#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfb s GLY 2 N 0.00 1.78 -0.30 1.08 0.00 -1.26 -4.58 107.32 104.04 2kfb s GLY 2 Ca 0.00 -1.23 -0.07 0.00 0.00 0.00 0.00 44.72 43.43 2kfb s GLY 2 CO 0.00 -0.87 0.85 1.25 0.00 0.00 0.00 173.10 174.33 2kfb s LYS 3 N -4.97 0.35 0.39 2.90 2.20 -0.94 -4.59 119.74 115.08 2kfb s LYS 3 Ca 0.59 0.56 0.08 0.00 -0.36 0.00 0.00 55.97 56.83 2kfb s LYS 3 Cb -0.10 0.30 -0.07 0.00 -1.51 0.00 0.00 37.83 36.45 2kfb s LYS 3 CO 0.41 -0.45 0.01 0.96 -0.36 0.00 0.00 175.35 175.92 2kfb s ILE 4 N 2.91 2.10 -0.13 5.43 -0.00 -1.09 -1.99 121.20 128.43 2kfb s ILE 4 Ca 0.11 -2.01 0.00 0.00 -0.00 0.00 0.00 60.65 58.76 2kfb s ILE 4 Cb -0.11 -2.92 0.02 0.00 -0.00 0.00 0.00 42.46 39.45 2kfb s ILE 4 CO -0.17 -0.05 -0.12 -0.89 -0.00 0.00 0.00 174.94 173.71 2kfb s THR 5 N -2.67 1.38 -0.13 8.37 2.01 0.11 -2.09 115.64 122.62 2kfb s THR 5 Ca 0.35 -0.53 -0.04 0.00 0.31 0.00 0.00 61.69 61.79 2kfb s THR 5 Cb 0.08 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 2kfb s THR 5 CO 0.18 0.43 0.01 -0.76 -0.69 0.00 0.00 174.62 173.79 2kfb s LEU 6 N 1.45 3.56 -0.13 4.42 1.43 0.51 -0.80 118.68 129.13 2kfb s LEU 6 Ca 0.03 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 2kfb s LEU 6 Cb -0.13 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.24 2kfb s LEU 6 CO -0.08 0.27 -0.18 -0.31 0.23 0.00 0.00 176.35 176.28 2kfb s TYR 7 N -0.23 2.71 0.49 0.29 1.51 -1.05 -0.63 117.35 120.44 2kfb s TYR 7 Ca 0.06 -0.95 0.24 0.00 -1.01 0.00 0.00 57.07 55.40 2kfb s TYR 7 Cb -0.12 -1.81 1.29 0.00 -0.11 0.00 0.00 41.96 41.20 2kfb s TYR 7 CO 0.02 -0.39 1.92 1.49 -1.11 0.00 0.00 175.55 177.48 2kfb h GLU 8 N 6.93 0.16 -6.19 -0.62 4.81 -0.59 -2.86 114.58 116.23 2kfb h GLU 8 Ca -0.26 -0.01 -0.58 0.00 -0.13 0.00 0.00 59.36 58.38 2kfb h GLU 8 Cb 1.21 -0.04 -0.11 0.00 0.63 0.00 0.00 28.75 30.44 2kfb h GLU 8 CO 0.53 0.11 -0.69 0.34 -0.73 0.00 0.00 179.01 178.57 2kfb s ASP 9 N -5.88 4.14 1.15 1.04 2.15 -1.24 -2.97 116.67 115.07 2kfb s ASP 9 Ca -0.06 -0.82 -0.09 0.00 0.43 0.00 0.00 52.55 52.01 2kfb s ASP 9 Cb 0.21 -0.61 0.14 0.00 -0.30 0.00 0.00 42.92 42.36 2kfb s ASP 9 CO 0.76 -0.00 0.37 -2.11 -0.17 0.00 0.00 175.17 174.01 2kfb n ARG 10 N -0.79 -2.63 -2.02 4.34 1.85 -1.26 -2.96 116.66 113.18 2kfb n ARG 10 Ca -0.06 -0.60 -0.03 0.00 -1.00 0.00 0.00 57.85 56.16 2kfb n ARG 10 Cb 0.60 -0.69 -0.01 0.00 -1.05 0.00 0.00 32.46 31.31 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 -1.50 -0.24 3.41 2.89 0.00 -0.91 -1.34 105.19 107.51 2kfb n GLY 11 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.22 -2.54 -2.96 1.61 3.72 -1.23 -5.01 117.46 108.82 2kfb n PHE 12 Ca -0.03 1.00 0.00 0.00 -0.05 0.00 0.00 57.45 58.37 2kfb n PHE 12 Cb 0.39 -3.43 0.00 0.00 -0.94 0.00 0.00 39.48 35.50 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 -2.12 1.26 0.00 -1.08 6.02 -0.45 -5.05 117.38 115.97 2kfb n GLN 13 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 2kfb n GLN 13 Cb 0.60 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.86 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 1.58 0.88 3.77 1.08 0.00 -1.26 -3.64 105.19 107.59 2kfb n GLY 14 Ca 0.00 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 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 3.77 0.05 1.61 0.52 -1.26 -4.81 118.95 118.83 2kfb s ARG 15 Ca 0.00 1.88 0.02 0.00 -0.52 0.00 0.00 55.73 57.11 2kfb s ARG 15 Cb 0.00 -2.48 -0.03 0.00 0.52 0.00 0.00 34.95 32.96 2kfb s ARG 15 CO 0.00 -0.57 -0.08 -3.38 0.02 0.00 0.00 175.30 171.29 2kfb s HIS 16 N -1.46 0.75 -0.07 -0.53 -3.43 -1.26 -0.02 115.29 109.27 2kfb s HIS 16 Ca 0.62 -0.57 -0.08 0.00 -0.80 0.00 0.00 55.06 54.23 2kfb s HIS 16 Cb -0.31 -0.44 0.02 0.00 -1.43 0.00 0.00 32.58 30.42 2kfb s HIS 16 CO 0.38 -0.08 0.22 -0.47 -2.00 0.00 0.00 174.74 172.79 2kfb s TYR 17 N -1.78 -0.22 -0.22 0.38 5.04 0.20 -4.99 117.35 115.77 2kfb s TYR 17 Ca -0.05 0.52 -0.05 0.00 -2.44 0.00 0.00 57.07 55.05 2kfb s TYR 17 Cb -0.07 0.07 -0.02 0.00 0.35 0.00 0.00 41.96 42.29 2kfb s TYR 17 CO -0.00 -0.15 -0.02 -2.00 -1.34 0.00 0.00 175.55 172.04 2kfb s GLU 18 N -0.09 3.48 -0.18 4.97 2.12 -1.26 -0.36 118.70 127.38 2kfb s GLU 18 Ca -0.02 -0.58 -0.04 0.00 0.36 0.00 0.00 54.97 54.69 2kfb s GLU 18 Cb -0.02 -3.07 -0.02 0.00 0.26 0.00 0.00 34.13 31.27 2kfb s GLU 18 CO 0.01 -0.14 -0.03 0.00 -0.54 0.00 0.00 175.26 174.55 2kfb n SER 20 N 3.91 2.29 -3.80 0.00 3.41 -1.26 -2.67 113.62 115.50 2kfb n SER 20 Ca -0.17 -2.01 -0.09 0.00 -0.26 0.00 0.00 58.87 56.34 2kfb n SER 20 Cb 0.52 -0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.36 2kfb n SER 20 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2kfb s SER 21 N -1.01 -0.23 0.36 4.04 0.15 -1.26 -4.72 113.70 111.03 2kfb s SER 21 Ca 0.07 -0.58 -0.28 0.00 0.70 0.00 0.00 55.95 55.87 2kfb s SER 21 Cb 0.04 0.60 -0.12 0.00 -1.71 0.00 0.00 66.02 64.83 2kfb s SER 21 CO 0.05 -1.10 1.38 0.47 1.20 0.00 0.00 173.24 175.24 2kfb n ASP 22 N -0.36 3.25 -4.04 5.45 8.00 -1.26 -4.68 116.55 122.91 2kfb n ASP 22 Ca -0.08 1.21 -0.14 0.00 0.71 0.00 0.00 54.79 56.49 2kfb n ASP 22 Cb 0.62 -1.55 -0.12 0.00 -0.02 0.00 0.00 41.12 40.04 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 -1.11 0.66 -0.13 1.24 3.76 0.13 -4.99 115.29 114.84 2kfb s HIS 23 Ca 0.55 -0.37 0.06 0.00 -0.15 0.00 0.00 55.06 55.14 2kfb s HIS 23 Cb -0.52 -0.40 -0.07 0.00 1.11 0.00 0.00 32.58 32.70 2kfb s HIS 23 CO 0.63 -0.05 0.18 0.25 -0.85 0.00 0.00 174.74 174.89 2kfb n THR 24 N 1.91 0.00 -3.39 1.30 -2.24 -1.26 -2.39 114.28 108.21 2kfb n THR 24 Ca -0.20 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.24 2kfb n THR 24 Cb 0.56 0.69 -0.09 0.00 -2.10 0.00 0.00 70.33 69.39 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 -2.08 0.27 0.00 3.42 2.47 -1.23 -1.52 114.94 116.27 2kfb s ASN 25 Ca 0.00 0.28 0.10 0.00 0.42 0.00 0.00 52.86 53.66 2kfb s ASN 25 Cb 0.04 1.08 0.10 0.00 -1.45 0.00 0.00 41.25 41.02 2kfb s ASN 25 CO 0.23 -0.29 0.87 0.18 -3.72 0.00 0.00 177.10 174.36 2kfb n LEU 26 N 5.36 1.95 -0.17 3.21 4.77 0.28 -4.66 117.00 127.75 2kfb n LEU 26 Ca -0.04 -1.10 -0.02 0.00 -0.03 0.00 0.00 56.01 54.83 2kfb n LEU 26 Cb 0.50 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.64 2kfb n LEU 26 CO 0.06 0.39 0.86 1.56 -1.33 0.00 0.00 177.39 178.92 2kfb h GLN 27 N 2.00 0.14 -0.50 3.23 4.20 -1.68 1.44 115.11 123.93 2kfb h GLN 27 Ca 0.00 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.78 2kfb h GLN 27 Cb 0.46 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 2kfb h GLN 27 CO 0.00 0.09 0.34 -1.00 -0.67 0.00 0.00 178.83 177.59 2kfb h PRO 28 N 0.14 0.35 0.00 1.46 0.13 -1.95 -3.21 132.00 128.92 2kfb h PRO 28 Ca 0.27 -0.02 -0.31 0.00 -0.87 0.00 0.00 66.00 65.06 2kfb h PRO 28 Cb 0.40 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 31.40 2kfb h PRO 28 CO -0.42 0.23 -1.75 0.66 -0.23 0.00 0.00 178.00 176.50 2kfb n TYR 29 N -4.47 0.58 -5.04 1.56 4.01 -0.19 -4.94 117.16 108.68 2kfb n TYR 29 Ca 0.07 0.25 -0.32 0.00 -0.16 0.00 0.00 57.90 57.74 2kfb n TYR 29 Cb 0.31 -1.03 -0.17 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 -7.74 2.17 0.00 7.72 1.43 0.48 -4.88 118.68 117.86 2kfb s LEU 30 Ca -0.32 -0.54 0.23 0.00 -1.03 0.00 0.00 54.13 52.47 2kfb s LEU 30 Cb 0.09 -1.44 0.18 0.00 0.03 0.00 0.00 46.19 45.05 2kfb s LEU 30 CO 0.53 0.14 1.19 -0.24 0.23 0.00 0.00 176.35 178.21 2kfb n SER 31 N 3.65 1.06 0.00 2.29 2.88 -1.26 -3.45 113.62 118.80 2kfb n SER 31 Ca -0.19 -0.87 0.00 0.00 -1.33 0.00 0.00 58.87 56.48 2kfb n SER 31 Cb 0.53 0.55 0.00 0.00 -0.75 0.00 0.00 64.21 64.53 2kfb n SER 31 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kfb n ARG 32 N -1.08 0.00 -1.75 -1.46 1.74 -1.26 -4.94 116.66 107.90 2kfb n ARG 32 Ca 0.07 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2kfb n ARG 32 Cb 0.36 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.80 2kfb n ARG 32 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kfb n ASN 34 N -1.02 2.11 -3.54 0.00 3.02 -1.08 -4.78 115.26 109.98 2kfb n ASN 34 Ca 0.00 -1.75 -0.12 0.00 -0.03 0.00 0.00 54.58 52.69 2kfb n ASN 34 Cb 0.43 -0.10 -0.04 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.70 -0.41 0.03 6.41 1.04 -1.24 -0.51 113.70 117.32 2kfb s SER 35 Ca 0.34 -0.08 -0.23 0.00 0.48 0.00 0.00 55.95 56.46 2kfb s SER 35 Cb 0.19 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.89 2kfb s SER 35 CO 0.29 -0.87 0.52 0.00 0.98 0.00 0.00 173.24 174.17 2kfb s ALA 36 N -3.47 -1.33 -0.09 5.32 0.00 0.11 -2.54 121.76 119.77 2kfb s ALA 36 Ca 0.00 0.66 -0.00 0.00 0.00 0.00 0.00 51.96 52.62 2kfb s ALA 36 Cb 0.00 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.46 2kfb s ALA 36 CO -0.10 -0.47 -0.05 1.03 0.00 0.00 0.00 175.76 176.17 2kfb s ARG 37 N -2.22 1.17 -0.34 0.00 0.52 0.02 0.40 118.95 118.50 2kfb s ARG 37 Ca -0.07 -0.14 -0.08 0.00 -0.52 0.00 0.00 55.73 54.92 2kfb s ARG 37 Cb -0.01 -1.28 0.03 0.00 0.52 0.00 0.00 34.95 34.22 2kfb s ARG 37 CO 0.00 -0.22 0.13 0.08 0.02 0.00 0.00 175.30 175.32 2kfb s VAL 38 N 1.56 4.07 0.04 3.52 1.01 0.54 0.05 120.40 131.20 2kfb s VAL 38 Ca 0.01 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 60.83 2kfb s VAL 38 Cb -0.13 -3.26 -0.19 0.00 0.00 0.00 0.00 36.38 32.80 2kfb s VAL 38 CO -0.05 -0.16 1.21 0.44 0.00 0.00 0.00 175.10 176.55 2kfb h ASP 39 N 8.29 0.62 -4.96 3.32 5.19 -1.66 -0.60 116.42 126.62 2kfb h ASP 39 Ca -0.25 -0.66 -0.00 0.00 -0.62 0.00 0.00 57.03 55.50 2kfb h ASP 39 Cb 1.10 -0.18 -0.12 0.00 0.18 0.00 0.00 39.33 40.30 2kfb h ASP 39 CO 0.62 1.18 0.24 -0.94 -3.12 0.00 0.00 179.24 177.23 2kfb s SER 40 N -6.70 -0.54 0.00 6.45 1.04 -1.25 -4.82 113.70 107.88 2kfb s SER 40 Ca -0.13 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2kfb s SER 40 Cb 0.05 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.75 2kfb s SER 40 CO 0.83 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2kfb n GLY 41 N -0.37 -1.52 3.40 7.32 0.00 -1.23 -2.22 105.19 110.57 2kfb n GLY 41 Ca -0.16 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 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 0.99 2.59 -0.05 0.00 0.52 -0.78 -1.45 118.94 120.76 2kfb s TRP 43 Ca 0.01 -0.24 0.03 0.00 0.02 0.00 0.00 56.10 55.92 2kfb s TRP 43 Cb -0.15 -1.31 0.00 0.00 -1.15 0.00 0.00 33.47 30.87 2kfb s TRP 43 CO 0.01 0.46 -0.15 1.41 0.02 0.00 0.00 176.95 178.71 2kfb s MET 44 N -2.52 1.64 -0.11 4.98 1.75 -0.44 -0.01 119.30 124.58 2kfb s MET 44 Ca 0.22 -0.51 -0.01 0.00 -1.25 0.00 0.00 55.69 54.14 2kfb s MET 44 Cb -0.10 -1.41 -0.03 0.00 2.84 0.00 0.00 34.83 36.14 2kfb s MET 44 CO 0.13 0.16 -0.06 -0.51 -0.65 0.00 0.00 175.02 174.09 2kfb s LEU 45 N 0.23 3.19 -0.11 4.11 1.02 -0.88 -0.27 118.68 125.97 2kfb s LEU 45 Ca -0.07 -0.08 -0.01 0.00 0.02 0.00 0.00 54.13 53.99 2kfb s LEU 45 Cb -0.12 -1.73 -0.02 0.00 0.02 0.00 0.00 46.19 44.33 2kfb s LEU 45 CO 0.02 0.26 -0.09 -0.31 0.02 0.00 0.00 176.35 176.26 2kfb s TYR 46 N -0.22 2.90 0.32 0.29 1.51 -0.54 -0.91 117.35 120.72 2kfb s TYR 46 Ca 0.03 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 2kfb s TYR 46 Cb -0.13 -1.83 0.54 0.00 -0.11 0.00 0.00 41.96 40.43 2kfb s TYR 46 CO 0.03 0.02 1.98 1.05 -1.11 0.00 0.00 175.55 177.51 2kfb h GLU 47 N 6.20 0.93 -6.18 -0.62 4.11 -1.58 -2.82 114.58 114.63 2kfb h GLU 47 Ca -0.35 -0.07 -0.59 0.00 0.07 0.00 0.00 59.36 58.42 2kfb h GLU 47 Cb 1.19 -0.20 -0.07 0.00 0.50 0.00 0.00 28.75 30.16 2kfb h GLU 47 CO 0.57 0.64 -0.57 -0.65 0.07 0.00 0.00 179.01 179.07 2kfb s GLN 48 N -5.75 2.92 0.63 1.06 -0.21 -1.26 -3.45 119.66 113.60 2kfb s GLN 48 Ca -0.11 -0.82 -0.17 0.00 0.02 0.00 0.00 55.36 54.29 2kfb s GLN 48 Cb 0.17 -2.68 -0.01 0.00 1.00 0.00 0.00 33.01 31.49 2kfb s GLN 48 CO 0.78 0.50 1.16 -1.25 -2.12 0.00 0.00 175.29 174.37 2kfb s PRO 49 N -2.95 2.81 -1.63 2.91 0.04 -1.26 -3.43 135.00 131.49 2kfb s PRO 49 Ca 0.31 1.63 -0.02 0.00 0.04 0.00 0.00 61.00 62.96 2kfb s PRO 49 Cb -0.11 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2kfb s PRO 49 CO 0.23 -1.29 0.29 0.09 0.04 0.00 0.00 177.00 176.36 2kfb n ASN 50 N -2.05 -5.90 -3.69 6.66 3.02 -0.58 -2.96 115.26 109.76 2kfb n ASN 50 Ca 0.12 -0.15 -0.27 0.00 -0.03 0.00 0.00 54.58 54.26 2kfb n ASN 50 Cb 0.51 -4.82 0.02 0.00 -0.61 0.00 0.00 39.78 34.87 2kfb n ASN 50 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2kfb n TYR 51 N -4.25 -2.04 -0.95 3.10 4.02 -1.22 -4.91 117.16 110.92 2kfb n TYR 51 Ca -0.18 0.63 0.06 0.00 -0.01 0.00 0.00 57.90 58.40 2kfb n TYR 51 Cb 0.65 -3.20 0.09 0.00 -0.02 0.00 0.00 39.34 36.86 2kfb n TYR 51 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2kfb n SER 52 N -2.42 1.90 0.00 7.72 7.64 -1.16 -5.06 113.62 122.24 2kfb n SER 52 Ca -0.16 -2.64 0.00 0.00 1.01 0.00 0.00 58.87 57.08 2kfb n SER 52 Cb 0.61 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 2kfb n SER 52 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kfb n GLY 53 N -1.01 5.12 3.74 0.23 0.00 -1.26 -4.82 105.19 107.18 2kfb n GLY 53 Ca 0.10 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 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 3.46 0.10 0.99 2.96 -1.26 -4.73 118.68 120.20 2kfb s LEU 54 Ca 0.00 2.38 0.09 0.00 -0.22 0.00 0.00 54.13 56.37 2kfb s LEU 54 Cb 0.00 -4.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.06 2kfb s LEU 54 CO 0.00 -1.99 -0.22 0.00 -1.32 0.00 0.00 176.35 172.82 2kfb s GLN 55 N -3.68 1.23 -0.12 1.98 -2.07 -1.26 -1.56 119.66 114.18 2kfb s GLN 55 Ca 0.76 -1.18 0.01 0.00 -1.82 0.00 0.00 55.36 53.13 2kfb s GLN 55 Cb -0.30 -1.54 0.02 0.00 -1.09 0.00 0.00 33.01 30.10 2kfb s GLN 55 CO 0.41 0.36 -0.13 0.71 -1.32 0.00 0.00 175.29 175.32 2kfb s TYR 56 N -1.09 1.92 -0.19 9.60 2.02 -0.08 -4.68 117.35 124.85 2kfb s TYR 56 Ca 0.08 -0.97 -0.27 0.00 -0.37 0.00 0.00 57.07 55.55 2kfb s TYR 56 Cb -0.10 -1.42 -0.01 0.00 -0.40 0.00 0.00 41.96 40.03 2kfb s TYR 56 CO 0.04 -0.54 0.90 0.12 -1.57 0.00 0.00 175.55 174.51 2kfb s PHE 57 N 1.27 3.39 0.08 2.71 5.36 -1.26 -2.08 117.98 127.46 2kfb s PHE 57 Ca -0.01 1.33 0.09 0.00 -0.96 0.00 0.00 56.93 57.38 2kfb s PHE 57 Cb -0.14 -3.10 -0.04 0.00 -0.34 0.00 0.00 43.02 39.40 2kfb s PHE 57 CO -0.06 -0.32 -0.23 -0.51 -1.46 0.00 0.00 175.22 172.65 2kfb s LEU 58 N 2.50 2.44 0.12 6.12 1.02 0.99 -4.87 118.68 126.99 2kfb s LEU 58 Ca 0.40 -0.59 0.01 0.00 0.02 0.00 0.00 54.13 53.98 2kfb s LEU 58 Cb -0.16 -1.38 -0.04 0.00 0.02 0.00 0.00 46.19 44.62 2kfb s LEU 58 CO 0.11 0.22 -0.03 0.00 0.02 0.00 0.00 176.35 176.66 2kfb s ARG 59 N -1.73 0.90 -0.24 1.70 1.70 -1.26 -1.87 118.95 118.14 2kfb s ARG 59 Ca 0.15 -1.39 -0.40 0.00 -0.47 0.00 0.00 55.73 53.61 2kfb s ARG 59 Cb -0.10 -0.13 -0.18 0.00 -0.57 0.00 0.00 34.95 33.96 2kfb s ARG 59 CO 0.06 -0.08 1.25 -2.13 -1.08 0.00 0.00 175.30 173.31 2kfb n ARG 60 N -0.09 0.00 -3.12 3.89 0.63 -1.24 -4.71 116.66 112.02 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 0.62 -1.39 0.00 0.00 0.45 0.00 0.00 32.46 32.14 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 2.60 -1.92 3.34 5.14 0.00 -0.23 -4.97 105.19 109.16 2kfb n GLY 61 Ca 0.24 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.54 3.74 -0.21 1.61 1.01 -1.26 -0.34 116.67 120.69 2kfb s ASP 62 Ca 0.00 -0.38 0.01 0.00 0.71 0.00 0.00 52.55 52.89 2kfb s ASP 62 Cb 0.00 -1.42 0.05 0.00 1.01 0.00 0.00 42.92 42.56 2kfb s ASP 62 CO 0.00 0.19 -0.08 -0.31 0.21 0.00 0.00 175.17 175.18 2kfb s TYR 63 N 0.19 2.35 -2.36 4.23 2.02 0.16 -4.98 117.35 118.96 2kfb s TYR 63 Ca -0.10 -1.59 0.26 0.00 -0.37 0.00 0.00 57.07 55.27 2kfb s TYR 63 Cb -0.16 -1.59 0.66 0.00 -0.40 0.00 0.00 41.96 40.47 2kfb s TYR 63 CO 0.06 -0.74 1.51 0.00 -1.57 0.00 0.00 175.55 174.81 2kfb n ALA 64 N 4.70 2.80 -3.19 3.71 0.00 -1.26 0.07 120.51 127.34 2kfb n ALA 64 Ca -0.14 -0.51 -0.13 0.00 0.00 0.00 0.00 53.44 52.66 2kfb n ALA 64 Cb 0.46 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.19 -0.18 0.09 0.00 1.01 -1.21 -2.14 116.67 112.06 2kfb s ASP 65 Ca 0.30 0.19 -0.18 0.00 0.71 0.00 0.00 52.55 53.57 2kfb s ASP 65 Cb 0.20 0.38 -0.07 0.00 1.01 0.00 0.00 42.92 44.44 2kfb s ASP 65 CO 0.40 -0.32 1.53 1.12 0.21 0.00 0.00 175.17 178.12 2kfb h HIS 66 N 4.53 0.52 0.00 4.23 2.07 -1.12 -2.51 115.15 122.88 2kfb h HIS 66 Ca -0.29 -0.09 0.00 0.00 -2.85 0.00 0.00 60.37 57.14 2kfb h HIS 66 Cb 1.18 -0.14 0.00 0.00 2.57 0.00 0.00 27.41 31.03 2kfb h HIS 66 CO 0.50 0.63 0.26 1.04 -3.07 0.00 0.00 177.93 177.29 2kfb n GLN 67 N -4.61 0.00 0.11 5.12 1.13 -1.26 -0.08 117.38 117.79 2kfb n GLN 67 Ca -0.03 0.23 -0.20 0.00 -1.94 0.00 0.00 57.00 55.06 2kfb n GLN 67 Cb 0.25 -1.76 -0.15 0.00 0.11 0.00 0.00 30.24 28.69 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 0.38 -0.77 -1.09 1.08 -1.79 -3.25 115.11 109.66 2kfb h GLN 68 Ca 0.00 -0.64 0.00 0.00 -1.45 0.00 0.00 58.65 56.56 2kfb h GLN 68 Cb 0.52 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 2kfb h GLN 68 CO 0.00 1.29 0.00 -2.67 -0.95 0.00 0.00 178.83 176.50 2kfb n TRP 69 N -3.59 0.78 -0.97 2.96 2.14 0.88 -4.80 117.44 114.85 2kfb n TRP 69 Ca -0.15 -0.28 0.00 0.00 2.07 0.00 0.00 57.50 59.15 2kfb n TRP 69 Cb 1.06 -0.23 0.00 0.00 -0.81 0.00 0.00 31.31 31.33 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 0.26 0.00 -1.55 -2.67 2.81 -1.22 -4.30 117.12 110.45 2kfb n MET 70 Ca 0.11 0.45 -0.23 0.00 -1.81 0.00 0.00 57.70 56.21 2kfb n MET 70 Cb 0.58 -3.81 -0.06 0.00 -0.71 0.00 0.00 33.22 29.22 2kfb n MET 70 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kfb n GLY 71 N -2.97 -0.03 0.20 3.03 0.00 -0.90 -4.72 105.19 99.80 2kfb n GLY 71 Ca 0.00 0.46 -0.04 0.00 0.00 0.00 0.00 46.02 46.45 2kfb n GLY 71 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kfb h LEU 72 N 21.03 0.35 -7.61 0.99 3.38 -1.92 -3.38 115.31 128.15 2kfb h LEU 72 Ca -0.10 -0.15 -0.40 0.00 0.09 0.00 0.00 57.88 57.31 2kfb h LEU 72 Cb 1.12 -0.10 -0.35 0.00 0.09 0.00 0.00 40.66 41.42 2kfb h LEU 72 CO 1.09 0.74 -0.76 -0.55 0.09 0.00 0.00 178.44 179.04 2kfb s SER 73 N -6.87 1.06 0.90 -0.43 0.15 -1.26 -5.11 113.70 102.14 2kfb s SER 73 Ca -0.05 -0.09 -0.05 0.00 0.70 0.00 0.00 55.95 56.46 2kfb s SER 73 Cb 0.13 -0.39 0.08 0.00 -1.71 0.00 0.00 66.02 64.12 2kfb s SER 73 CO 0.79 -0.12 0.17 -0.90 1.20 0.00 0.00 173.24 174.38 2kfb n ASP 74 N 4.47 -2.10 0.00 5.45 5.75 -1.26 -4.70 116.55 124.16 2kfb n ASP 74 Ca -0.19 -0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.42 2kfb n ASP 74 Cb 0.50 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 2kfb n ASP 74 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2kfb n SER 75 N -2.73 0.00 -0.72 -1.12 2.88 -1.26 -4.96 113.62 105.72 2kfb n SER 75 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2kfb n SER 75 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 2kfb n SER 75 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2kfb n VAL 76 N 0.00 -1.44 -0.01 2.46 0.31 -1.22 -4.23 118.33 114.20 2kfb n VAL 76 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 2kfb n VAL 76 Cb 0.00 -1.75 0.03 0.00 -0.91 0.00 0.00 33.84 31.21 2kfb n VAL 76 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2kfb n ARG 77 N 0.70 2.21 -3.55 5.55 1.74 -1.07 -4.69 116.66 117.55 2kfb n ARG 77 Ca 0.00 -1.43 -0.09 0.00 -0.77 0.00 0.00 57.85 55.56 2kfb n ARG 77 Cb 0.00 -1.06 -0.02 0.00 -1.02 0.00 0.00 32.46 30.36 2kfb n ARG 77 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2kfb s SER 78 N -0.84 -0.42 -0.08 0.55 1.04 -1.22 1.00 113.70 113.73 2kfb s SER 78 Ca 0.05 -0.15 -0.24 0.00 0.48 0.00 0.00 55.95 56.09 2kfb s SER 78 Cb 0.03 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.76 2kfb s SER 78 CO 0.04 -0.94 0.56 0.00 0.98 0.00 0.00 173.24 173.87 2kfb s ARG 80 N -0.86 1.06 -0.21 0.00 1.70 0.63 0.17 118.95 121.45 2kfb s ARG 80 Ca -0.09 -1.16 -0.13 0.00 -0.47 0.00 0.00 55.73 53.88 2kfb s ARG 80 Cb -0.02 -1.19 -0.05 0.00 -0.57 0.00 0.00 34.95 33.12 2kfb s ARG 80 CO 0.06 0.26 0.26 -1.17 -1.08 0.00 0.00 175.30 173.63 2kfb s LEU 81 N -2.06 4.17 -0.38 -1.89 2.96 -1.26 -1.33 118.68 118.88 2kfb s LEU 81 Ca 0.06 0.33 -0.26 0.00 -0.22 0.00 0.00 54.13 54.04 2kfb s LEU 81 Cb -0.09 -2.29 0.02 0.00 0.50 0.00 0.00 46.19 44.34 2kfb s LEU 81 CO 0.04 0.04 0.96 -0.63 -1.32 0.00 0.00 176.35 175.45 2kfb s ILE 82 N 0.91 4.53 0.93 6.68 1.01 -0.53 -4.88 121.20 129.86 2kfb s ILE 82 Ca 0.13 1.21 -0.15 0.00 0.00 0.00 0.00 60.65 61.85 2kfb s ILE 82 Cb -0.13 -4.38 0.17 0.00 0.01 0.00 0.00 42.46 38.13 2kfb s ILE 82 CO 0.05 -0.60 1.26 -2.16 0.00 0.00 0.00 174.94 173.49 2kfb s PRO 83 N 3.61 0.91 0.00 2.79 0.04 -1.26 -4.56 135.00 136.53 2kfb s PRO 83 Ca 0.40 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.22 2kfb s PRO 83 Cb -0.11 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2kfb s PRO 83 CO 0.20 -2.26 0.00 0.72 0.04 0.00 0.00 177.00 175.70 2kfb n HIS 84 N -3.70 0.00 -1.79 0.56 8.25 -1.26 -4.56 115.22 112.72 2kfb n HIS 84 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2kfb n HIS 84 Cb 0.60 -1.38 0.00 0.00 1.12 0.00 0.00 29.99 30.33 2kfb n HIS 84 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2kfb n SER 85 N -0.53 0.00 0.00 0.41 3.41 -1.26 -4.56 113.62 111.08 2kfb n SER 85 Ca 0.00 -0.82 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 2kfb n SER 85 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2kfb n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kfb n GLY 86 N 0.00 -1.76 3.83 5.00 0.00 -1.26 -4.85 105.19 106.15 2kfb n GLY 86 Ca 0.00 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.73 6.14 -0.36 1.61 0.01 -1.26 -4.87 113.70 113.24 2kfb s SER 87 Ca 0.00 1.63 0.01 0.00 1.31 0.00 0.00 55.95 58.90 2kfb s SER 87 Cb 0.00 -2.51 0.11 0.00 0.21 0.00 0.00 66.02 63.83 2kfb s SER 87 CO 0.00 -0.92 0.13 -1.00 0.41 0.00 0.00 173.24 171.86 2kfb s HIS 88 N -2.71 2.30 -0.02 2.43 0.09 -1.26 -1.43 115.29 114.68 2kfb s HIS 88 Ca 0.60 -2.25 0.03 0.00 -0.00 0.00 0.00 55.06 53.43 2kfb s HIS 88 Cb -0.12 -2.08 0.00 0.00 -0.00 0.00 0.00 32.58 30.38 2kfb s HIS 88 CO 0.40 -0.87 -0.10 1.03 -0.00 0.00 0.00 174.74 175.20 2kfb s ARG 89 N 1.07 1.02 -0.10 1.40 0.52 -0.71 -4.32 118.95 117.84 2kfb s ARG 89 Ca 0.12 -0.34 -0.11 0.00 -0.52 0.00 0.00 55.73 54.88 2kfb s ARG 89 Cb -0.20 -0.95 0.03 0.00 0.52 0.00 0.00 34.95 34.35 2kfb s ARG 89 CO -0.14 0.14 0.29 -1.50 0.02 0.00 0.00 175.30 174.11 2kfb s ILE 90 N 0.11 0.01 -0.38 1.52 2.07 -0.94 -2.15 121.20 121.44 2kfb s ILE 90 Ca -0.02 -0.08 0.03 0.00 -1.41 0.00 0.00 60.65 59.17 2kfb s ILE 90 Cb -0.08 -0.44 0.11 0.00 0.13 0.00 0.00 42.46 42.18 2kfb s ILE 90 CO 0.00 -0.05 0.11 -0.13 -1.91 0.00 0.00 174.94 172.97 2kfb s ARG 91 N -0.07 1.63 0.26 3.50 0.52 0.16 -1.27 118.95 123.68 2kfb s ARG 91 Ca -0.02 -2.02 -0.30 0.00 -0.52 0.00 0.00 55.73 52.87 2kfb s ARG 91 Cb -0.03 -3.27 -0.09 0.00 0.52 0.00 0.00 34.95 32.08 2kfb s ARG 91 CO 0.01 -0.99 1.03 -0.51 0.02 0.00 0.00 175.30 174.86 2kfb s LEU 92 N 0.69 4.59 -0.04 2.53 1.43 -0.48 -0.96 118.68 126.44 2kfb s LEU 92 Ca 0.12 2.12 0.07 0.00 -1.03 0.00 0.00 54.13 55.41 2kfb s LEU 92 Cb -0.21 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.38 2kfb s LEU 92 CO -0.06 -0.01 -0.25 -0.31 0.23 0.00 0.00 176.35 175.95 2kfb s TYR 93 N -1.13 2.40 0.03 0.29 1.51 0.94 -1.70 117.35 119.69 2kfb s TYR 93 Ca 0.43 -0.59 -0.13 0.00 -1.01 0.00 0.00 57.07 55.78 2kfb s TYR 93 Cb -0.29 -1.56 -0.06 0.00 -0.11 0.00 0.00 41.96 39.94 2kfb s TYR 93 CO 0.37 -0.13 1.20 1.49 -1.11 0.00 0.00 175.55 177.36 2kfb h GLU 94 N 5.80 -0.37 -6.55 -0.62 4.22 -1.09 -2.95 114.58 113.02 2kfb h GLU 94 Ca -0.37 0.03 -0.44 0.00 0.08 0.00 0.00 59.36 58.66 2kfb h GLU 94 Cb 1.15 0.09 0.02 0.00 0.50 0.00 0.00 28.75 30.51 2kfb h GLU 94 CO 0.47 -0.25 -0.20 1.03 -2.18 0.00 0.00 179.01 177.88 2kfb s ARG 95 N -4.01 2.87 1.11 1.92 0.52 0.43 -2.10 118.95 119.69 2kfb s ARG 95 Ca -0.06 -0.95 -0.12 0.00 -0.52 0.00 0.00 55.73 54.08 2kfb s ARG 95 Cb 0.01 -2.68 0.24 0.00 0.52 0.00 0.00 34.95 33.05 2kfb s ARG 95 CO 0.21 -0.29 1.00 0.39 0.02 0.00 0.00 175.30 176.63 2kfb n GLU 96 N -1.95 -1.90 -3.94 3.54 1.02 -1.24 -2.61 120.64 113.56 2kfb n GLU 96 Ca 0.05 -0.52 -0.29 0.00 -0.02 0.00 0.00 57.16 56.39 2kfb n GLU 96 Cb 0.59 -2.20 0.01 0.00 -0.02 0.00 0.00 31.44 29.82 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 -4.61 -2.94 -4.25 1.62 8.00 -0.95 -1.35 116.55 112.06 2kfb n ASP 97 Ca 0.05 -0.87 -0.35 0.00 0.71 0.00 0.00 54.79 54.33 2kfb n ASP 97 Cb 0.54 -3.56 -0.04 0.00 -0.02 0.00 0.00 41.12 38.03 2kfb n ASP 97 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kfb n TYR 98 N -4.49 -1.57 -4.11 1.24 0.18 -1.24 -4.93 117.16 102.23 2kfb n TYR 98 Ca -0.09 0.75 -0.26 0.00 1.88 0.00 0.00 57.90 60.19 2kfb n TYR 98 Cb 0.58 -2.85 -0.06 0.00 -0.38 0.00 0.00 39.34 36.63 2kfb n TYR 98 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 2kfb s ARG 99 N -6.98 2.81 0.99 -3.48 6.06 -0.46 -5.00 118.95 112.89 2kfb s ARG 99 Ca 0.58 -0.93 0.00 0.00 -2.50 0.00 0.00 55.73 52.87 2kfb s ARG 99 Cb -0.32 -2.58 0.00 0.00 0.06 0.00 0.00 34.95 32.11 2kfb s ARG 99 CO 0.95 0.47 0.00 0.41 -2.50 0.00 0.00 175.30 174.63 2kfb n GLY 100 N -0.39 -1.81 3.76 8.12 0.00 -1.26 -0.43 105.19 113.18 2kfb n GLY 100 Ca -0.08 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 43.96 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 3.62 0.05 1.61 2.00 -1.26 -4.71 119.66 120.97 2kfb s GLN 101 Ca 0.00 2.23 0.04 0.00 -2.00 0.00 0.00 55.36 55.63 2kfb s GLN 101 Cb 0.00 -2.55 -0.02 0.00 0.80 0.00 0.00 33.01 31.24 2kfb s GLN 101 CO 0.00 -0.81 -0.13 1.41 -0.50 0.00 0.00 175.29 175.27 2kfb s MET 102 N -2.55 0.79 -0.01 1.67 -2.45 -1.26 -0.85 119.30 114.64 2kfb s MET 102 Ca 0.63 -0.82 -0.01 0.00 -1.25 0.00 0.00 55.69 54.24 2kfb s MET 102 Cb -0.40 -0.75 0.00 0.00 1.25 0.00 0.00 34.83 34.93 2kfb s MET 102 CO 0.50 0.17 0.04 -1.50 1.05 0.00 0.00 175.02 175.28 2kfb s ILE 103 N -1.09 0.01 -0.07 10.11 2.07 -0.69 -5.02 121.20 126.52 2kfb s ILE 103 Ca -0.02 -0.08 0.02 0.00 -1.41 0.00 0.00 60.65 59.16 2kfb s ILE 103 Cb -0.09 -0.09 -0.03 0.00 0.13 0.00 0.00 42.46 42.39 2kfb s ILE 103 CO 0.01 -0.04 -0.11 -0.70 -1.91 0.00 0.00 174.94 172.19 2kfb s GLU 104 N -0.11 2.79 0.18 3.50 -6.30 -1.26 -1.38 118.70 116.12 2kfb s GLU 104 Ca -0.01 -0.64 0.09 0.00 -2.50 0.00 0.00 54.97 51.91 2kfb s GLU 104 Cb -0.01 -2.52 -0.04 0.00 0.00 0.00 0.00 34.13 31.56 2kfb s GLU 104 CO 0.00 0.55 -0.19 -0.06 0.02 0.00 0.00 175.26 175.57 2kfb s PHE 105 N -0.51 1.96 0.00 5.30 0.08 -0.40 -5.01 117.98 119.41 2kfb s PHE 105 Ca 0.07 -0.44 0.13 0.00 0.12 0.00 0.00 56.93 56.81 2kfb s PHE 105 Cb -0.12 -0.96 0.22 0.00 -0.57 0.00 0.00 43.02 41.59 2kfb s PHE 105 CO 0.02 0.40 1.06 0.25 -0.10 0.00 0.00 175.22 176.85 2kfb n THR 106 N 0.17 0.00 -3.01 0.64 -2.24 -1.26 -2.22 114.28 106.35 2kfb n THR 106 Ca -0.12 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2kfb n THR 106 Cb 0.57 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 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 0.25 0.00 -2.57 -0.78 0.28 -1.26 -4.86 120.64 111.70 2kfb n GLU 107 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.62 2kfb n GLU 107 Cb 0.92 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.74 2kfb n GLU 107 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2kfb s ASP 108 N -0.06 7.21 -0.40 -1.84 1.01 -1.26 -4.69 116.67 116.64 2kfb s ASP 108 Ca 0.00 2.11 0.01 0.00 0.71 0.00 0.00 52.55 55.39 2kfb s ASP 108 Cb 0.00 -2.61 0.13 0.00 1.01 0.00 0.00 42.92 41.45 2kfb s ASP 108 CO 0.00 -0.17 0.20 0.00 0.21 0.00 0.00 175.17 175.40 2kfb h SER 110 N 7.09 0.22 -3.13 0.00 0.02 -1.91 -2.71 113.55 113.13 2kfb h SER 110 Ca -0.04 -0.09 -0.59 0.00 -0.84 0.00 0.00 61.79 60.24 2kfb h SER 110 Cb 0.95 -0.06 -0.40 0.00 0.14 0.00 0.00 62.40 63.04 2kfb h SER 110 CO 0.47 0.59 -0.77 0.00 -1.14 0.00 0.00 176.83 175.97 2kfb h LEU 112 N 7.28 0.81 0.00 0.00 5.85 -1.61 -2.18 115.31 125.46 2kfb h LEU 112 Ca -0.04 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2kfb h LEU 112 Cb 0.97 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.79 2kfb h LEU 112 CO 0.42 0.65 0.28 0.00 -0.34 0.00 0.00 178.44 179.46 2kfb n GLN 113 N -4.55 0.00 -0.02 1.25 1.13 -1.24 0.18 117.38 114.13 2kfb n GLN 113 Ca 0.05 0.18 0.00 0.00 -1.94 0.00 0.00 57.00 55.29 2kfb n GLN 113 Cb 0.07 -1.78 -0.13 0.00 0.11 0.00 0.00 30.24 28.50 2kfb n GLN 113 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2kfb n ASP 114 N -1.16 0.31 -0.08 1.08 8.00 -0.82 -4.58 116.55 119.31 2kfb n ASP 114 Ca 0.00 0.14 -0.11 0.00 0.71 0.00 0.00 54.79 55.53 2kfb n ASP 114 Cb 0.28 1.00 -0.07 0.00 -0.02 0.00 0.00 41.12 42.31 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 -2.65 0.39 -4.19 -1.24 5.12 0.48 -4.97 116.66 109.60 2kfb n ARG 115 Ca -0.16 0.09 -0.29 0.00 -1.93 0.00 0.00 57.85 55.56 2kfb n ARG 115 Cb 0.86 -1.30 -0.17 0.00 -1.16 0.00 0.00 32.46 30.69 2kfb n ARG 115 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 2kfb s PHE 116 N -2.30 2.09 0.07 -1.55 5.36 0.20 -5.04 117.98 116.80 2kfb s PHE 116 Ca -0.20 -1.10 -0.31 0.00 -0.96 0.00 0.00 56.93 54.35 2kfb s PHE 116 Cb 0.05 -1.53 -0.18 0.00 -0.34 0.00 0.00 43.02 41.02 2kfb s PHE 116 CO 0.35 -0.59 1.59 0.00 -1.46 0.00 0.00 175.22 175.11 2kfb h ARG 117 N 7.81 -0.77 -6.32 10.12 3.08 -1.83 -3.29 114.38 123.18 2kfb h ARG 117 Ca -0.35 0.05 -0.63 0.00 0.07 0.00 0.00 59.98 59.12 2kfb h ARG 117 Cb 1.15 0.18 0.11 0.00 0.08 0.00 0.00 29.97 31.49 2kfb h ARG 117 CO 0.51 -0.50 -0.09 1.19 -1.07 0.00 0.00 179.97 180.01 2kfb n PHE 118 N -5.42 0.69 -0.64 3.04 3.72 -1.26 -4.84 117.46 112.74 2kfb n PHE 118 Ca -0.13 0.79 0.09 0.00 -0.05 0.00 0.00 57.45 58.15 2kfb n PHE 118 Cb 0.33 -2.15 0.35 0.00 -0.94 0.00 0.00 39.48 37.07 2kfb n PHE 118 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2kfb n ASN 119 N 1.47 4.69 -3.72 4.37 5.15 -1.26 -4.84 115.26 121.12 2kfb n ASN 119 Ca 0.12 -2.48 -0.14 0.00 -0.60 0.00 0.00 54.58 51.49 2kfb n ASN 119 Cb 0.30 -0.57 -0.08 0.00 -0.53 0.00 0.00 39.78 38.90 2kfb n ASN 119 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 2kfb s GLU 120 N -1.90 0.71 -0.12 1.20 1.03 -1.26 0.13 118.70 118.50 2kfb s GLU 120 Ca 0.50 -0.02 0.02 0.00 0.03 0.00 0.00 54.97 55.50 2kfb s GLU 120 Cb 0.33 0.32 0.01 0.00 -0.80 0.00 0.00 34.13 33.99 2kfb s GLU 120 CO 0.23 -0.19 -0.17 0.42 -1.33 0.00 0.00 175.26 174.22 2kfb s ILE 121 N -1.10 1.66 -0.20 1.83 -1.09 -0.40 -4.78 121.20 117.11 2kfb s ILE 121 Ca -0.11 -0.74 0.15 0.00 -2.23 0.00 0.00 60.65 57.72 2kfb s ILE 121 Cb -0.04 -1.50 0.59 0.00 -1.58 0.00 0.00 42.46 39.93 2kfb s ILE 121 CO 0.05 0.47 1.50 1.41 -1.23 0.00 0.00 174.94 177.14 2kfb n HIS 122 N 4.13 1.22 0.00 3.97 8.25 -0.89 -4.45 115.22 127.45 2kfb n HIS 122 Ca -0.19 -0.92 0.00 0.00 -0.26 0.00 0.00 57.72 56.35 2kfb n HIS 122 Cb 0.51 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 -0.36 0.00 -3.46 0.41 3.41 -1.21 -3.24 113.62 109.17 2kfb n SER 123 Ca 0.24 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.72 2kfb n SER 123 Cb 0.98 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.90 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 -0.56 -0.23 1.04 0.05 -0.94 -0.04 118.68 117.99 2kfb s LEU 124 Ca 0.00 0.22 0.02 0.00 0.05 0.00 0.00 54.13 54.41 2kfb s LEU 124 Cb 0.00 2.48 0.05 0.00 -2.05 0.00 0.00 46.19 46.67 2kfb s LEU 124 CO 0.00 -0.80 -0.11 0.21 -0.55 0.00 0.00 176.35 175.10 2kfb s ASN 125 N -2.21 3.96 -0.47 1.48 3.04 -0.13 -1.28 114.94 119.32 2kfb s ASN 125 Ca -0.02 -1.17 -0.16 0.00 0.04 0.00 0.00 52.86 51.55 2kfb s ASN 125 Cb -0.01 -1.40 0.06 0.00 -1.54 0.00 0.00 41.25 38.37 2kfb s ASN 125 CO -0.06 -0.17 0.44 -0.69 -3.04 0.00 0.00 177.10 173.59 2kfb s VAL 126 N 1.24 5.15 -0.04 -5.21 1.01 -0.94 -0.66 120.40 120.95 2kfb s VAL 126 Ca -0.05 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 60.83 2kfb s VAL 126 Cb -0.18 -4.15 -0.29 0.00 0.00 0.00 0.00 36.38 31.76 2kfb s VAL 126 CO -0.07 -0.60 0.95 -0.07 0.00 0.00 0.00 175.10 175.30 2kfb h LEU 127 N 8.97 0.44 -7.20 3.92 -0.00 -1.69 -1.22 115.31 118.53 2kfb h LEU 127 Ca -0.28 -0.90 -0.05 0.00 -0.00 0.00 0.00 57.88 56.65 2kfb h LEU 127 Cb 1.11 -0.14 -0.14 0.00 -0.00 0.00 0.00 40.66 41.49 2kfb h LEU 127 CO 0.88 1.30 0.06 -0.70 -0.00 0.00 0.00 178.44 179.98 2kfb s GLU 128 N -2.65 1.11 -0.37 1.13 2.56 -1.16 -4.84 118.70 114.48 2kfb s GLU 128 Ca -0.14 -0.42 -0.11 0.00 0.00 0.00 0.00 54.97 54.30 2kfb s GLU 128 Cb 0.01 0.50 0.01 0.00 2.00 0.00 0.00 34.13 36.66 2kfb s GLU 128 CO 0.81 -0.44 0.48 0.41 -0.56 0.00 0.00 175.26 175.97 2kfb n GLY 129 N 0.03 -1.17 1.97 -1.50 0.00 -0.51 -1.73 105.19 102.28 2kfb n GLY 129 Ca -0.17 0.90 -0.24 0.00 0.00 0.00 0.00 46.02 46.51 2kfb n GLY 129 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kfb n SER 130 N -0.50 -2.49 -4.55 1.61 7.64 -1.26 -4.40 113.62 109.67 2kfb n SER 130 Ca 0.08 0.36 -0.26 0.00 1.01 0.00 0.00 58.87 60.06 2kfb n SER 130 Cb 0.38 -0.51 -0.11 0.00 -1.01 0.00 0.00 64.21 62.96 2kfb n SER 130 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 2kfb s TRP 131 N -1.23 2.33 -0.30 1.43 0.52 -0.84 -0.27 118.94 120.58 2kfb s TRP 131 Ca 0.33 -0.68 -0.02 0.00 0.02 0.00 0.00 56.10 55.75 2kfb s TRP 131 Cb -0.27 -1.53 0.10 0.00 -1.15 0.00 0.00 33.47 30.62 2kfb s TRP 131 CO 0.42 0.39 0.12 0.08 0.02 0.00 0.00 176.95 177.98 2kfb s VAL 132 N -2.82 0.37 0.30 4.03 1.01 0.37 -1.39 120.40 122.27 2kfb s VAL 132 Ca 0.34 -1.10 -0.28 0.00 0.00 0.00 0.00 61.98 60.94 2kfb s VAL 132 Cb 0.07 -1.30 -0.09 0.00 0.00 0.00 0.00 36.38 35.06 2kfb s VAL 132 CO 0.17 -0.72 1.08 -0.76 0.00 0.00 0.00 175.10 174.87 2kfb s LEU 133 N 1.83 4.46 -0.06 3.92 1.43 -0.60 -2.71 118.68 126.95 2kfb s LEU 133 Ca 0.10 2.20 0.06 0.00 -1.03 0.00 0.00 54.13 55.46 2kfb s LEU 133 Cb -0.17 -3.75 -0.01 0.00 0.03 0.00 0.00 46.19 42.29 2kfb s LEU 133 CO -0.30 -0.21 -0.24 -0.31 0.23 0.00 0.00 176.35 175.52 2kfb s TYR 134 N -1.27 2.40 0.26 0.29 1.51 0.33 -1.18 117.35 119.68 2kfb s TYR 134 Ca 0.47 -0.75 -0.03 0.00 -1.01 0.00 0.00 57.07 55.76 2kfb s TYR 134 Cb -0.29 -1.58 0.53 0.00 -0.11 0.00 0.00 41.96 40.50 2kfb s TYR 134 CO 0.38 -0.24 1.69 1.49 -1.11 0.00 0.00 175.55 177.75 2kfb h GLU 135 N 6.16 0.29 -5.31 -0.62 4.57 -1.72 0.40 114.58 118.35 2kfb h GLU 135 Ca -0.30 -0.02 -0.49 0.00 -1.18 0.00 0.00 59.36 57.37 2kfb h GLU 135 Cb 1.18 -0.07 -0.14 0.00 -0.16 0.00 0.00 28.75 29.57 2kfb h GLU 135 CO 0.47 0.19 -0.62 -0.48 -1.18 0.00 0.00 179.01 177.39 2kfb s LEU 136 N -10.57 2.30 1.03 1.64 0.05 -1.26 -2.17 118.68 109.71 2kfb s LEU 136 Ca -0.12 -1.34 -0.16 0.00 0.05 0.00 0.00 54.13 52.55 2kfb s LEU 136 Cb 0.22 -0.47 0.22 0.00 -2.05 0.00 0.00 46.19 44.11 2kfb s LEU 136 CO 0.76 -0.55 1.21 -0.44 -0.55 0.00 0.00 176.35 176.79 2kfb s SER 137 N -3.50 2.44 -1.98 1.48 0.01 -1.26 -3.86 113.70 107.04 2kfb s SER 137 Ca 0.35 0.53 0.00 0.00 1.31 0.00 0.00 55.95 58.14 2kfb s SER 137 Cb 0.08 -0.75 0.00 0.00 0.21 0.00 0.00 66.02 65.56 2kfb s SER 137 CO 0.15 -3.18 0.00 -3.20 0.41 0.00 0.00 173.24 167.42 2kfb n ASN 138 N -4.11 -5.10 -3.02 2.44 5.15 -1.02 -3.65 115.26 105.95 2kfb n ASN 138 Ca 0.13 0.41 -0.30 0.00 -0.60 0.00 0.00 54.58 54.22 2kfb n ASN 138 Cb 0.59 -4.50 0.03 0.00 -0.53 0.00 0.00 39.78 35.37 2kfb n ASN 138 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2kfb n TYR 139 N -2.49 -2.02 -2.72 1.20 4.01 -1.25 -4.92 117.16 108.97 2kfb n TYR 139 Ca -0.20 0.85 -0.05 0.00 -0.16 0.00 0.00 57.90 58.34 2kfb n TYR 139 Cb 0.63 -1.44 0.08 0.00 -0.31 0.00 0.00 39.34 38.30 2kfb n TYR 139 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2kfb n ARG 140 N -0.38 1.34 0.00 -0.72 0.63 -1.24 -5.10 116.66 111.19 2kfb n ARG 140 Ca -0.09 -2.55 0.00 0.00 -0.92 0.00 0.00 57.85 54.29 2kfb n ARG 140 Cb 0.54 -0.70 0.00 0.00 0.45 0.00 0.00 32.46 32.75 2kfb n ARG 140 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kfb n GLY 141 N -0.62 3.81 3.86 5.14 0.00 -1.26 -4.94 105.19 111.18 2kfb n GLY 141 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 4.75 2.90 -0.04 1.61 0.52 -1.26 -4.89 118.95 122.55 2kfb s ARG 142 Ca 0.00 0.59 -0.03 0.00 -0.52 0.00 0.00 55.73 55.77 2kfb s ARG 142 Cb 0.00 -2.02 0.02 0.00 0.52 0.00 0.00 34.95 33.47 2kfb s ARG 142 CO 0.00 -1.03 0.09 1.14 0.02 0.00 0.00 175.30 175.52 2kfb s GLN 143 N -5.27 0.08 -0.01 3.54 -2.07 -1.26 -2.61 119.66 112.07 2kfb s GLN 143 Ca 0.58 0.19 0.05 0.00 -1.82 0.00 0.00 55.36 54.36 2kfb s GLN 143 Cb -0.12 -0.05 -0.01 0.00 -1.09 0.00 0.00 33.01 31.74 2kfb s GLN 143 CO 0.53 -0.07 -0.15 0.71 -1.32 0.00 0.00 175.29 174.98 2kfb s TYR 144 N 0.47 1.37 -0.20 9.60 2.02 -0.32 -4.66 117.35 125.63 2kfb s TYR 144 Ca -0.03 -0.27 -0.14 0.00 -0.37 0.00 0.00 57.07 56.26 2kfb s TYR 144 Cb -0.05 -0.88 -0.04 0.00 -0.40 0.00 0.00 41.96 40.59 2kfb s TYR 144 CO -0.02 -0.02 0.32 -1.17 -1.57 0.00 0.00 175.55 173.10 2kfb s LEU 145 N -0.42 4.17 -0.42 -1.29 2.96 -1.26 -1.55 118.68 120.86 2kfb s LEU 145 Ca 0.06 0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 54.36 2kfb s LEU 145 Cb -0.06 -2.39 0.11 0.00 0.50 0.00 0.00 46.19 44.35 2kfb s LEU 145 CO -0.00 -0.00 0.23 -0.76 -1.32 0.00 0.00 176.35 174.49 2kfb s LEU 146 N 1.05 5.29 0.88 -0.68 2.01 -0.49 -4.93 118.68 121.81 2kfb s LEU 146 Ca 0.16 -2.07 -0.12 0.00 0.01 0.00 0.00 54.13 52.11 2kfb s LEU 146 Cb -0.14 -1.84 0.12 0.00 0.01 0.00 0.00 46.19 44.34 2kfb s LEU 146 CO 0.06 -0.55 1.11 -0.04 1.01 0.00 0.00 176.35 177.95 2kfb s MET 147 N 1.09 1.40 -0.09 1.70 -1.94 -1.26 -1.99 119.30 118.21 2kfb s MET 147 Ca 0.09 0.48 -0.29 0.00 -1.71 0.00 0.00 55.69 54.26 2kfb s MET 147 Cb -0.23 -1.85 -0.06 0.00 2.01 0.00 0.00 34.83 34.70 2kfb s MET 147 CO -0.04 -2.06 1.92 -2.14 -0.01 0.00 0.00 175.02 172.70 2kfb s PRO 148 N -5.17 3.81 0.00 2.03 0.02 -1.26 -4.71 135.00 129.72 2kfb s PRO 148 Ca 0.63 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.87 2kfb s PRO 148 Cb -0.15 -4.17 0.00 0.00 0.02 0.00 0.00 34.50 30.20 2kfb s PRO 148 CO 0.54 -1.31 0.00 0.41 -0.33 0.00 0.00 177.00 176.32 2kfb n GLY 149 N 4.83 -0.60 2.99 0.52 0.00 -0.46 -5.00 105.19 107.47 2kfb n GLY 149 Ca 0.22 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 2kfb n GLY 149 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kfb s ASP 150 N -4.00 3.21 -0.17 1.61 2.15 -1.26 -2.21 116.67 116.00 2kfb s ASP 150 Ca 0.00 -0.79 -0.05 0.00 0.43 0.00 0.00 52.55 52.14 2kfb s ASP 150 Cb 0.00 -1.19 -0.03 0.00 -0.30 0.00 0.00 42.92 41.39 2kfb s ASP 150 CO 0.00 -0.13 0.00 -0.31 -0.17 0.00 0.00 175.17 174.56 2kfb s TYR 151 N 1.43 3.11 -0.72 -5.34 1.51 -0.40 -4.97 117.35 111.97 2kfb s TYR 151 Ca 0.00 -0.18 0.08 0.00 -1.01 0.00 0.00 57.07 55.96 2kfb s TYR 151 Cb -0.15 -2.01 -0.00 0.00 -0.11 0.00 0.00 41.96 39.68 2kfb s TYR 151 CO -0.09 0.02 0.56 0.54 -1.11 0.00 0.00 175.55 175.47 2kfb n ARG 152 N 3.59 2.16 -3.78 -0.62 1.74 -1.26 -2.23 116.66 116.26 2kfb n ARG 152 Ca -0.17 -0.54 -0.09 0.00 -0.77 0.00 0.00 57.85 56.28 2kfb n ARG 152 Cb 0.52 -1.02 -0.03 0.00 -1.02 0.00 0.00 32.46 30.91 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 -1.14 1.49 0.46 5.56 1.70 -1.20 -2.25 118.95 123.58 2kfb s ARG 153 Ca 0.06 -0.92 0.25 0.00 -0.47 0.00 0.00 55.73 54.65 2kfb s ARG 153 Cb 0.06 0.54 0.54 0.00 -0.57 0.00 0.00 34.95 35.52 2kfb s ARG 153 CO 0.19 -0.65 1.68 0.10 -1.08 0.00 0.00 175.30 175.55 2kfb h TYR 154 N 2.15 0.00 0.00 5.89 -0.00 -1.85 -3.18 116.97 119.98 2kfb h TYR 154 Ca -0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.47 2kfb h TYR 154 Cb 1.26 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.99 2kfb h TYR 154 CO 0.37 0.01 -0.00 1.96 -0.00 0.00 0.00 178.16 180.50 2kfb h GLN 155 N 0.00 0.00 -0.60 0.10 4.20 -1.91 -2.94 115.11 113.97 2kfb h GLN 155 Ca -0.00 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.83 2kfb h GLN 155 Cb 0.91 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.60 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 -0.17 -0.59 1.46 3.32 -1.94 0.25 116.42 118.74 2kfb h ASP 156 Ca -0.00 0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 2kfb h ASP 156 Cb 0.48 0.22 -0.06 0.00 0.22 0.00 0.00 39.33 40.19 2kfb h ASP 156 CO 0.00 -0.07 0.13 -2.67 -1.72 0.00 0.00 179.24 174.91 2kfb n TRP 157 N -5.22 2.05 -3.21 4.55 2.14 -1.20 -4.96 117.44 111.59 2kfb n TRP 157 Ca 0.09 -0.88 -0.13 0.00 2.07 0.00 0.00 57.50 58.65 2kfb n TRP 157 Cb 0.34 -0.56 0.01 0.00 -0.81 0.00 0.00 31.31 30.29 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 0.22 -1.07 3.36 -1.67 0.00 0.89 -4.93 105.19 101.99 2kfb n GLY 158 Ca 0.31 0.83 -0.28 0.00 0.00 0.00 0.00 46.02 46.88 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 -2.66 2.22 -0.95 4.61 0.00 -1.11 -5.01 121.76 118.85 2kfb s ALA 159 Ca 0.13 -1.38 0.25 0.00 0.00 0.00 0.00 51.96 50.96 2kfb s ALA 159 Cb -0.03 -0.36 1.04 0.00 0.00 0.00 0.00 23.12 23.78 2kfb s ALA 159 CO 0.80 0.50 1.80 -2.37 0.00 0.00 0.00 175.76 176.49 2kfb n THR 160 N 1.09 0.32 -3.15 0.00 5.66 -1.26 -4.60 114.28 112.35 2kfb n THR 160 Ca -0.18 0.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 2kfb n THR 160 Cb 0.53 -0.65 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 2kfb n THR 160 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2kfb n ASN 161 N -1.62 0.00 -0.00 1.09 5.15 -1.26 -5.04 115.26 113.58 2kfb n ASN 161 Ca 0.06 -0.55 0.05 0.00 -0.60 0.00 0.00 54.58 53.54 2kfb n ASN 161 Cb 0.31 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.49 2kfb n ASN 161 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kfb n ALA 162 N -3.00 2.36 -0.94 5.20 0.00 -1.26 -4.86 120.51 118.00 2kfb n ALA 162 Ca 0.00 -0.22 -0.39 0.00 0.00 0.00 0.00 53.44 52.83 2kfb n ALA 162 Cb 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.80 0.00 -4.83 0.00 1.74 -1.26 -1.28 116.66 109.23 2kfb n ARG 163 Ca -0.02 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.81 2kfb n ARG 163 Cb 0.23 -0.89 -0.16 0.00 -1.02 0.00 0.00 32.46 30.62 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 2.36 1.40 -0.04 1.55 1.01 0.12 -4.46 120.40 122.34 2kfb s VAL 164 Ca 0.65 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2kfb s VAL 164 Cb -0.89 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 2kfb s VAL 164 CO 0.46 0.40 -0.01 0.61 0.00 0.00 0.00 175.10 176.56 2kfb n GLY 165 N 2.95 -0.12 3.83 4.51 0.00 0.14 -4.33 105.19 112.17 2kfb n GLY 165 Ca -0.17 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 2kfb n GLY 165 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfb s SER 166 N -3.90 -0.17 -0.19 1.61 0.01 -1.06 -2.08 113.70 107.92 2kfb s SER 166 Ca -0.04 -0.76 -0.23 0.00 1.31 0.00 0.00 55.95 56.23 2kfb s SER 166 Cb 0.01 0.75 0.06 0.00 0.21 0.00 0.00 66.02 67.06 2kfb s SER 166 CO 0.13 -1.42 0.61 -1.48 0.41 0.00 0.00 173.24 171.49 2kfb s LEU 167 N -2.96 -0.35 0.25 2.44 2.34 -1.02 -0.52 118.68 118.85 2kfb s LEU 167 Ca 0.13 1.08 0.04 0.00 0.06 0.00 0.00 54.13 55.44 2kfb s LEU 167 Cb -0.05 2.16 -0.05 0.00 -0.56 0.00 0.00 46.19 47.68 2kfb s LEU 167 CO 0.08 -0.30 0.01 0.00 -1.06 0.00 0.00 176.35 175.08 2kfb s ARG 168 N -0.06 1.39 -0.10 1.48 1.70 -1.10 -1.30 118.95 120.96 2kfb s ARG 168 Ca -0.03 -1.72 -0.04 0.00 -0.47 0.00 0.00 55.73 53.47 2kfb s ARG 168 Cb -0.04 -0.66 -0.04 0.00 -0.57 0.00 0.00 34.95 33.65 2kfb s ARG 168 CO 0.03 -0.11 0.06 -0.98 -1.08 0.00 0.00 175.30 173.21 2kfb s ARG 169 N -3.87 3.22 -0.21 3.89 1.70 -1.26 -0.48 118.95 121.94 2kfb s ARG 169 Ca 0.30 -0.29 -0.28 0.00 -0.47 0.00 0.00 55.73 54.99 2kfb s ARG 169 Cb 0.06 -2.97 0.00 0.00 -0.57 0.00 0.00 34.95 31.47 2kfb s ARG 169 CO 0.10 0.71 0.97 0.08 -1.08 0.00 0.00 175.30 176.08 2kfb s VAL 170 N -0.87 4.75 -0.09 4.99 1.01 0.62 -4.96 120.40 125.85 2kfb s VAL 170 Ca 0.13 1.90 0.03 0.00 0.00 0.00 0.00 61.98 64.04 2kfb s VAL 170 Cb -0.12 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.01 2kfb s VAL 170 CO 0.03 -0.11 -0.21 -0.63 0.00 0.00 0.00 175.10 174.18 2kfb s ILE 171 N 2.83 1.82 -0.31 2.22 1.09 -1.26 -4.51 121.20 123.08 2kfb s ILE 171 Ca 0.42 -0.88 0.22 0.00 -1.10 0.00 0.00 60.65 59.32 2kfb s ILE 171 Cb -0.16 -1.59 -0.20 0.00 -1.06 0.00 0.00 42.46 39.45 2kfb s ILE 171 CO 0.09 0.51 0.77 0.47 -0.10 0.00 0.00 174.94 176.68 2kfb n ASP 172 N 3.64 0.42 -0.11 3.58 8.00 -1.26 -4.31 116.55 126.51 2kfb n ASP 172 Ca -0.20 -0.08 -0.09 0.00 0.71 0.00 0.00 54.79 55.13 2kfb n ASP 172 Cb 0.53 1.28 -0.01 0.00 -0.02 0.00 0.00 41.12 42.89 2kfb n ASP 172 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2kfb h PHE 173 N 0.00 0.49 0.00 1.24 0.04 -1.94 -3.26 116.94 113.51 2kfb h PHE 173 Ca 0.00 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2kfb h PHE 173 Cb 0.88 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.88 2kfb h PHE 173 CO 0.00 0.40 0.00 0.45 -0.60 0.00 0.00 178.31 178.56