 9 N -5.77 4.49 1.22 1.04 2.15 -1.24 -3.02 116.67 115.55 2kfb s ASP 9 Ca -0.07 -0.71 -0.14 0.00 0.43 0.00 0.00 52.55 52.06 2kfb s ASP 9 Cb 0.22 -0.78 0.21 0.00 -0.30 0.00 0.00 42.92 42.27 2kfb s ASP 9 CO 0.77 -0.07 0.60 -2.11 -0.17 0.00 0.00 175.17 174.19 2kfb n ARG 10 N -0.93 -2.99 -1.98 4.34 1.85 -1.26 -3.04 116.66 112.64 2kfb n ARG 10 Ca -0.06 -0.98 -0.05 0.00 -1.00 0.00 0.00 57.85 55.77 2kfb n ARG 10 Cb 0.60 -1.06 -0.01 0.00 -1.05 0.00 0.00 32.46 30.93 2kfb n ARG 10 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2kfb n GLY 11 N -2.66 -0.14 3.41 2.89 0.00 -0.78 -1.43 105.19 106.48 2kfb n GLY 11 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 2kfb n GLY 11 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kfb n PHE 12 N -2.28 -2.53 -2.98 1.61 3.72 -1.24 -5.01 117.46 108.75 2kfb n PHE 12 Ca -0.05 0.99 0.00 0.00 -0.05 0.00 0.00 57.45 58.34 2kfb n PHE 12 Cb 0.40 -3.46 0.00 0.00 -0.94 0.00 0.00 39.48 35.48 2kfb n PHE 12 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2kfb n GLN 13 N -2.18 1.31 0.00 -1.08 6.02 -0.52 -5.05 117.38 115.89 2kfb n GLN 13 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 2kfb n GLN 13 Cb 0.59 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.85 2kfb n GLN 13 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kfb n GLY 14 N 1.64 0.84 3.77 1.08 0.00 -1.26 -3.61 105.19 107.65 2kfb n GLY 14 Ca 0.00 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 2kfb n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kfb s ARG 15 N 0.00 3.74 0.06 1.61 0.52 -1.26 -4.81 118.95 118.81 2kfb s ARG 15 Ca 0.00 1.84 0.02 0.00 -0.52 0.00 0.00 55.73 57.06 2kfb s ARG 15 Cb 0.00 -2.43 -0.03 0.00 0.52 0.00 0.00 34.95 33.01 2kfb s ARG 15 CO 0.00 -0.59 -0.07 -3.38 0.02 0.00 0.00 175.30 171.29 2kfb s HIS 16 N -1.50 0.68 -0.08 -0.53 -3.43 -1.26 0.10 115.29 109.27 2kfb s HIS 16 Ca 0.63 -0.67 -0.10 0.00 -0.80 0.00 0.00 55.06 54.13 2kfb s HIS 16 Cb -0.30 -0.41 0.02 0.00 -1.43 0.00 0.00 32.58 30.46 2kfb s HIS 16 CO 0.37 -0.14 0.26 -0.47 -2.00 0.00 0.00 174.74 172.76 2kfb s TYR 17 N -2.26 -0.25 -0.19 0.38 5.04 0.34 -4.99 117.35 115.41 2kfb s TYR 17 Ca -0.03 0.60 -0.04 0.00 -2.44 0.00 0.00 57.07 55.17 2kfb s TYR 17 Cb -0.04 0.09 -0.02 0.00 0.35 0.00 0.00 41.96 42.34 2kfb s TYR 17 CO -0.02 -0.18 -0.03 -2.00 -1.34 0.00 0.00 175.55 171.98 2kfb s GLU 18 N -0.13 3.53 -0.16 4.97 2.12 -1.26 -0.28 118.70 127.50 2kfb s GLU 18 Ca -0.03 -0.57 -0.01 0.00 0.36 0.00 0.00 54.97 54.73 2kfb s GLU 18 Cb -0.03 -2.98 -0.01 0.00 0.26 0.00 0.00 34.13 31.37 2kfb s GLU 18 CO 0.01 0.01 -0.12 0.00 -0.54 0.00 0.00 175.26 174.62 2kfb n SER 20 N 3.94 2.26 -3.83 0.00 2.88 -1.26 -2.59 113.62 115.02 2kfb n SER 20 Ca -0.18 -1.99 -0.09 0.00 -1.33 0.00 0.00 58.87 55.27 2kfb n SER 20 Cb 0.52 -0.07 -0.04 0.00 -0.75 0.00 0.00 64.21 63.87 2kfb n SER 20 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kfb s SER 21 N -0.99 -0.19 0.35 -3.46 0.01 -1.26 -4.56 113.70 103.59 2kfb s SER 21 Ca 0.07 -0.63 -0.29 0.00 1.31 0.00 0.00 55.95 56.41 2kfb s SER 21 Cb 0.04 0.58 -0.11 0.00 0.21 0.00 0.00 66.02 66.73 2kfb s SER 21 CO 0.05 -1.08 1.50 0.47 0.41 0.00 0.00 173.24 174.58 2kfb n ASP 22 N -0.35 3.70 -4.04 2.44 8.00 -1.26 -4.64 116.55 120.40 2kfb n ASP 22 Ca -0.07 1.20 -0.18 0.00 0.71 0.00 0.00 54.79 56.45 2kfb n ASP 22 Cb 0.62 -1.60 -0.14 0.00 -0.02 0.00 0.00 41.12 39.98 2kfb n ASP 22 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2kfb s HIS 23 N -0.82 0.82 -0.51 1.24 3.76 0.15 -4.97 115.29 114.97 2kfb s HIS 23 Ca 0.56 -0.22 0.11 0.00 -0.15 0.00 0.00 55.06 55.36 2kfb s HIS 23 Cb -0.49 -0.51 -0.12 0.00 1.11 0.00 0.00 32.58 32.57 2kfb s HIS 23 CO 0.60 -0.01 0.46 0.25 -0.85 0.00 0.00 174.74 175.18 2kfb n THR 24 N 2.53 0.00 -3.41 1.30 -2.24 -1.26 -2.33 114.28 108.87 2kfb n THR 24 Ca -0.15 -0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.36 2kfb n THR 24 Cb 0.56 0.99 -0.05 0.00 -2.10 0.00 0.00 70.33 69.74 2kfb n THR 24 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2kfb s ASN 25 N -2.03 -0.80 0.00 3.42 2.47 -1.25 -1.65 114.94 115.10 2kfb s ASN 25 Ca 0.04 0.96 0.04 0.00 0.42 0.00 0.00 52.86 54.31 2kfb s ASN 25 Cb 0.08 1.85 0.04 0.00 -1.45 0.00 0.00 41.25 41.77 2kfb s ASN 25 CO 0.44 -0.25 0.68 0.18 -3.72 0.00 0.00 177.10 174.43 2kfb n LEU 26 N 5.42 1.43 -0.28 3.21 4.77 0.10 -4.70 117.00 126.95 2kfb n LEU 26 Ca -0.06 -1.13 0.05 0.00 -0.03 0.00 0.00 56.01 54.85 2kfb n LEU 26 Cb 0.50 -0.01 0.19 0.00 -2.33 0.00 0.00 43.42 41.77 2kfb n LEU 26 CO 0.01 0.32 1.08 1.56 -1.33 0.00 0.00 177.39 179.04 2kfb h GLN 27 N 0.72 0.58 -0.44 3.23 4.20 -1.68 1.36 115.11 123.07 2kfb h GLN 27 Ca 0.00 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.71 2kfb h GLN 27 Cb 0.21 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 2kfb h GLN 27 CO 0.00 0.38 0.30 -1.35 -0.67 0.00 0.00 178.83 177.49 2kfb h PRO 28 N 0.60 0.43 0.00 1.46 0.11 -1.95 -3.26 132.00 129.39 2kfb h PRO 28 Ca 0.42 -0.03 -0.25 0.00 0.11 0.00 0.00 66.00 66.25 2kfb h PRO 28 Cb 0.55 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.53 2kfb h PRO 28 CO -0.34 0.29 -1.61 0.66 -0.21 0.00 0.00 178.00 176.79 2kfb n TYR 29 N -4.48 0.44 -4.76 0.65 4.01 0.10 -4.94 117.16 108.19 2kfb n TYR 29 Ca 0.05 0.19 -0.33 0.00 -0.16 0.00 0.00 57.90 57.66 2kfb n TYR 29 Cb 0.18 -0.92 -0.15 0.00 -0.31 0.00 0.00 39.34 38.14 2kfb n TYR 29 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2kfb s LEU 30 N -7.79 2.43 0.00 7.72 1.43 0.44 -4.88 118.68 118.04 2kfb s LEU 30 Ca -0.31 -0.46 0.24 0.00 -1.03 0.00 0.00 54.13 52.57 2kfb s LEU 30 Cb 0.09 -1.53 0.30 0.00 0.03 0.00 0.00 46.19 45.07 2kfb s LEU 30 CO 0.47 0.12 1.27 -0.24 0.23 0.00 0.00 176.35 178.20 2kfb n SER 31 N 3.80 1.16 0.11 2.29 2.88 -1.26 -3.51 113.62 119.09 2kfb n SER 31 Ca -0.19 -0.93 0.00 0.00 -1.33 0.00 0.00 58.87 56.42 2kfb n SER 31 Cb 0.52 0.43 0.00 0.00 -0.75 0.00 0.00 64.21 64.41 2kfb n SER 31 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2kfb n ARG 32 N -0.86 0.00 -2.69 -1.46 0.63 -1.26 -4.90 116.66 106.12 2kfb n ARG 32 Ca 0.08 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.94 2kfb n ARG 32 Cb 0.37 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.29 2kfb n ARG 32 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kfb n ASN 34 N -0.32 2.45 -3.52 0.00 3.02 -0.96 -4.80 115.26 111.13 2kfb n ASN 34 Ca 0.11 -1.82 -0.12 0.00 -0.03 0.00 0.00 54.58 52.71 2kfb n ASN 34 Cb 0.41 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.42 2kfb n ASN 34 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2kfb s SER 35 N -1.66 -0.44 0.05 6.41 1.04 -1.22 0.79 113.70 118.68 2kfb s SER 35 Ca 0.34 -0.07 -0.20 0.00 0.48 0.00 0.00 55.95 56.50 2kfb s SER 35 Cb 0.20 0.54 0.05 0.00 0.10 0.00 0.00 66.02 66.91 2kfb s SER 35 CO 0.29 -0.89 0.48 0.00 0.98 0.00 0.00 173.24 174.10 2kfb s ALA 36 N -3.54 -1.19 -0.06 5.32 0.00 0.13 -2.24 121.76 120.17 2kfb s ALA 36 Ca 0.01 0.45 -0.00 0.00 0.00 0.00 0.00 51.96 52.41 2kfb s ALA 36 Cb 0.00 0.40 0.03 0.00 0.00 0.00 0.00 23.12 23.55 2kfb s ALA 36 CO -0.11 -0.50 -0.02 1.03 0.00 0.00 0.00 175.76 176.16 2kfb s ARG 37 N -2.58 0.73 -0.12 0.00 0.52 0.10 0.32 118.95 117.92 2kfb s ARG 37 Ca -0.05 0.00 -0.02 0.00 -0.52 0.00 0.00 55.73 55.14 2kfb s ARG 37 Cb -0.01 -0.92 -0.03 0.00 0.52 0.00 0.00 34.95 34.52 2kfb s ARG 37 CO -0.03 -0.20 -0.04 0.08 0.02 0.00 0.00 175.30 175.13 2kfb s VAL 38 N 1.47 3.94 -0.21 3.52 1.01 -0.32 0.39 120.40 130.20 2kfb s VAL 38 Ca -0.02 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 2kfb s VAL 38 Cb -0.13 -2.68 -0.19 0.00 0.00 0.00 0.00 36.38 33.37 2kfb s VAL 38 CO -0.03 0.54 0.01 -0.67 0.00 0.00 0.00 175.10 174.95 2kfb n ASP 39 N 2.92 2.01 -3.47 3.32 -0.08 -0.74 -2.93 116.55 117.58 2kfb n ASP 39 Ca -0.18 0.15 -0.14 0.00 -1.51 0.00 0.00 54.79 53.11 2kfb n ASP 39 Cb 0.53 -0.72 -0.04 0.00 2.34 0.00 0.00 41.12 43.23 2kfb n ASP 39 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2kfb s SER 40 N -6.92 -0.58 0.00 1.67 1.04 -1.26 -4.87 113.70 102.77 2kfb s SER 40 Ca -0.31 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2kfb s SER 40 Cb 0.09 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.78 2kfb s SER 40 CO 0.63 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.63 2kfb n GLY 41 N 0.08 -1.21 3.56 7.32 0.00 -1.26 -3.35 105.19 110.33 2kfb n GLY 41 Ca -0.18 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 43.91 2kfb n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfb s TRP 43 N -0.90 1.18 -0.05 0.00 0.52 -0.77 -2.73 118.94 116.20 2kfb s TRP 43 Ca 0.15 -0.48 0.03 0.00 0.02 0.00 0.00 56.10 55.82 2kfb s TRP 43 Cb -0.11 -0.66 0.00 0.00 -1.15 0.00 0.00 33.47 31.55 2kfb s TRP 43 CO 0.05 0.05 -0.13 1.41 0.02 0.00 0.00 176.95 178.34 2kfb s MET 44 N -1.82 1.57 -0.09 4.98 1.75 -0.91 -0.13 119.30 124.65 2kfb s MET 44 Ca -0.02 -0.46 -0.00 0.00 -1.25 0.00 0.00 55.69 53.96 2kfb s MET 44 Cb -0.09 -1.35 -0.03 0.00 2.84 0.00 0.00 34.83 36.20 2kfb s MET 44 CO 0.02 0.13 -0.06 -0.51 -0.65 0.00 0.00 175.02 173.95 2kfb s LEU 45 N 0.33 3.21 -0.13 4.11 1.43 -1.05 -1.17 118.68 125.41 2kfb s LEU 45 Ca -0.08 -0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2kfb s LEU 45 Cb -0.13 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 2kfb s LEU 45 CO 0.02 0.32 -0.07 -0.31 0.23 0.00 0.00 176.35 176.54 2kfb s TYR 46 N -0.54 2.94 0.39 0.29 1.51 -0.76 -2.01 117.35 119.16 2kfb s TYR 46 Ca 0.08 -0.34 0.06 0.00 -1.01 0.00 0.00 57.07 55.86 2kfb s TYR 46 Cb -0.12 -1.87 0.78 0.00 -0.11 0.00 0.00 41.96 40.64 2kfb s TYR 46 CO 0.02 -0.02 2.02 1.05 -1.11 0.00 0.00 175.55 177.52 2kfb h GLU 47 N 6.40 0.66 -6.38 -0.62 4.11 -1.45 -3.04 114.58 114.26 2kfb h GLU 47 Ca -0.33 -0.04 -0.63 0.00 0.07 0.00 0.00 59.36 58.43 2kfb h GLU 47 Cb 1.19 -0.15 -0.12 0.00 0.50 0.00 0.00 28.75 30.18 2kfb h GLU 47 CO 0.58 0.43 -0.67 -0.65 0.07 0.00 0.00 179.01 178.78 2kfb s GLN 48 N -5.59 2.41 0.80 1.06 -0.21 -0.52 -3.46 119.66 114.15 2kfb s GLN 48 Ca -0.09 -1.01 -0.13 0.00 0.02 0.00 0.00 55.36 54.16 2kfb s GLN 48 Cb 0.18 -2.41 0.08 0.00 1.00 0.00 0.00 33.01 31.86 2kfb s GLN 48 CO 0.75 0.49 1.17 -1.25 -2.12 0.00 0.00 175.29 174.32 2kfb s PRO 49 N -2.63 1.78 -1.21 2.91 0.04 -1.26 -2.77 135.00 131.86 2kfb s PRO 49 Ca 0.26 1.59 -0.04 0.00 0.04 0.00 0.00 61.00 62.84 2kfb s PRO 49 Cb -0.10 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2kfb s PRO 49 CO 0.18 -2.07 0.56 0.09 0.04 0.00 0.00 177.00 175.79 2kfb n ASN 50 N -3.37 -5.23 -3.21 6.66 5.03 -0.66 -3.75 115.26 110.74 2kfb n ASN 50 Ca 0.12 -0.26 -0.17 0.00 0.87 0.00 0.00 54.58 55.14 2kfb n ASN 50 Cb 0.51 -4.03 0.01 0.00 -1.02 0.00 0.00 39.78 35.25 2kfb n ASN 50 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2kfb n TYR 51 N -4.29 -2.96 -3.89 3.10 4.01 -1.24 -5.03 117.16 106.86 2kfb n TYR 51 Ca -0.07 1.19 -0.10 0.00 -0.16 0.00 0.00 57.90 58.76 2kfb n TYR 51 Cb 0.59 -3.30 -0.09 0.00 -0.31 0.00 0.00 39.34 36.23 2kfb n TYR 51 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2kfb s SER 52 N -2.46 0.12 0.00 7.72 0.01 -1.12 -5.05 113.70 112.93 2kfb s SER 52 Ca 0.19 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.99 2kfb s SER 52 Cb -0.04 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.45 2kfb s SER 52 CO 0.81 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 174.54 2kfb n GLY 53 N 0.73 -0.26 3.77 3.44 0.00 -1.26 -1.44 105.19 110.17 2kfb n GLY 53 Ca -0.19 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 2kfb n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kfb s LEU 54 N 0.00 4.37 0.15 0.99 2.96 -1.26 -4.85 118.68 121.04 2kfb s LEU 54 Ca 0.00 2.14 0.11 0.00 -0.22 0.00 0.00 54.13 56.15 2kfb s LEU 54 Cb 0.00 -3.88 -0.04 0.00 0.50 0.00 0.00 46.19 42.77 2kfb s LEU 54 CO 0.00 -0.27 -0.24 0.00 -1.32 0.00 0.00 176.35 174.51 2kfb s GLN 55 N -1.90 1.39 -0.09 1.98 -2.07 -1.26 -1.90 119.66 115.81 2kfb s GLN 55 Ca 0.50 -1.39 0.01 0.00 -1.82 0.00 0.00 55.36 52.66 2kfb s GLN 55 Cb -0.27 -1.76 0.02 0.00 -1.09 0.00 0.00 33.01 29.90 2kfb s GLN 55 CO 0.34 0.40 -0.11 0.71 -1.32 0.00 0.00 175.29 175.31 2kfb s TYR 56 N -1.37 1.51 -0.19 9.60 2.02 -0.85 -4.55 117.35 123.52 2kfb s TYR 56 Ca 0.15 -0.65 -0.25 0.00 -0.37 0.00 0.00 57.07 55.96 2kfb s TYR 56 Cb -0.09 -1.16 -0.01 0.00 -0.40 0.00 0.00 41.96 40.30 2kfb s TYR 56 CO 0.07 -0.38 0.83 0.12 -1.57 0.00 0.00 175.55 174.62 2kfb s PHE 57 N 1.08 3.39 0.06 2.71 5.36 -1.26 -2.53 117.98 126.79 2kfb s PHE 57 Ca -0.07 1.23 0.08 0.00 -0.96 0.00 0.00 56.93 57.21 2kfb s PHE 57 Cb -0.14 -3.02 -0.03 0.00 -0.34 0.00 0.00 43.02 39.48 2kfb s PHE 57 CO -0.01 -0.28 -0.20 -0.51 -1.46 0.00 0.00 175.22 172.75 2kfb s LEU 58 N 2.33 2.51 0.16 6.12 1.02 0.81 -4.93 118.68 126.70 2kfb s LEU 58 Ca 0.37 -0.50 0.04 0.00 0.02 0.00 0.00 54.13 54.06 2kfb s LEU 58 Cb -0.16 -1.45 -0.05 0.00 0.02 0.00 0.00 46.19 44.55 2kfb s LEU 58 CO 0.11 0.24 -0.09 -0.13 0.02 0.00 0.00 176.35 176.50 2kfb s ARG 59 N -1.55 1.09 -0.19 1.70 0.52 -1.26 -1.84 118.95 117.41 2kfb s ARG 59 Ca 0.14 -1.48 -0.37 0.00 -0.52 0.00 0.00 55.73 53.50 2kfb s ARG 59 Cb -0.10 -0.60 -0.17 0.00 0.52 0.00 0.00 34.95 34.60 2kfb s ARG 59 CO 0.05 0.05 1.13 -2.13 0.02 0.00 0.00 175.30 174.42 2kfb n ARG 60 N -0.22 0.00 -3.34 3.54 0.63 -1.24 -4.79 116.66 111.23 2kfb n ARG 60 Ca -0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 2kfb n ARG 60 Cb 0.61 -1.29 0.00 0.00 0.45 0.00 0.00 32.46 32.23 2kfb n ARG 60 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kfb n GLY 61 N 2.26 -2.09 3.22 5.14 0.00 -1.15 -5.00 105.19 107.57 2kfb n GLY 61 Ca 0.22 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 2kfb n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kfb s ASP 62 N -0.63 3.45 -0.25 1.61 1.01 -1.26 -1.18 116.67 119.41 2kfb s ASP 62 Ca 0.00 -0.53 0.00 0.00 0.71 0.00 0.00 52.55 52.73 2kfb s ASP 62 Cb 0.00 -1.52 0.04 0.00 1.01 0.00 0.00 42.92 42.45 2kfb s ASP 62 CO 0.00 0.07 -0.08 -0.31 0.21 0.00 0.00 175.17 175.06 2kfb s TYR 63 N 0.88 3.13 -2.17 4.23 2.02 0.15 -4.96 117.35 120.62 2kfb s TYR 63 Ca -0.05 -1.87 0.26 0.00 -0.37 0.00 0.00 57.07 55.05 2kfb s TYR 63 Cb -0.15 -2.01 0.65 0.00 -0.40 0.00 0.00 41.96 40.05 2kfb s TYR 63 CO -0.02 -0.80 1.51 0.00 -1.57 0.00 0.00 175.55 174.67 2kfb n ALA 64 N 4.58 2.94 -3.22 3.71 0.00 -1.26 0.17 120.51 127.42 2kfb n ALA 64 Ca -0.16 -0.49 -0.13 0.00 0.00 0.00 0.00 53.44 52.67 2kfb n ALA 64 Cb 0.45 -1.05 -0.11 0.00 0.00 0.00 0.00 19.45 18.74 2kfb n ALA 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kfb s ASP 65 N -2.29 -0.30 0.20 0.00 1.01 -1.21 -1.86 116.67 112.22 2kfb s ASP 65 Ca 0.28 0.58 -0.11 0.00 0.71 0.00 0.00 52.55 54.01 2kfb s ASP 65 Cb 0.20 0.58 0.15 0.00 1.01 0.00 0.00 42.92 44.86 2kfb s ASP 65 CO 0.45 -0.11 1.85 1.12 0.21 0.00 0.00 175.17 178.69 2kfb h HIS 66 N 5.81 0.81 0.00 4.23 2.07 0.07 -0.88 115.15 127.25 2kfb h HIS 66 Ca -0.27 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.27 2kfb h HIS 66 Cb 1.19 -0.27 0.00 0.00 2.57 0.00 0.00 27.41 30.90 2kfb h HIS 66 CO 0.40 0.48 0.22 1.04 -3.07 0.00 0.00 177.93 177.00 2kfb n GLN 67 N -4.66 0.00 0.08 5.12 1.13 -1.26 -0.30 117.38 117.50 2kfb n GLN 67 Ca 0.06 0.25 -0.17 0.00 -1.94 0.00 0.00 57.00 55.21 2kfb n GLN 67 Cb 0.05 -1.72 -0.14 0.00 0.11 0.00 0.00 30.24 28.54 2kfb n GLN 67 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 2kfb h GLN 68 N 0.00 0.27 -0.69 -1.09 1.08 -1.49 -3.25 115.11 109.94 2kfb h GLN 68 Ca 0.00 -0.46 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 2kfb h GLN 68 Cb 0.44 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 2kfb h GLN 68 CO 0.00 1.17 0.00 -2.67 -0.95 0.00 0.00 178.83 176.38 2kfb n TRP 69 N -3.49 0.98 -0.98 2.96 2.14 0.59 -4.82 117.44 114.82 2kfb n TRP 69 Ca -0.13 -0.36 0.00 0.00 2.07 0.00 0.00 57.50 59.08 2kfb n TRP 69 Cb 1.04 -0.25 0.00 0.00 -0.81 0.00 0.00 31.31 31.29 2kfb n TRP 69 CO 0.00 0.00 0.00 -1.33 2.07 0.00 0.00 177.69 178.43 2kfb n MET 70 N 0.40 0.00 -1.60 -2.67 2.81 -1.21 -4.44 117.12 110.40 2kfb n MET 70 Ca 0.14 0.32 -0.37 0.00 -1.81 0.00 0.00 57.70 55.98 2kfb n MET 70 Cb 0.66 -3.58 -0.03 0.00 -0.71 0.00 0.00 33.22 29.56 2kfb n MET 70 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2kfb s GLY 71 N -2.64 -0.31 0.17 3.03 0.00 -0.80 -4.75 107.32 102.02 2kfb s GLY 71 Ca 0.00 0.03 0.09 0.00 0.00 0.00 0.00 44.72 44.83 2kfb s GLY 71 CO 0.00 4.05 1.36 1.41 0.00 0.00 0.00 173.10 179.92 2kfb h LEU 72 N 18.99 0.00 -7.66 0.66 3.38 -1.92 -3.36 115.31 125.40 2kfb h LEU 72 Ca -0.26 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.23 2kfb h LEU 72 Cb 1.26 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.64 2kfb h LEU 72 CO 1.15 0.88 -0.79 -0.94 0.09 0.00 0.00 178.44 178.82 2kfb s SER 73 N -6.70 1.84 0.00 -0.43 1.04 -1.26 -5.01 113.70 103.19 2kfb s SER 73 Ca 0.01 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2kfb s SER 73 Cb 0.10 -0.68 0.00 0.00 0.10 0.00 0.00 66.02 65.55 2kfb s SER 73 CO 0.80 -0.12 0.95 -0.90 0.98 0.00 0.00 173.24 174.95 2kfb n ASP 74 N 4.84 2.63 -3.77 7.02 5.75 -1.26 -4.40 116.55 127.35 2kfb n ASP 74 Ca -0.13 -1.58 -0.34 0.00 -0.01 0.00 0.00 54.79 52.73 2kfb n ASP 74 Cb 0.50 -0.52 -0.05 0.00 -1.03 0.00 0.00 41.12 40.02 2kfb n ASP 74 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2kfb n SER 75 N 1.28 4.68 -4.56 -1.12 3.41 -1.26 -4.75 113.62 111.29 2kfb n SER 75 Ca 0.00 -3.36 -0.39 0.00 -0.26 0.00 0.00 58.87 54.86 2kfb n SER 75 Cb 0.30 -0.95 -0.11 0.00 -0.26 0.00 0.00 64.21 63.20 2kfb n SER 75 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2kfb s VAL 76 N -2.30 5.29 0.00 -3.33 1.01 -1.25 -4.03 120.40 115.79 2kfb s VAL 76 Ca 0.34 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2kfb s VAL 76 Cb 0.06 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2kfb s VAL 76 CO -0.01 0.13 0.65 0.54 0.00 0.00 0.00 175.10 176.41 2kfb n ARG 77 N 5.10 0.81 -3.55 2.72 1.74 -1.15 -4.53 116.66 117.80 2kfb n ARG 77 Ca -0.13 -0.85 -0.08 0.00 -0.77 0.00 0.00 57.85 56.02 2kfb n ARG 77 Cb 0.51 -0.89 -0.02 0.00 -1.02 0.00 0.00 32.46 31.04 2kfb n ARG 77 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2kfb s SER 78 N -0.40 -0.37 -0.08 0.55 0.01 -1.21 0.03 113.70 112.22 2kfb s SER 78 Ca 0.00 -0.10 -0.21 0.00 1.31 0.00 0.00 55.95 56.95 2kfb s SER 78 Cb 0.00 0.47 0.05 0.00 0.21 0.00 0.00 66.02 66.75 2kfb s SER 78 CO 0.00 -0.79 0.49 0.00 0.41 0.00 0.00 173.24 173.36 2kfb s ARG 80 N -0.76 0.96 -0.16 0.00 1.70 -0.31 0.31 118.95 120.69 2kfb s ARG 80 Ca -0.08 -1.07 -0.09 0.00 -0.47 0.00 0.00 55.73 54.02 2kfb s ARG 80 Cb -0.03 -1.05 -0.05 0.00 -0.57 0.00 0.00 34.95 33.26 2kfb s ARG 80 CO 0.05 0.23 0.15 -1.17 -1.08 0.00 0.00 175.30 173.48 2kfb s LEU 81 N -1.89 4.30 -0.13 -1.89 2.96 -1.26 -2.13 118.68 118.63 2kfb s LEU 81 Ca 0.02 0.37 -0.15 0.00 -0.22 0.00 0.00 54.13 54.16 2kfb s LEU 81 Cb -0.09 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 2kfb s LEU 81 CO 0.03 0.28 0.35 -0.63 -1.32 0.00 0.00 176.35 175.06 2kfb s ILE 82 N -0.27 5.25 0.48 6.68 1.01 -1.10 -4.86 121.20 128.39 2kfb s ILE 82 Ca 0.12 0.68 -0.22 0.00 0.00 0.00 0.00 60.65 61.22 2kfb s ILE 82 Cb -0.12 -3.68 -0.07 0.00 0.01 0.00 0.00 42.46 38.60 2kfb s ILE 82 CO 0.01 0.40 1.18 -2.16 0.00 0.00 0.00 174.94 174.38 2kfb s PRO 83 N 0.32 3.64 1.10 2.79 0.04 -1.26 -4.58 135.00 137.04 2kfb s PRO 83 Ca 0.20 1.81 -0.19 0.00 0.04 0.00 0.00 61.00 62.87 2kfb s PRO 83 Cb -0.14 -2.35 0.26 0.00 0.04 0.00 0.00 34.50 32.32 2kfb s PRO 83 CO 0.06 -0.66 1.19 -2.39 0.04 0.00 0.00 177.00 175.24 2kfb n HIS 84 N -0.63 -3.94 -3.59 0.56 1.44 -1.26 -4.73 115.22 103.07 2kfb n HIS 84 Ca 0.08 -1.06 -0.07 0.00 -2.01 0.00 0.00 57.72 54.65 2kfb n HIS 84 Cb 0.48 -1.07 -0.04 0.00 0.12 0.00 0.00 29.99 29.48 2kfb n HIS 84 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2kfb s SER 85 N -5.07 -0.25 -0.03 4.39 0.15 -1.26 -4.87 113.70 106.77 2kfb s SER 85 Ca 0.72 0.21 -0.02 0.00 0.70 0.00 0.00 55.95 57.56 2kfb s SER 85 Cb -0.05 0.22 -0.01 0.00 -1.71 0.00 0.00 66.02 64.48 2kfb s SER 85 CO 0.53 -0.28 -0.03 0.61 1.20 0.00 0.00 173.24 175.27 2kfb n GLY 86 N 0.45 -0.61 3.89 9.45 0.00 -1.26 -4.97 105.19 112.14 2kfb n GLY 86 Ca -0.06 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2kfb n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfb s SER 87 N -3.92 6.52 -0.08 1.61 0.01 -1.26 -5.07 113.70 111.51 2kfb s SER 87 Ca -0.03 0.91 -0.01 0.00 1.31 0.00 0.00 55.95 58.14 2kfb s SER 87 Cb 0.00 -2.23 0.03 0.00 0.21 0.00 0.00 66.02 64.03 2kfb s SER 87 CO 0.04 -0.24 -0.02 -1.00 0.41 0.00 0.00 173.24 172.44 2kfb s HIS 88 N -2.12 0.87 -0.04 2.43 0.09 -1.26 -3.72 115.29 111.54 2kfb s HIS 88 Ca 0.47 -0.32 -0.02 0.00 -0.00 0.00 0.00 55.06 55.19 2kfb s HIS 88 Cb -0.11 -0.91 0.02 0.00 -0.00 0.00 0.00 32.58 31.59 2kfb s HIS 88 CO 0.28 -0.38 0.09 1.03 -0.00 0.00 0.00 174.74 175.77 2kfb s ARG 89 N 1.91 0.06 -0.07 1.40 0.52 -1.14 -4.30 118.95 117.33 2kfb s ARG 89 Ca 0.05 0.23 -0.07 0.00 -0.52 0.00 0.00 55.73 55.42 2kfb s ARG 89 Cb -0.12 -0.11 0.02 0.00 0.52 0.00 0.00 34.95 35.26 2kfb s ARG 89 CO -0.06 -0.10 0.20 -1.50 0.02 0.00 0.00 175.30 173.85 2kfb s ILE 90 N 0.70 0.00 -0.37 1.52 2.07 -0.97 -1.97 121.20 122.18 2kfb s ILE 90 Ca -0.05 -0.03 0.04 0.00 -1.41 0.00 0.00 60.65 59.19 2kfb s ILE 90 Cb -0.07 -0.29 0.11 0.00 0.13 0.00 0.00 42.46 42.33 2kfb s ILE 90 CO -0.03 -0.02 0.09 -0.13 -1.91 0.00 0.00 174.94 172.94 2kfb s ARG 91 N 0.03 1.57 0.26 3.50 0.52 0.37 -1.51 118.95 123.70 2kfb s ARG 91 Ca -0.01 -2.02 -0.29 0.00 -0.52 0.00 0.00 55.73 52.89 2kfb s ARG 91 Cb -0.02 -3.22 -0.09 0.00 0.52 0.00 0.00 34.95 32.14 2kfb s ARG 91 CO 0.00 -0.97 0.96 -0.51 0.02 0.00 0.00 175.30 174.80 2kfb s LEU 92 N 0.67 4.57 -0.07 2.53 1.43 -0.62 -0.95 118.68 126.24 2kfb s LEU 92 Ca 0.12 1.97 0.05 0.00 -1.03 0.00 0.00 54.13 55.24 2kfb s LEU 92 Cb -0.20 -3.69 -0.01 0.00 0.03 0.00 0.00 46.19 42.31 2kfb s LEU 92 CO -0.07 0.07 -0.22 -0.31 0.23 0.00 0.00 176.35 176.06 2kfb s TYR 93 N -1.26 2.54 0.09 0.29 2.02 0.97 -2.04 117.35 119.96 2kfb s TYR 93 Ca 0.43 -0.65 -0.35 0.00 -0.37 0.00 0.00 57.07 56.14 2kfb s TYR 93 Cb -0.25 -1.65 -0.16 0.00 -0.40 0.00 0.00 41.96 39.50 2kfb s TYR 93 CO 0.32 -0.17 1.57 0.93 -1.57 0.00 0.00 175.55 176.63 2kfb h GLU 94 N 6.09 -0.92 -6.34 -0.62 3.07 -1.57 -2.97 114.58 111.32 2kfb h GLU 94 Ca -0.32 0.06 -0.45 0.00 -0.50 0.00 0.00 59.36 58.15 2kfb h GLU 94 Cb 1.18 0.21 0.00 0.00 -0.84 0.00 0.00 28.75 29.30 2kfb h GLU 94 CO 0.49 -0.61 -0.33 1.03 -1.40 0.00 0.00 179.01 178.19 2kfb s ARG 95 N -5.90 3.25 0.81 2.33 0.52 -1.06 -2.12 118.95 116.78 2kfb s ARG 95 Ca -0.18 -0.80 -0.16 0.00 -0.52 0.00 0.00 55.73 54.06 2kfb s ARG 95 Cb 0.05 -2.80 -0.10 0.00 0.52 0.00 0.00 34.95 32.62 2kfb s ARG 95 CO 0.61 0.15 -0.15 0.39 0.02 0.00 0.00 175.30 176.32 2kfb n GLU 96 N -1.63 0.03 0.00 3.54 1.02 -1.24 -3.99 120.64 118.37 2kfb n GLU 96 Ca -0.03 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kfb n GLU 96 Cb 0.57 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 2kfb n GLU 96 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2kfb n ASP 97 N 1.69 0.00 -2.76 1.62 8.00 -0.18 -2.95 116.55 121.97 2kfb n ASP 97 Ca 0.04 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.53 2kfb n ASP 97 Cb 0.52 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.71 2kfb n ASP 97 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2kfb n TYR 98 N 0.00 -0.34 -4.00 1.24 4.01 -1.26 -4.58 117.16 112.24 2kfb n TYR 98 Ca 0.00 -1.95 -0.28 0.00 -0.16 0.00 0.00 57.90 55.51 2kfb n TYR 98 Cb 0.00 0.62 -0.04 0.00 -0.31 0.00 0.00 39.34 39.61 2kfb n TYR 98 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2kfb s ARG 99 N -1.92 3.20 0.89 -0.72 3.00 -1.15 -4.99 118.95 117.25 2kfb s ARG 99 Ca 0.19 -0.66 0.00 0.00 0.00 0.00 0.00 55.73 55.25 2kfb s ARG 99 Cb 0.38 -2.85 0.00 0.00 0.00 0.00 0.00 34.95 32.48 2kfb s ARG 99 CO -0.08 0.53 0.00 0.41 0.00 0.00 0.00 175.30 176.16 2kfb n GLY 100 N -0.19 -1.95 3.77 -3.53 0.00 -1.26 -2.55 105.19 99.48 2kfb n GLY 100 Ca -0.07 -1.56 -0.39 0.00 0.00 0.00 0.00 46.02 44.00 2kfb n GLY 100 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kfb s GLN 101 N 0.00 3.81 0.09 1.61 2.00 -1.26 -4.81 119.66 121.10 2kfb s GLN 101 Ca 0.00 2.10 0.06 0.00 -2.00 0.00 0.00 55.36 55.52 2kfb s GLN 101 Cb 0.00 -2.62 -0.03 0.00 0.80 0.00 0.00 33.01 31.15 2kfb s GLN 101 CO 0.00 -0.60 -0.14 0.00 -0.50 0.00 0.00 175.29 174.04 2kfb s MET 102 N -2.42 0.92 -0.05 1.67 0.23 -1.26 -1.99 119.30 116.40 2kfb s MET 102 Ca 0.60 -1.09 -0.06 0.00 -1.03 0.00 0.00 55.69 54.11 2kfb s MET 102 Cb -0.37 -0.89 0.01 0.00 -1.53 0.00 0.00 34.83 32.06 2kfb s MET 102 CO 0.46 0.19 0.15 -1.50 -2.03 0.00 0.00 175.02 172.29 2kfb s ILE 103 N -1.66 0.01 0.06 3.16 2.07 -0.87 -5.03 121.20 118.95 2kfb s ILE 103 Ca 0.03 -0.06 0.07 0.00 -1.41 0.00 0.00 60.65 59.28 2kfb s ILE 103 Cb -0.08 -0.24 -0.04 0.00 0.13 0.00 0.00 42.46 42.24 2kfb s ILE 103 CO 0.03 -0.03 -0.15 -0.70 -1.91 0.00 0.00 174.94 172.17 2kfb s GLU 104 N -0.04 2.08 0.11 3.50 2.12 -1.26 -1.59 118.70 123.61 2kfb s GLU 104 Ca -0.01 -1.00 0.04 0.00 0.36 0.00 0.00 54.97 54.36 2kfb s GLU 104 Cb -0.02 -2.23 -0.04 0.00 0.26 0.00 0.00 34.13 32.11 2kfb s GLU 104 CO 0.00 0.53 -0.11 -0.06 -0.54 0.00 0.00 175.26 175.08 2kfb s PHE 105 N -1.03 1.15 0.00 5.30 0.08 -0.57 -5.01 117.98 117.90 2kfb s PHE 105 Ca 0.17 -0.64 0.00 0.00 0.12 0.00 0.00 56.93 56.57 2kfb s PHE 105 Cb -0.11 -0.62 0.00 0.00 -0.57 0.00 0.00 43.02 41.73 2kfb s PHE 105 CO 0.08 0.04 0.69 0.25 -0.10 0.00 0.00 175.22 176.18 2kfb n THR 106 N 0.49 0.00 -3.60 0.64 -2.24 -1.26 -2.29 114.28 106.02 2kfb n THR 106 Ca -0.15 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.59 2kfb n THR 106 Cb 0.58 0.57 -0.00 0.00 -2.10 0.00 0.00 70.33 69.37 2kfb n THR 106 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2kfb n GLU 107 N 0.00 0.25 -2.50 -0.78 0.00 -1.26 -4.77 120.64 111.58 2kfb n GLU 107 Ca 0.00 -0.81 -0.40 0.00 0.00 0.00 0.00 57.16 55.94 2kfb n GLU 107 Cb 0.59 0.83 -0.04 0.00 0.00 0.00 0.00 31.44 32.82 2kfb n GLU 107 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2kfb s ASP 108 N -1.66 7.28 -0.39 -1.84 -1.08 -1.26 -4.82 116.67 112.90 2kfb s ASP 108 Ca 0.08 2.24 0.01 0.00 -0.52 0.00 0.00 52.55 54.36 2kfb s ASP 108 Cb -0.01 -2.62 0.13 0.00 -1.46 0.00 0.00 42.92 38.96 2kfb s ASP 108 CO 0.06 -0.13 0.21 0.00 0.52 0.00 0.00 175.17 175.83 2kfb h SER 110 N 7.03 0.00 -2.84 0.00 0.02 -1.92 -2.85 113.55 112.98 2kfb h SER 110 Ca -0.01 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.38 2kfb h SER 110 Cb 0.95 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.10 2kfb h SER 110 CO 0.40 0.17 -0.80 0.00 -1.14 0.00 0.00 176.83 175.47 2kfb h LEU 112 N 7.73 1.01 -0.40 0.00 6.46 -1.39 -2.11 115.31 126.61 2kfb h LEU 112 Ca -0.08 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.62 2kfb h LEU 112 Cb 0.99 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.67 2kfb h LEU 112 CO 0.39 0.76 0.41 0.00 -0.62 0.00 0.00 178.44 179.38 2kfb n GLN 113 N -4.45 0.04 -0.03 1.25 3.00 -1.26 0.27 117.38 116.20 2kfb n GLN 113 Ca 0.09 0.43 0.13 0.00 -0.01 0.00 0.00 57.00 57.63 2kfb n GLN 113 Cb 0.04 -2.05 0.42 0.00 0.00 0.00 0.00 30.24 28.66 2kfb n GLN 113 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2kfb n ASP 114 N -1.71 1.80 0.00 1.08 8.00 -0.79 -4.34 116.55 120.59 2kfb n ASP 114 Ca -0.00 -1.63 0.00 0.00 0.71 0.00 0.00 54.79 53.86 2kfb n ASP 114 Cb 0.42 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 2kfb n ASP 114 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kfb n ARG 115 N 0.40 0.00 -4.95 -1.24 5.12 0.75 -5.09 116.66 111.65 2kfb n ARG 115 Ca 0.18 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.83 2kfb n ARG 115 Cb 0.39 -0.72 -0.16 0.00 -1.16 0.00 0.00 32.46 30.81 2kfb n ARG 115 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 2kfb s PHE 116 N -1.45 1.84 -0.00 -1.55 -0.71 -0.22 -5.07 117.98 110.81 2kfb s PHE 116 Ca 0.00 -0.46 -0.02 0.00 -1.04 0.00 0.00 56.93 55.42 2kfb s PHE 116 Cb 0.00 -1.21 -0.01 0.00 -1.21 0.00 0.00 43.02 40.59 2kfb s PHE 116 CO 0.00 -0.12 0.53 0.00 -1.34 0.00 0.00 175.22 174.30 2kfb h ARG 117 N 5.97 -0.05 -5.36 1.99 2.47 -1.88 -3.38 114.38 114.13 2kfb h ARG 117 Ca -0.35 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 57.81 2kfb h ARG 117 Cb 1.16 0.01 0.13 0.00 -1.65 0.00 0.00 29.97 29.63 2kfb h ARG 117 CO 0.48 -0.04 -0.79 1.19 0.56 0.00 0.00 179.97 181.37 2kfb n PHE 118 N -2.26 -1.66 -0.21 3.04 3.01 -1.26 -4.86 117.46 113.25 2kfb n PHE 118 Ca -0.01 0.61 0.09 0.00 1.01 0.00 0.00 57.45 59.15 2kfb n PHE 118 Cb 0.02 -1.61 0.25 0.00 -0.01 0.00 0.00 39.48 38.13 2kfb n PHE 118 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 2kfb n ASN 119 N 2.04 3.50 -3.91 4.37 0.23 -1.26 -4.94 115.26 115.29 2kfb n ASN 119 Ca 0.11 -1.98 -0.13 0.00 -0.53 0.00 0.00 54.58 52.04 2kfb n ASN 119 Cb 0.34 -0.36 -0.14 0.00 -2.08 0.00 0.00 39.78 37.53 2kfb n ASN 119 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2kfb s GLU 120 N -1.05 0.16 -0.14 -3.83 2.02 -1.26 -2.63 118.70 111.97 2kfb s GLU 120 Ca 0.38 -0.08 0.02 0.00 0.02 0.00 0.00 54.97 55.31 2kfb s GLU 120 Cb 0.20 -0.15 0.01 0.00 0.10 0.00 0.00 34.13 34.29 2kfb s GLU 120 CO 0.27 0.04 -0.20 0.42 0.02 0.00 0.00 175.26 175.80 2kfb s ILE 121 N -0.08 1.96 -0.19 -1.63 -1.09 -1.02 -4.71 121.20 114.44 2kfb s ILE 121 Ca 0.00 -0.91 0.16 0.00 -2.23 0.00 0.00 60.65 57.68 2kfb s ILE 121 Cb -0.01 -1.75 0.49 0.00 -1.58 0.00 0.00 42.46 39.61 2kfb s ILE 121 CO -0.00 0.53 1.38 1.41 -1.23 0.00 0.00 174.94 177.03 2kfb n HIS 122 N 4.21 0.80 0.00 3.97 8.25 -0.90 -4.47 115.22 127.08 2kfb n HIS 122 Ca -0.20 -0.99 0.00 0.00 -0.26 0.00 0.00 57.72 56.27 2kfb n HIS 122 Cb 0.51 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.31 2kfb n HIS 122 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2kfb n SER 123 N -0.75 0.00 -3.48 0.41 3.41 -1.20 -3.25 113.62 108.75 2kfb n SER 123 Ca 0.22 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.72 2kfb n SER 123 Cb 0.87 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.79 2kfb n SER 123 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2kfb s LEU 124 N 0.00 -0.46 -0.18 1.04 0.05 -0.95 -0.02 118.68 118.15 2kfb s LEU 124 Ca 0.00 0.10 0.00 0.00 0.05 0.00 0.00 54.13 54.28 2kfb s LEU 124 Cb 0.00 2.26 0.04 0.00 -2.05 0.00 0.00 46.19 46.44 2kfb s LEU 124 CO 0.00 -0.72 -0.08 0.21 -0.55 0.00 0.00 176.35 175.21 2kfb s ASN 125 N -2.33 3.14 -0.49 1.48 3.04 -0.13 -1.12 114.94 118.53 2kfb s ASN 125 Ca 0.02 -0.78 -0.16 0.00 0.04 0.00 0.00 52.86 51.97 2kfb s ASN 125 Cb -0.01 -1.10 0.07 0.00 -1.54 0.00 0.00 41.25 38.68 2kfb s ASN 125 CO -0.08 -0.16 0.46 -0.69 -3.04 0.00 0.00 177.10 173.59 2kfb s VAL 126 N 1.50 5.15 0.06 -5.21 1.01 -0.83 -0.48 120.40 121.60 2kfb s VAL 126 Ca -0.00 -0.97 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 2kfb s VAL 126 Cb -0.16 -4.18 -0.29 0.00 0.00 0.00 0.00 36.38 31.75 2kfb s VAL 126 CO -0.08 -0.65 1.11 -0.07 0.00 0.00 0.00 175.10 175.41 2kfb h LEU 127 N 8.98 0.86 -7.63 3.92 -0.00 -1.63 -2.08 115.31 117.71 2kfb h LEU 127 Ca -0.28 -0.79 -0.14 0.00 -0.00 0.00 0.00 57.88 56.67 2kfb h LEU 127 Cb 1.11 -0.27 -0.21 0.00 -0.00 0.00 0.00 40.66 41.29 2kfb h LEU 127 CO 0.91 1.60 -0.41 -0.70 -0.00 0.00 0.00 178.44 179.84 2kfb s GLU 128 N -2.98 0.53 0.28 1.13 2.56 -1.17 -4.87 118.70 114.18 2kfb s GLU 128 Ca -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 54.97 54.64 2kfb s GLU 128 Cb 0.06 0.23 0.00 0.00 2.00 0.00 0.00 34.13 36.41 2kfb s GLU 128 CO 0.93 -0.13 0.00 0.41 -0.56 0.00 0.00 175.26 175.91 2kfb n GLY 129 N 1.56 -2.06 3.48 -1.50 0.00 -1.24 -2.89 105.19 102.53 2kfb n GLY 129 Ca -0.21 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 2kfb n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfb s SER 130 N -6.04 3.81 0.33 1.61 0.01 -1.26 -3.83 113.70 108.33 2kfb s SER 130 Ca 0.00 -0.60 0.06 0.00 1.31 0.00 0.00 55.95 56.72 2kfb s SER 130 Cb 0.00 -0.50 -0.07 0.00 0.21 0.00 0.00 66.02 65.67 2kfb s SER 130 CO 0.00 0.17 -0.02 0.26 0.41 0.00 0.00 173.24 174.06 2kfb s TRP 131 N -1.20 2.16 -0.23 2.43 0.52 -0.69 -0.51 118.94 121.43 2kfb s TRP 131 Ca 0.18 -0.73 -0.04 0.00 0.02 0.00 0.00 56.10 55.53 2kfb s TRP 131 Cb -0.10 -1.36 0.08 0.00 -1.15 0.00 0.00 33.47 30.94 2kfb s TRP 131 CO 0.10 0.30 0.10 0.08 0.02 0.00 0.00 176.95 177.54 2kfb s VAL 132 N -2.95 0.10 0.30 4.03 1.01 0.33 -1.06 120.40 122.17 2kfb s VAL 132 Ca 0.33 -0.54 -0.27 0.00 0.00 0.00 0.00 61.98 61.49 2kfb s VAL 132 Cb 0.06 -0.88 -0.09 0.00 0.00 0.00 0.00 36.38 35.46 2kfb s VAL 132 CO 0.15 -0.46 0.98 -0.76 0.00 0.00 0.00 175.10 175.01 2kfb s LEU 133 N 2.03 4.43 -0.04 3.92 1.43 -0.81 -2.67 118.68 126.97 2kfb s LEU 133 Ca 0.05 1.95 0.06 0.00 -1.03 0.00 0.00 54.13 55.16 2kfb s LEU 133 Cb -0.16 -3.87 -0.01 0.00 0.03 0.00 0.00 46.19 42.17 2kfb s LEU 133 CO -0.20 -0.07 -0.23 -0.31 0.23 0.00 0.00 176.35 175.77 2kfb s TYR 134 N -1.44 2.22 0.24 0.29 1.51 -1.03 -1.54 117.35 117.61 2kfb s TYR 134 Ca 0.48 -0.59 -0.06 0.00 -1.01 0.00 0.00 57.07 55.89 2kfb s TYR 134 Cb -0.23 -1.45 0.44 0.00 -0.11 0.00 0.00 41.96 40.61 2kfb s TYR 134 CO 0.29 -0.16 1.66 1.49 -1.11 0.00 0.00 175.55 177.72 2kfb h GLU 135 N 5.94 0.17 -5.34 -0.62 4.57 -1.71 0.33 114.58 117.92 2kfb h GLU 135 Ca -0.35 -0.01 -0.45 0.00 -1.18 0.00 0.00 59.36 57.37 2kfb h GLU 135 Cb 1.16 -0.04 -0.14 0.00 -0.16 0.00 0.00 28.75 29.57 2kfb h GLU 135 CO 0.47 0.11 -0.67 -0.48 -1.18 0.00 0.00 179.01 177.27 2kfb s LEU 136 N -10.69 2.37 0.00 1.64 2.34 -1.26 -2.54 118.68 110.54 2kfb s LEU 136 Ca -0.13 -1.21 -0.19 0.00 0.06 0.00 0.00 54.13 52.66 2kfb s LEU 136 Cb 0.22 -0.49 0.28 0.00 -0.56 0.00 0.00 46.19 45.64 2kfb s LEU 136 CO 0.75 -0.42 1.02 -1.20 -1.06 0.00 0.00 176.35 175.44 2kfb n SER 137 N -0.53 -2.00 -1.43 1.48 7.64 -1.26 -3.73 113.62 113.81 2kfb n SER 137 Ca -0.05 -1.13 -0.16 0.00 1.01 0.00 0.00 58.87 58.54 2kfb n SER 137 Cb 0.64 -0.93 -0.07 0.00 -1.01 0.00 0.00 64.21 62.83 2kfb n SER 137 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2kfb n ASN 138 N -4.73 -4.42 -3.35 6.43 5.03 -0.95 -3.38 115.26 109.90 2kfb n ASN 138 Ca 0.14 0.40 -0.32 0.00 0.87 0.00 0.00 54.58 55.67 2kfb n ASN 138 Cb 0.55 -3.94 0.03 0.00 -1.02 0.00 0.00 39.78 35.39 2kfb n ASN 138 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2kfb n TYR 139 N -2.09 -2.21 -2.77 3.10 4.01 -1.24 -4.92 117.16 111.03 2kfb n TYR 139 Ca -0.16 0.93 -0.02 0.00 -0.16 0.00 0.00 57.90 58.48 2kfb n TYR 139 Cb 0.54 -1.78 0.07 0.00 -0.31 0.00 0.00 39.34 37.86 2kfb n TYR 139 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2kfb n ARG 140 N -0.78 1.54 0.00 -0.72 1.74 -1.22 -5.10 116.66 112.12 2kfb n ARG 140 Ca -0.14 -2.90 0.00 0.00 -0.77 0.00 0.00 57.85 54.04 2kfb n ARG 140 Cb 0.61 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 31.00 2kfb n ARG 140 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kfb n GLY 141 N -0.72 4.09 3.75 -0.13 0.00 -1.26 -4.90 105.19 106.01 2kfb n GLY 141 Ca 0.02 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 2kfb n GLY 141 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kfb s ARG 142 N 3.27 1.63 -0.04 1.61 0.52 -1.26 -4.83 118.95 119.85 2kfb s ARG 142 Ca 0.00 0.81 -0.03 0.00 -0.52 0.00 0.00 55.73 56.00 2kfb s ARG 142 Cb 0.00 -1.85 0.02 0.00 0.52 0.00 0.00 34.95 33.63 2kfb s ARG 142 CO 0.00 -1.98 0.09 1.14 0.02 0.00 0.00 175.30 174.57 2kfb s GLN 143 N -4.99 0.09 -0.01 3.54 0.00 -1.26 -2.65 119.66 114.38 2kfb s GLN 143 Ca 0.62 0.17 0.04 0.00 -0.00 0.00 0.00 55.36 56.19 2kfb s GLN 143 Cb -0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 33.01 32.82 2kfb s GLN 143 CO 0.56 -0.05 -0.13 0.71 0.00 0.00 0.00 175.29 176.38 2kfb s TYR 144 N 0.32 1.18 -0.19 9.60 2.02 -0.59 -4.55 117.35 125.15 2kfb s TYR 144 Ca -0.02 -0.23 -0.17 0.00 -0.37 0.00 0.00 57.07 56.28 2kfb s TYR 144 Cb -0.03 -0.76 -0.04 0.00 -0.40 0.00 0.00 41.96 40.72 2kfb s TYR 144 CO -0.01 -0.03 0.45 -1.17 -1.57 0.00 0.00 175.55 173.22 2kfb s LEU 145 N -0.28 4.17 -0.45 -1.29 2.96 -1.26 -1.93 118.68 120.59 2kfb s LEU 145 Ca 0.05 0.61 -0.03 0.00 -0.22 0.00 0.00 54.13 54.53 2kfb s LEU 145 Cb -0.05 -2.60 0.12 0.00 0.50 0.00 0.00 46.19 44.16 2kfb s LEU 145 CO -0.00 -0.09 0.26 -0.76 -1.32 0.00 0.00 176.35 174.43 2kfb s LEU 146 N 1.29 5.30 0.77 -0.68 2.01 -0.22 -4.92 118.68 122.22 2kfb s LEU 146 Ca 0.22 -2.16 -0.11 0.00 0.01 0.00 0.00 54.13 52.08 2kfb s LEU 146 Cb -0.15 -1.85 0.05 0.00 0.01 0.00 0.00 46.19 44.25 2kfb s LEU 146 CO 0.09 -0.53 1.09 0.00 1.01 0.00 0.00 176.35 178.01 2kfb s MET 147 N 0.96 2.31 -0.03 1.70 0.23 -1.26 -1.70 119.30 121.51 2kfb s MET 147 Ca 0.09 0.65 -0.31 0.00 -1.03 0.00 0.00 55.69 55.09 2kfb s MET 147 Cb -0.23 -1.94 -0.09 0.00 -1.53 0.00 0.00 34.83 31.04 2kfb s MET 147 CO -0.04 -1.47 1.99 -2.30 -2.03 0.00 0.00 175.02 171.18 2kfb n PRO 148 N -3.33 2.58 -1.91 3.16 -0.02 -1.25 -4.77 135.00 129.46 2kfb n PRO 148 Ca 0.07 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 2kfb n PRO 148 Cb 0.56 -2.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 2kfb n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kfb n GLY 149 N 4.71 -0.60 3.14 -1.23 0.00 -0.78 -5.02 105.19 105.41 2kfb n GLY 149 Ca 0.22 -0.66 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 2kfb n GLY 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kfb s ASP 150 N -4.00 2.23 -0.08 1.61 1.01 -1.26 -1.96 116.67 114.22 2kfb s ASP 150 Ca 0.00 -0.37 0.03 0.00 0.71 0.00 0.00 52.55 52.93 2kfb s ASP 150 Cb 0.00 -0.64 0.01 0.00 1.01 0.00 0.00 42.92 43.30 2kfb s ASP 150 CO 0.00 0.16 -0.17 -0.31 0.21 0.00 0.00 175.17 175.06 2kfb s TYR 151 N 0.05 1.88 -0.51 4.23 1.51 -0.28 -5.00 117.35 119.23 2kfb s TYR 151 Ca -0.04 -0.72 0.05 0.00 -1.01 0.00 0.00 57.07 55.35 2kfb s TYR 151 Cb -0.12 -1.31 0.02 0.00 -0.11 0.00 0.00 41.96 40.44 2kfb s TYR 151 CO 0.02 -0.32 0.53 0.54 -1.11 0.00 0.00 175.55 175.22 2kfb n ARG 152 N 3.63 1.30 -3.53 -0.62 1.74 -1.26 -2.25 116.66 115.67 2kfb n ARG 152 Ca -0.21 -0.58 -0.11 0.00 -0.77 0.00 0.00 57.85 56.18 2kfb n ARG 152 Cb 0.52 -0.99 -0.03 0.00 -1.02 0.00 0.00 32.46 30.94 2kfb n ARG 152 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2kfb s ARG 153 N -0.69 1.17 0.50 5.56 1.70 -1.20 -1.01 118.95 124.98 2kfb s ARG 153 Ca 0.05 -0.58 0.30 0.00 -0.47 0.00 0.00 55.73 55.02 2kfb s ARG 153 Cb 0.04 0.53 1.00 0.00 -0.57 0.00 0.00 34.95 35.95 2kfb s ARG 153 CO 0.10 -0.49 1.85 0.10 -1.08 0.00 0.00 175.30 175.78 2kfb h TYR 154 N 2.20 0.00 0.00 5.89 -0.00 -1.86 -3.01 116.97 120.18 2kfb h TYR 154 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.39 2kfb h TYR 154 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.01 2kfb h TYR 154 CO 0.28 0.00 0.00 1.96 -0.00 0.00 0.00 178.16 180.40 2kfb h GLN 155 N 0.00 0.00 -0.56 0.10 4.20 -1.93 -3.03 115.11 113.89 2kfb h GLN 155 Ca 0.00 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.82 2kfb h GLN 155 Cb 0.68 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.37 2kfb h GLN 155 CO 0.00 0.00 0.05 -0.44 -0.67 0.00 0.00 178.83 177.77 2kfb h ASP 156 N 0.00 -0.14 -0.55 1.46 3.32 -1.93 0.20 116.42 118.79 2kfb h ASP 156 Ca 0.00 0.12 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 2kfb h ASP 156 Cb 0.51 0.20 -0.07 0.00 0.22 0.00 0.00 39.33 40.19 2kfb h ASP 156 CO 0.00 -0.05 0.14 -2.67 -1.72 0.00 0.00 179.24 174.94 2kfb n TRP 157 N -5.20 1.87 -3.27 4.55 2.14 -1.21 -4.95 117.44 111.38 2kfb n TRP 157 Ca 0.07 -0.84 -0.15 0.00 2.07 0.00 0.00 57.50 58.65 2kfb n TRP 157 Cb 0.31 -0.53 0.01 0.00 -0.81 0.00 0.00 31.31 30.28 2kfb n TRP 157 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2kfb n GLY 158 N 0.15 -1.01 3.40 -1.67 0.00 0.72 -4.91 105.19 101.87 2kfb n GLY 158 Ca 0.29 0.84 -0.29 0.00 0.00 0.00 0.00 46.02 46.85 2kfb n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfb s ALA 159 N -2.61 2.42 0.03 4.61 0.00 -1.15 -5.00 121.76 120.05 2kfb s ALA 159 Ca 0.14 -1.38 0.17 0.00 0.00 0.00 0.00 51.96 50.88 2kfb s ALA 159 Cb -0.03 -0.48 0.40 0.00 0.00 0.00 0.00 23.12 23.02 2kfb s ALA 159 CO 0.81 0.55 1.60 0.00 0.00 0.00 0.00 175.76 178.72 2kfb h THR 160 N 3.91 0.89 -2.14 0.00 1.03 -1.95 -3.43 112.91 111.22 2kfb h THR 160 Ca -0.50 -1.87 -0.01 0.00 -0.01 0.00 0.00 66.41 64.02 2kfb h THR 160 Cb 1.16 2.17 -0.00 0.00 -1.07 0.00 0.00 68.15 70.41 2kfb h THR 160 CO 0.42 0.44 0.02 0.59 -0.01 0.00 0.00 175.52 176.98 2kfb n ASN 161 N -3.38 -0.26 -0.01 0.00 5.03 -1.26 -5.05 115.26 110.33 2kfb n ASN 161 Ca 0.01 -1.20 0.07 0.00 0.87 0.00 0.00 54.58 54.33 2kfb n ASN 161 Cb 0.62 0.44 -0.10 0.00 -1.02 0.00 0.00 39.78 39.72 2kfb n ASN 161 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kfb n ALA 162 N -2.71 2.73 -1.50 5.41 0.00 -1.26 -4.95 120.51 118.23 2kfb n ALA 162 Ca -0.02 -0.33 -0.59 0.00 0.00 0.00 0.00 53.44 52.49 2kfb n ALA 162 Cb 0.07 -0.47 -0.09 0.00 0.00 0.00 0.00 19.45 18.96 2kfb n ALA 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kfb n ARG 163 N -1.85 0.00 -4.42 0.00 1.74 -1.26 -2.43 116.66 108.43 2kfb n ARG 163 Ca -0.02 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.84 2kfb n ARG 163 Cb 0.33 -1.33 -0.10 0.00 -1.02 0.00 0.00 32.46 30.34 2kfb n ARG 163 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2kfb s VAL 164 N 2.95 2.20 0.00 1.55 1.01 -1.08 -4.41 120.40 122.62 2kfb s VAL 164 Ca 0.94 -2.30 0.00 0.00 0.00 0.00 0.00 61.98 60.63 2kfb s VAL 164 Cb -1.33 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2kfb s VAL 164 CO 0.71 -0.44 0.00 0.61 0.00 0.00 0.00 175.10 175.98 2kfb n GLY 165 N -0.44 0.00 1.52 4.51 0.00 0.11 -4.75 105.19 106.15 2kfb n GLY 165 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 2kfb n GLY 165 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kfb n SER 166 N -1.19 -0.88 -3.64 1.61 3.41 -1.18 -1.37 113.62 110.37 2kfb n SER 166 Ca 0.00 -1.68 -0.07 0.00 -0.26 0.00 0.00 58.87 56.86 2kfb n SER 166 Cb 0.08 1.49 -0.07 0.00 -0.26 0.00 0.00 64.21 65.46 2kfb n SER 166 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2kfb s LEU 167 N 0.00 -0.42 0.09 1.04 0.05 -1.08 -2.46 118.68 115.91 2kfb s LEU 167 Ca 0.07 0.77 0.04 0.00 0.05 0.00 0.00 54.13 55.06 2kfb s LEU 167 Cb -0.02 1.76 -0.03 0.00 -2.05 0.00 0.00 46.19 45.85 2kfb s LEU 167 CO 0.06 -0.13 -0.10 0.00 -0.55 0.00 0.00 176.35 175.62 2kfb s ARG 168 N 0.48 0.81 0.38 1.48 1.70 -1.09 -2.62 118.95 120.09 2kfb s ARG 168 Ca 0.01 -1.11 -0.14 0.00 -0.47 0.00 0.00 55.73 54.02 2kfb s ARG 168 Cb -0.05 -0.53 -0.08 0.00 -0.57 0.00 0.00 34.95 33.73 2kfb s ARG 168 CO -0.09 0.08 0.79 -0.98 -1.08 0.00 0.00 175.30 174.03 2kfb s ARG 169 N -2.61 3.93 -1.14 3.89 3.03 -1.26 -0.51 118.95 124.28 2kfb s ARG 169 Ca 0.03 0.66 -0.16 0.00 2.03 0.00 0.00 55.73 58.29 2kfb s ARG 169 Cb -0.04 -2.36 0.14 0.00 -1.03 0.00 0.00 34.95 31.66 2kfb s ARG 169 CO 0.00 0.02 1.39 0.08 -1.13 0.00 0.00 175.30 175.66 2kfb s VAL 170 N -2.22 4.79 -0.05 4.99 1.01 0.34 -4.90 120.40 124.36 2kfb s VAL 170 Ca 0.54 -2.19 -0.02 0.00 0.00 0.00 0.00 61.98 60.31 2kfb s VAL 170 Cb -0.10 -4.92 0.03 0.00 0.00 0.00 0.00 36.38 31.39 2kfb s VAL 170 CO 0.24 -1.66 0.04 -0.63 0.00 0.00 0.00 175.10 173.09 2kfb s ILE 171 N 2.34 0.04 0.18 2.22 1.09 -1.26 -4.69 121.20 121.11 2kfb s ILE 171 Ca 0.42 0.32 -0.09 0.00 -1.10 0.00 0.00 60.65 60.20 2kfb s ILE 171 Cb -0.02 -0.26 0.03 0.00 -1.06 0.00 0.00 42.46 41.15 2kfb s ILE 171 CO -0.02 0.20 1.60 -0.78 -0.10 0.00 0.00 174.94 175.84 2kfb h ASP 172 N 8.32 1.01 0.00 3.58 3.58 -1.91 -3.38 116.42 127.60 2kfb h ASP 172 Ca -0.17 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 56.94 2kfb h ASP 172 Cb 1.12 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.90 2kfb h ASP 172 CO 0.21 1.13 0.00 0.49 -2.88 0.00 0.00 179.24 178.19 2kfb n PHE 173 N -4.14 0.00 0.31 0.28 3.72 -1.26 -4.93 117.46 111.44 2kfb n PHE 173 Ca 0.01 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.44 2kfb n PHE 173 Cb 0.41 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.10 2kfb n PHE 173 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14