#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ksn s VAL 17 N 0.00 5.30 0.00 1.39 1.01 0.12 -4.01 120.40 124.20 1ksn s VAL 17 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1ksn s VAL 17 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1ksn s VAL 17 CO 0.00 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1ksn n GLY 18 N 3.71 1.19 1.17 4.51 0.00 -1.26 -2.25 105.19 112.26 1ksn n GLY 18 Ca -0.12 -0.72 0.16 0.00 0.00 0.00 0.00 46.02 45.34 1ksn n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ksn n GLY 19 N 0.00 -1.56 3.70 -0.02 0.00 -1.26 -4.92 105.19 101.12 1ksn n GLY 19 Ca 0.00 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 1ksn n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ksn s GLN 20 N -2.12 2.17 0.29 1.61 -1.52 -0.28 -4.93 119.66 114.88 1ksn s GLN 20 Ca 0.00 -1.83 -0.29 0.00 -1.95 0.00 0.00 55.36 51.30 1ksn s GLN 20 Cb 0.00 -1.94 -0.09 0.00 -0.22 0.00 0.00 33.01 30.75 1ksn s GLN 20 CO 0.00 -0.02 1.10 -1.21 -0.25 0.00 0.00 175.29 174.90 1ksn s GLU 21 N -3.83 4.58 -0.09 2.91 2.02 -1.26 -0.10 118.70 122.92 1ksn s GLU 21 Ca 0.38 1.78 -0.30 0.00 0.02 0.00 0.00 54.97 56.86 1ksn s GLU 21 Cb 0.03 -3.11 -0.03 0.00 0.10 0.00 0.00 34.13 31.12 1ksn s GLU 21 CO 0.21 0.16 1.35 0.00 0.02 0.00 0.00 175.26 177.00 1ksn s LYS 23 N 3.15 0.65 -0.08 0.00 -0.14 -1.26 -4.89 119.74 117.18 1ksn s LYS 23 Ca 0.60 -0.57 -0.35 0.00 -1.36 0.00 0.00 55.97 54.29 1ksn s LYS 23 Cb -0.26 -1.91 -0.12 0.00 -1.68 0.00 0.00 37.83 33.86 1ksn s LYS 23 CO 0.21 -2.36 1.84 -3.47 -0.76 0.00 0.00 175.35 170.81 1ksn n ASP 24 N -3.68 3.34 0.00 2.83 2.03 -1.26 -1.95 116.55 117.86 1ksn n ASP 24 Ca 0.16 0.99 0.00 0.00 0.52 0.00 0.00 54.79 56.46 1ksn n ASP 24 Cb 0.59 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 1ksn n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ksn n GLY 25 N 4.29 0.29 0.21 0.27 0.00 -1.26 -4.89 105.19 104.10 1ksn n GLY 25 Ca 0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 1ksn n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ksn h GLU 26 N 0.69 0.75 -2.17 1.61 5.08 -1.75 -3.38 114.58 115.42 1ksn h GLU 26 Ca 0.00 -0.64 -0.57 0.00 -1.00 0.00 0.00 59.36 57.14 1ksn h GLU 26 Cb 0.40 0.14 -0.41 0.00 0.50 0.00 0.00 28.75 29.38 1ksn h GLU 26 CO 0.00 1.25 -0.77 0.00 -1.00 0.00 0.00 179.01 178.49 1ksn h PRO 28 N 3.57 0.00 -0.01 0.00 0.13 -1.80 -2.89 132.00 131.00 1ksn h PRO 28 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1ksn h PRO 28 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1ksn h PRO 28 CO 0.73 0.00 -0.11 -2.67 -0.23 0.00 0.00 178.00 175.72 1ksn n TRP 29 N -3.05 0.00 -2.32 1.56 2.14 -1.07 -2.27 117.44 112.42 1ksn n TRP 29 Ca -0.00 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.15 1ksn n TRP 29 Cb 0.23 -0.12 -0.03 0.00 -0.81 0.00 0.00 31.31 30.58 1ksn n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1ksn s GLN 30 N -2.35 4.43 0.32 -2.67 2.00 -1.09 0.02 119.66 120.31 1ksn s GLN 30 Ca 0.31 1.92 0.09 0.00 -2.00 0.00 0.00 55.36 55.69 1ksn s GLN 30 Cb 0.20 -3.25 -0.06 0.00 0.80 0.00 0.00 33.01 30.70 1ksn s GLN 30 CO 0.45 -0.20 -0.10 0.00 -0.50 0.00 0.00 175.29 174.94 1ksn s ALA 31 N 0.34 2.75 -0.06 1.58 0.00 -0.05 -4.26 121.76 122.07 1ksn s ALA 31 Ca 0.56 -2.01 -0.03 0.00 0.00 0.00 0.00 51.96 50.49 1ksn s ALA 31 Cb -0.33 -0.02 0.04 0.00 0.00 0.00 0.00 23.12 22.80 1ksn s ALA 31 CO 0.35 0.07 0.08 -1.17 0.00 0.00 0.00 175.76 175.08 1ksn s LEU 32 N -3.55 0.13 -0.13 0.00 2.96 0.40 -1.92 118.68 116.58 1ksn s LEU 32 Ca 0.31 0.03 -0.29 0.00 -0.22 0.00 0.00 54.13 53.96 1ksn s LEU 32 Cb 0.02 -0.10 -0.01 0.00 0.50 0.00 0.00 46.19 46.60 1ksn s LEU 32 CO 0.15 -0.26 1.10 -0.76 -1.32 0.00 0.00 176.35 175.25 1ksn s LEU 33 N 2.18 4.21 0.07 -0.68 1.43 -0.08 -0.53 118.68 125.29 1ksn s LEU 33 Ca 0.04 1.59 0.09 0.00 -1.03 0.00 0.00 54.13 54.83 1ksn s LEU 33 Cb -0.12 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 1ksn s LEU 33 CO -0.04 -0.57 -0.23 0.27 0.23 0.00 0.00 176.35 176.00 1ksn s ILE 34 N 2.50 2.41 0.68 -0.59 -4.36 -0.04 -0.65 121.20 121.15 1ksn s ILE 34 Ca 0.50 -1.43 -0.03 0.00 -0.26 0.00 0.00 60.65 59.43 1ksn s ILE 34 Cb -0.20 -2.01 0.08 0.00 1.25 0.00 0.00 42.46 41.59 1ksn s ILE 34 CO 0.16 0.27 0.96 0.54 0.24 0.00 0.00 174.94 177.11 1ksn s ASN 35 N -1.57 4.67 0.63 4.36 4.22 -0.68 -0.89 114.94 125.69 1ksn s ASN 35 Ca 0.14 0.04 0.28 0.00 -2.14 0.00 0.00 52.86 51.17 1ksn s ASN 35 Cb -0.10 -0.62 1.46 0.00 1.28 0.00 0.00 41.25 43.26 1ksn s ASN 35 CO 0.05 -1.64 1.85 1.05 -2.04 0.00 0.00 177.10 176.37 1ksn h GLU 36 N -0.46 0.00 -0.63 3.55 -0.00 -1.85 0.32 114.58 115.50 1ksn h GLU 36 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.95 1ksn h GLU 36 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.04 1ksn h GLU 36 CO 0.50 0.00 0.00 0.39 -0.00 0.00 0.00 179.01 179.90 1ksn n GLU 37 N -3.27 3.24 -1.41 1.06 -0.58 -1.26 -4.93 120.64 113.49 1ksn n GLU 37 Ca 0.04 -2.24 -0.14 0.00 -0.42 0.00 0.00 57.16 54.39 1ksn n GLU 37 Cb 0.58 -1.80 -0.06 0.00 -0.57 0.00 0.00 31.44 29.59 1ksn n GLU 37 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1ksn n ASN 38 N 0.78 -4.74 -4.63 1.62 5.03 0.11 -5.00 115.26 108.43 1ksn n ASN 38 Ca 0.20 0.35 -0.35 0.00 0.87 0.00 0.00 54.58 55.65 1ksn n ASN 38 Cb 0.75 -3.48 -0.10 0.00 -1.02 0.00 0.00 39.78 35.93 1ksn n ASN 38 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1ksn s GLU 39 N -3.18 3.99 0.12 3.52 2.56 -1.26 -4.83 118.70 119.62 1ksn s GLU 39 Ca 0.00 -0.32 -0.31 0.00 0.00 0.00 0.00 54.97 54.34 1ksn s GLU 39 Cb 0.00 -3.36 -0.08 0.00 2.00 0.00 0.00 34.13 32.69 1ksn s GLU 39 CO 0.00 0.14 1.34 0.20 -0.56 0.00 0.00 175.26 176.38 1ksn s GLY 40 N 0.77 2.13 0.00 -1.50 0.00 -1.26 -1.68 107.32 105.78 1ksn s GLY 40 Ca 0.05 1.07 0.00 0.00 0.00 0.00 0.00 44.72 45.84 1ksn s GLY 40 CO 0.02 2.24 0.00 1.97 0.00 0.00 0.00 173.10 177.33 1ksn n PHE 41 N 3.72 0.00 -3.96 1.90 1.16 0.17 -4.96 117.46 115.49 1ksn n PHE 41 Ca 0.10 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.59 1ksn n PHE 41 Cb 0.43 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.25 1ksn n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1ksn n GLY 43 N -0.38 3.18 3.72 0.00 0.00 0.69 -0.90 105.19 111.51 1ksn n GLY 43 Ca -0.03 -2.21 -0.01 0.00 0.00 0.00 0.00 46.02 43.77 1ksn n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ksn s GLY 44 N -2.12 -0.27 -0.10 -0.02 0.00 -0.81 -3.51 107.32 100.49 1ksn s GLY 44 Ca 0.06 0.31 0.01 0.00 0.00 0.00 0.00 44.72 45.11 1ksn s GLY 44 CO 0.04 0.54 -0.12 -1.59 0.00 0.00 0.00 173.10 171.97 1ksn s THR 45 N -2.76 1.29 -0.01 0.90 2.01 -0.04 -0.87 115.64 116.16 1ksn s THR 45 Ca 0.15 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.34 1ksn s THR 45 Cb 0.01 -1.21 -0.06 0.00 0.01 0.00 0.00 72.50 71.25 1ksn s THR 45 CO -0.00 0.40 1.56 -0.63 -0.69 0.00 0.00 174.62 175.26 1ksn s ILE 46 N 1.14 3.51 -0.19 1.82 1.01 0.10 -1.15 121.20 127.44 1ksn s ILE 46 Ca -0.05 0.81 0.11 0.00 0.00 0.00 0.00 60.65 61.52 1ksn s ILE 46 Cb -0.14 -3.52 -0.19 0.00 0.01 0.00 0.00 42.46 38.61 1ksn s ILE 46 CO -0.03 -0.03 -0.02 0.18 0.00 0.00 0.00 174.94 175.04 1ksn n LEU 47 N 6.13 0.97 -3.83 2.97 4.77 0.28 -1.46 117.00 126.83 1ksn n LEU 47 Ca 0.15 -0.04 -0.08 0.00 -0.03 0.00 0.00 56.01 56.02 1ksn n LEU 47 Cb 0.42 0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1ksn n LEU 47 CO 0.61 0.58 0.61 -0.94 -1.33 0.00 0.00 177.39 176.91 1ksn s SER 48 N -5.49 0.03 0.58 -1.43 1.04 -1.08 -4.67 113.70 102.68 1ksn s SER 48 Ca -0.16 -1.07 0.28 0.00 0.48 0.00 0.00 55.95 55.47 1ksn s SER 48 Cb 0.06 0.78 1.74 0.00 0.10 0.00 0.00 66.02 68.70 1ksn s SER 48 CO 0.65 -1.55 2.24 1.05 0.98 0.00 0.00 173.24 176.61 1ksn h GLU 49 N 2.00 0.00 0.00 4.02 4.11 -1.98 -3.10 114.58 119.63 1ksn h GLU 49 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 1ksn h GLU 49 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1ksn h GLU 49 CO 0.41 0.00 -1.41 1.19 0.07 0.00 0.00 179.01 179.27 1ksn n PHE 50 N -3.95 0.00 -4.72 2.06 3.72 -1.26 0.61 117.46 113.92 1ksn n PHE 50 Ca -0.03 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.04 1ksn n PHE 50 Cb 0.09 -0.24 -0.14 0.00 -0.94 0.00 0.00 39.48 38.26 1ksn n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1ksn s TYR 51 N -2.72 2.84 -0.15 1.38 2.02 -1.17 -1.29 117.35 118.26 1ksn s TYR 51 Ca -0.03 -0.47 -0.00 0.00 -0.37 0.00 0.00 57.07 56.19 1ksn s TYR 51 Cb 0.08 -1.83 -0.00 0.00 -0.40 0.00 0.00 41.96 39.80 1ksn s TYR 51 CO 0.49 -0.09 -0.14 0.42 -1.57 0.00 0.00 175.55 174.65 1ksn s ILE 52 N 0.13 2.78 -0.14 2.71 -1.09 -0.46 -0.55 121.20 124.57 1ksn s ILE 52 Ca -0.05 -0.73 -0.15 0.00 -2.23 0.00 0.00 60.65 57.48 1ksn s ILE 52 Cb -0.15 -2.18 -0.04 0.00 -1.58 0.00 0.00 42.46 38.51 1ksn s ILE 52 CO 0.04 0.51 0.36 -0.22 -1.23 0.00 0.00 174.94 174.41 1ksn s LEU 53 N 0.77 4.26 0.00 2.97 2.96 -0.30 -0.51 118.68 128.83 1ksn s LEU 53 Ca -0.06 0.63 0.00 0.00 -0.22 0.00 0.00 54.13 54.48 1ksn s LEU 53 Cb -0.15 -2.50 -0.00 0.00 0.50 0.00 0.00 46.19 44.04 1ksn s LEU 53 CO 0.01 0.06 0.09 1.07 -1.32 0.00 0.00 176.35 176.26 1ksn n THR 54 N 3.61 0.00 -3.48 3.68 5.66 -0.03 -0.86 114.28 122.86 1ksn n THR 54 Ca -0.10 -0.38 -0.37 0.00 -3.05 0.00 0.00 64.05 60.15 1ksn n THR 54 Cb 0.52 0.22 -0.06 0.00 -1.55 0.00 0.00 70.33 69.45 1ksn n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ksn s ALA 55 N -1.92 3.59 0.34 1.79 0.00 -1.26 -1.06 121.76 123.24 1ksn s ALA 55 Ca 0.06 -0.34 0.05 0.00 0.00 0.00 0.00 51.96 51.73 1ksn s ALA 55 Cb -0.00 -2.45 0.69 0.00 0.00 0.00 0.00 23.12 21.36 1ksn s ALA 55 CO 0.04 0.16 1.93 0.00 0.00 0.00 0.00 175.76 177.89 1ksn h ALA 56 N 6.27 1.67 0.00 0.00 0.00 -1.72 -0.29 119.26 125.19 1ksn h ALA 56 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ksn h ALA 56 Cb 1.18 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1ksn h ALA 56 CO 0.72 0.19 0.00 1.12 0.00 0.00 0.00 179.25 181.28 1ksn h HIS 57 N 0.83 0.00 -0.11 0.00 2.07 -1.92 -2.28 115.15 113.73 1ksn h HIS 57 Ca 0.36 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.67 1ksn h HIS 57 Cb 0.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.30 1ksn h HIS 57 CO -0.00 0.00 -0.78 0.00 -3.07 0.00 0.00 177.93 174.08 1ksn n LEU 59 N -3.89 0.10 0.00 0.00 4.77 -0.86 0.06 117.00 117.19 1ksn n LEU 59 Ca -0.06 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1ksn n LEU 59 Cb 0.74 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1ksn n LEU 59 CO 0.51 0.02 -0.25 -1.22 -1.33 0.00 0.00 177.39 175.13 1ksn n TYR 60 N 0.33 0.00 1.99 -1.77 0.53 -1.18 -4.76 117.16 112.31 1ksn n TYR 60 Ca 0.00 0.00 0.09 0.00 -1.02 0.00 0.00 57.90 56.97 1ksn n TYR 60 Cb 0.02 0.00 0.54 0.00 -1.03 0.00 0.00 39.34 38.87 1ksn n TYR 60 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 1ksn n GLN 61 N -1.04 1.00 -3.61 -0.72 3.00 0.11 -4.84 117.38 111.28 1ksn n GLN 61 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 1ksn n GLN 61 Cb 0.00 -1.29 -0.07 0.00 0.00 0.00 0.00 30.24 28.89 1ksn n GLN 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ksn s ALA 61 N -2.00 -1.82 0.03 -1.58 0.00 -1.26 -5.05 121.76 110.08 1ksn s ALA 61 Ca 0.27 1.85 -0.29 0.00 0.00 0.00 0.00 51.96 53.79 1ksn s ALA 61 Cb 0.13 -0.97 -0.17 0.00 0.00 0.00 0.00 23.12 22.11 1ksn s ALA 61 CO 0.21 -0.33 1.28 -0.22 0.00 0.00 0.00 175.76 176.70 1ksn h LYS 62 N 4.37 -0.85 -5.35 0.00 1.63 -1.96 -3.44 116.57 110.97 1ksn h LYS 62 Ca -0.28 0.06 -0.56 0.00 -0.85 0.00 0.00 60.65 59.02 1ksn h LYS 62 Cb 1.16 0.19 -0.31 0.00 -0.60 0.00 0.00 32.23 32.67 1ksn h LYS 62 CO 0.14 -0.53 -0.84 -0.98 -3.45 0.00 0.00 179.45 173.79 1ksn s ARG 63 N -5.08 1.69 0.09 1.90 1.70 -1.26 -5.11 118.95 112.87 1ksn s ARG 63 Ca -0.15 -0.60 -0.07 0.00 -0.47 0.00 0.00 55.73 54.44 1ksn s ARG 63 Cb 0.02 -1.50 -0.01 0.00 -0.57 0.00 0.00 34.95 32.89 1ksn s ARG 63 CO 0.50 0.27 0.14 -0.59 -1.08 0.00 0.00 175.30 174.54 1ksn s PHE 64 N -0.05 0.27 0.34 5.89 -0.71 -1.26 -2.62 117.98 119.85 1ksn s PHE 64 Ca -0.02 -0.72 0.03 0.00 -1.04 0.00 0.00 56.93 55.18 1ksn s PHE 64 Cb -0.10 -0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.52 1ksn s PHE 64 CO 0.02 -0.52 0.14 0.15 -1.34 0.00 0.00 175.22 173.66 1ksn s LYS 65 N -3.89 1.72 -0.12 1.99 1.02 -0.06 -4.61 119.74 115.78 1ksn s LYS 65 Ca 0.07 -2.00 0.01 0.00 0.02 0.00 0.00 55.97 54.07 1ksn s LYS 65 Cb 0.06 -0.38 -0.01 0.00 -0.52 0.00 0.00 37.83 36.98 1ksn s LYS 65 CO -0.10 -0.42 -0.16 0.08 -0.92 0.00 0.00 175.35 173.83 1ksn s VAL 66 N -3.43 2.77 -0.15 3.17 1.01 0.26 -0.86 120.40 123.17 1ksn s VAL 66 Ca 0.32 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1ksn s VAL 66 Cb 0.05 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1ksn s VAL 66 CO 0.16 0.53 -0.19 -0.60 0.00 0.00 0.00 175.10 175.01 1ksn s ARG 67 N 0.35 3.12 0.24 2.72 3.52 0.31 0.19 118.95 129.41 1ksn s ARG 67 Ca -0.13 -0.80 0.11 0.00 -0.13 0.00 0.00 55.73 54.78 1ksn s ARG 67 Cb -0.16 -2.53 -0.05 0.00 -1.56 0.00 0.00 34.95 30.65 1ksn s ARG 67 CO 0.07 0.00 -0.15 0.14 -0.81 0.00 0.00 175.30 174.55 1ksn s VAL 68 N 0.81 2.80 0.00 7.11 -7.23 -0.32 -0.46 120.40 123.11 1ksn s VAL 68 Ca -0.06 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.01 1ksn s VAL 68 Cb -0.15 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.35 1ksn s VAL 68 CO -0.01 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.10 1ksn n GLY 69 N -0.40 0.77 3.77 2.32 0.00 -1.23 -1.66 105.19 108.77 1ksn n GLY 69 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 1ksn n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ksn s ASP 70 N -2.55 6.96 0.00 1.61 -1.08 -1.26 -3.96 116.67 116.39 1ksn s ASP 70 Ca 0.00 1.14 0.00 0.00 -0.52 0.00 0.00 52.55 53.17 1ksn s ASP 70 Cb 0.00 -2.35 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 1ksn s ASP 70 CO 0.00 0.14 0.00 0.54 0.52 0.00 0.00 175.17 176.37 1ksn n ARG 71 N 2.55 2.16 -3.45 4.34 1.74 -1.26 -4.84 116.66 117.89 1ksn n ARG 71 Ca -0.08 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.82 1ksn n ARG 71 Cb 0.51 -0.80 -0.11 0.00 -1.02 0.00 0.00 32.46 31.03 1ksn n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1ksn s ASN 72 N -1.29 1.56 0.00 0.55 3.04 -1.25 -1.34 114.94 116.21 1ksn s ASN 72 Ca 0.00 -0.46 0.00 0.00 0.04 0.00 0.00 52.86 52.44 1ksn s ASN 72 Cb 0.00 0.43 0.00 0.00 -1.54 0.00 0.00 41.25 40.14 1ksn s ASN 72 CO 0.00 -0.36 1.02 0.35 -3.04 0.00 0.00 177.10 175.08 1ksn n THR 73 N 5.31 1.02 -1.13 -5.21 -2.24 0.54 -2.89 114.28 109.69 1ksn n THR 73 Ca -0.04 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1ksn n THR 73 Cb 0.48 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 1ksn n THR 73 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ksn n GLU 74 N 1.54 0.00 -3.67 -0.78 1.02 -1.26 -5.02 120.64 112.47 1ksn n GLU 74 Ca 0.00 -0.11 -0.08 0.00 -0.02 0.00 0.00 57.16 56.95 1ksn n GLU 74 Cb 0.28 -0.44 -0.09 0.00 -0.02 0.00 0.00 31.44 31.18 1ksn n GLU 74 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1ksn s GLN 75 N 0.00 0.46 -1.10 3.49 -0.21 -1.14 -5.08 119.66 116.08 1ksn s GLN 75 Ca 0.00 1.01 -0.22 0.00 0.02 0.00 0.00 55.36 56.17 1ksn s GLN 75 Cb 0.00 0.19 0.04 0.00 1.00 0.00 0.00 33.01 34.24 1ksn s GLN 75 CO 0.00 -0.18 1.59 -2.00 -2.12 0.00 0.00 175.29 172.58 1ksn s GLU 76 N 1.91 3.59 0.11 2.91 2.12 -1.26 -4.81 118.70 123.27 1ksn s GLU 76 Ca -0.07 -1.32 -0.25 0.00 0.36 0.00 0.00 54.97 53.68 1ksn s GLU 76 Cb -0.09 -5.39 -0.09 0.00 0.26 0.00 0.00 34.13 28.83 1ksn s GLU 76 CO -0.15 -2.38 1.67 1.49 -0.54 0.00 0.00 175.26 175.35 1ksn h GLU 77 N 9.24 -0.33 0.00 4.30 4.81 -1.97 -3.47 114.58 127.16 1ksn h GLU 77 Ca 0.27 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1ksn h GLU 77 Cb 0.97 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1ksn h GLU 77 CO 1.41 -0.22 0.00 0.41 -0.73 0.00 0.00 179.01 179.89 1ksn n GLY 78 N -1.31 1.25 0.10 1.92 0.00 -1.26 -4.98 105.19 100.92 1ksn n GLY 78 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1ksn n GLY 78 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ksn h GLY 79 N 0.00 0.00 -1.22 -0.02 0.00 -1.91 -3.47 103.07 96.45 1ksn h GLY 79 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 1ksn h GLY 79 CO 0.00 0.00 -0.04 1.18 0.00 0.00 0.00 176.54 177.68 1ksn n GLU 80 N -2.30 -1.83 -3.48 4.80 4.71 -1.25 -4.63 120.64 116.65 1ksn n GLU 80 Ca 0.05 -0.49 0.00 0.00 -0.01 0.00 0.00 57.16 56.71 1ksn n GLU 80 Cb 0.44 -2.18 -0.04 0.00 -1.01 0.00 0.00 31.44 28.65 1ksn n GLU 80 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ksn s ALA 81 N -2.46 -2.52 -0.09 0.62 0.00 -0.66 -4.96 121.76 111.68 1ksn s ALA 81 Ca 0.67 2.13 -0.15 0.00 0.00 0.00 0.00 51.96 54.62 1ksn s ALA 81 Cb -0.24 -1.95 -0.05 0.00 0.00 0.00 0.00 23.12 20.88 1ksn s ALA 81 CO 0.63 -0.87 0.36 0.08 0.00 0.00 0.00 175.76 175.97 1ksn s VAL 82 N 2.40 5.20 0.00 0.00 1.01 -1.26 -1.18 120.40 126.57 1ksn s VAL 82 Ca -0.04 0.72 0.06 0.00 0.00 0.00 0.00 61.98 62.71 1ksn s VAL 82 Cb -0.07 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1ksn s VAL 82 CO -0.18 0.46 -0.17 -1.00 0.00 0.00 0.00 175.10 174.21 1ksn s HIS 83 N -0.13 1.54 0.12 5.22 3.76 0.50 -4.98 115.29 121.31 1ksn s HIS 83 Ca 0.21 -0.31 -0.17 0.00 -0.15 0.00 0.00 55.06 54.64 1ksn s HIS 83 Cb -0.15 -0.97 -0.07 0.00 1.11 0.00 0.00 32.58 32.51 1ksn s HIS 83 CO 0.09 0.00 0.58 -1.21 -0.85 0.00 0.00 174.74 173.35 1ksn s GLU 84 N -0.61 4.12 -0.10 1.40 2.02 -1.26 -0.58 118.70 123.70 1ksn s GLU 84 Ca 0.06 0.66 -0.21 0.00 0.02 0.00 0.00 54.97 55.51 1ksn s GLU 84 Cb -0.07 -3.08 -0.04 0.00 0.10 0.00 0.00 34.13 31.04 1ksn s GLU 84 CO -0.00 0.55 0.58 0.08 0.02 0.00 0.00 175.26 176.49 1ksn s VAL 85 N -1.29 5.12 -0.21 2.63 1.01 -1.26 0.49 120.40 126.89 1ksn s VAL 85 Ca 0.34 1.18 -0.15 0.00 0.00 0.00 0.00 61.98 63.35 1ksn s VAL 85 Cb -0.17 -3.92 -0.19 0.00 0.00 0.00 0.00 36.38 32.10 1ksn s VAL 85 CO 0.19 0.29 0.08 1.21 0.00 0.00 0.00 175.10 176.87 1ksn n GLU 86 N 3.74 0.62 -4.42 2.72 2.13 0.39 -4.71 120.64 121.11 1ksn n GLU 86 Ca -0.04 0.41 -0.20 0.00 0.66 0.00 0.00 57.16 57.98 1ksn n GLU 86 Cb 0.51 -1.66 -0.15 0.00 0.27 0.00 0.00 31.44 30.41 1ksn n GLU 86 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1ksn s VAL 87 N -2.45 0.82 -0.17 6.31 1.01 -0.61 -4.98 120.40 120.33 1ksn s VAL 87 Ca -0.30 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1ksn s VAL 87 Cb 0.08 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.75 1ksn s VAL 87 CO 0.61 0.25 -0.18 0.68 0.00 0.00 0.00 175.10 176.46 1ksn s VAL 88 N 0.10 2.33 -0.50 2.92 -7.23 -1.26 0.12 120.40 116.87 1ksn s VAL 88 Ca -0.02 -0.86 -0.07 0.00 -1.81 0.00 0.00 61.98 59.22 1ksn s VAL 88 Cb -0.08 -1.98 0.13 0.00 0.56 0.00 0.00 36.38 35.01 1ksn s VAL 88 CO 0.00 0.52 0.35 -0.63 -0.31 0.00 0.00 175.10 175.04 1ksn s ILE 89 N 1.16 4.00 0.23 -0.62 1.01 0.34 -4.98 121.20 122.35 1ksn s ILE 89 Ca 0.01 -2.08 -0.10 0.00 0.00 0.00 0.00 60.65 58.48 1ksn s ILE 89 Cb -0.14 -3.64 -0.07 0.00 0.01 0.00 0.00 42.46 38.62 1ksn s ILE 89 CO -0.08 -0.79 0.56 -0.75 0.00 0.00 0.00 174.94 173.88 1ksn s LYS 90 N 1.00 3.81 0.01 2.79 2.20 -1.26 -0.48 119.74 127.80 1ksn s LYS 90 Ca 0.09 0.28 -0.30 0.00 -0.36 0.00 0.00 55.97 55.68 1ksn s LYS 90 Cb -0.23 -2.64 -0.06 0.00 -1.51 0.00 0.00 37.83 33.39 1ksn s LYS 90 CO -0.03 0.31 1.45 -1.58 -0.36 0.00 0.00 175.35 175.14 1ksn s HIS 91 N -1.83 2.75 0.28 4.03 5.65 -1.10 -4.88 115.29 120.20 1ksn s HIS 91 Ca 0.48 0.72 0.03 0.00 0.25 0.00 0.00 55.06 56.53 1ksn s HIS 91 Cb -0.11 -3.72 0.66 0.00 -1.18 0.00 0.00 32.58 28.23 1ksn s HIS 91 CO 0.21 -2.72 1.73 -2.95 -0.65 0.00 0.00 174.74 170.36 1ksn h ASN 92 N 7.97 0.49 -0.22 9.88 -1.07 -1.94 -0.87 115.58 129.83 1ksn h ASN 92 Ca -0.39 0.12 0.00 0.00 0.07 0.00 0.00 56.30 56.11 1ksn h ASN 92 Cb 1.18 0.05 0.00 0.00 -2.07 0.00 0.00 38.32 37.49 1ksn h ASN 92 CO 0.91 0.13 0.00 0.54 0.07 0.00 0.00 177.43 179.08 1ksn n ARG 93 N -4.93 2.33 -2.21 4.14 1.74 -1.26 -4.93 116.66 111.53 1ksn n ARG 93 Ca 0.21 -1.13 -0.42 0.00 -0.77 0.00 0.00 57.85 55.74 1ksn n ARG 93 Cb 0.56 -1.71 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 1ksn n ARG 93 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1ksn s PHE 94 N -1.64 3.21 -0.22 -1.55 5.36 -0.34 -4.63 117.98 118.18 1ksn s PHE 94 Ca 0.20 0.98 0.00 0.00 -0.96 0.00 0.00 56.93 57.15 1ksn s PHE 94 Cb 0.14 -3.64 0.03 0.00 -0.34 0.00 0.00 43.02 39.21 1ksn s PHE 94 CO 0.07 -2.24 -0.13 0.95 -1.46 0.00 0.00 175.22 172.41 1ksn s THR 95 N 1.30 2.38 0.46 0.12 -4.23 -0.73 -5.01 115.64 109.94 1ksn s THR 95 Ca 0.64 -1.11 0.17 0.00 -1.18 0.00 0.00 61.69 60.21 1ksn s THR 95 Cb -0.35 -2.16 0.22 0.00 1.34 0.00 0.00 72.50 71.54 1ksn s THR 95 CO 0.30 0.30 2.03 0.07 -0.54 0.00 0.00 174.62 176.78 1ksn h LYS 96 N 7.93 0.00 -0.20 3.99 2.10 -1.95 0.22 116.57 128.66 1ksn h LYS 96 Ca -0.36 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.17 1ksn h LYS 96 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1ksn h LYS 96 CO 0.58 0.14 -0.36 1.49 -2.00 0.00 0.00 179.45 179.30 1ksn h GLU 97 N 0.00 0.61 0.00 0.07 4.57 -1.97 -3.34 114.58 114.52 1ksn h GLU 97 Ca -0.00 -0.38 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1ksn h GLU 97 Cb 0.27 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1ksn h GLU 97 CO 0.02 0.99 -1.19 0.25 -1.18 0.00 0.00 179.01 177.90 1ksn n THR 98 N -4.27 0.00 -1.39 0.32 -2.24 -1.18 -4.97 114.28 100.55 1ksn n THR 98 Ca -0.06 -0.16 -0.11 0.00 -2.27 0.00 0.00 64.05 61.45 1ksn n THR 98 Cb 0.51 0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 69.43 1ksn n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1ksn n TYR 99 N -1.66 -0.04 -2.66 4.78 4.02 0.77 -4.99 117.16 117.39 1ksn n TYR 99 Ca 0.02 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.56 1ksn n TYR 99 Cb 0.36 -2.14 -0.05 0.00 -0.02 0.00 0.00 39.34 37.50 1ksn n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1ksn s ASP 100 N -2.86 6.73 -1.23 7.72 2.15 -1.17 -3.66 116.67 124.36 1ksn s ASP 100 Ca 0.00 1.87 -0.01 0.00 0.43 0.00 0.00 52.55 54.84 1ksn s ASP 100 Cb 0.00 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 1ksn s ASP 100 CO 0.00 -0.51 1.01 0.49 -0.17 0.00 0.00 175.17 175.99 1ksn n PHE 101 N -0.50 -2.26 -2.67 -5.34 3.01 -1.26 -1.77 117.46 106.67 1ksn n PHE 101 Ca 0.07 0.94 -0.43 0.00 1.01 0.00 0.00 57.45 59.04 1ksn n PHE 101 Cb 0.52 -5.05 0.00 0.00 -0.01 0.00 0.00 39.48 34.95 1ksn n PHE 101 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1ksn n ASP 102 N -3.11 5.17 -3.80 4.37 2.03 -1.24 -4.24 116.55 115.73 1ksn n ASP 102 Ca -0.25 -3.04 -0.12 0.00 0.52 0.00 0.00 54.79 51.89 1ksn n ASP 102 Cb 0.66 -1.53 -0.10 0.00 -0.72 0.00 0.00 41.12 39.43 1ksn n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ksn s ILE 103 N 0.99 0.05 0.03 5.18 2.07 -1.26 -4.13 121.20 124.13 1ksn s ILE 103 Ca 0.41 -0.43 -0.26 0.00 -1.41 0.00 0.00 60.65 58.96 1ksn s ILE 103 Cb 0.03 -0.50 0.06 0.00 0.13 0.00 0.00 42.46 42.19 1ksn s ILE 103 CO 0.00 -0.24 0.60 0.00 -1.91 0.00 0.00 174.94 173.40 1ksn s ALA 104 N -0.99 -1.57 -0.03 1.50 0.00 -0.22 -2.70 121.76 117.75 1ksn s ALA 104 Ca -0.11 0.86 0.05 0.00 0.00 0.00 0.00 51.96 52.77 1ksn s ALA 104 Cb -0.05 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.40 1ksn s ALA 104 CO 0.02 -0.51 -0.19 0.08 0.00 0.00 0.00 175.76 175.17 1ksn s VAL 105 N -2.23 1.52 -0.17 0.00 1.01 0.37 -0.85 120.40 120.04 1ksn s VAL 105 Ca -0.06 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.13 1ksn s VAL 105 Cb -0.01 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1ksn s VAL 105 CO 0.00 0.43 -0.15 -0.76 0.00 0.00 0.00 175.10 174.63 1ksn s LEU 106 N -0.19 2.44 -0.23 3.92 1.43 0.34 0.13 118.68 126.51 1ksn s LEU 106 Ca 0.01 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 52.46 1ksn s LEU 106 Cb -0.10 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1ksn s LEU 106 CO 0.01 0.04 0.32 -0.60 0.23 0.00 0.00 176.35 176.35 1ksn s ARG 107 N 1.07 4.11 0.24 1.70 3.52 0.32 -1.35 118.95 128.56 1ksn s ARG 107 Ca -0.00 0.01 -0.20 0.00 -0.13 0.00 0.00 55.73 55.41 1ksn s ARG 107 Cb -0.14 -3.56 -0.08 0.00 -1.56 0.00 0.00 34.95 29.60 1ksn s ARG 107 CO -0.04 -0.05 0.75 -0.51 -0.81 0.00 0.00 175.30 174.63 1ksn s LEU 108 N 1.38 4.31 0.10 -0.88 1.43 -0.41 0.15 118.68 124.76 1ksn s LEU 108 Ca 0.14 1.45 -0.26 0.00 -1.03 0.00 0.00 54.13 54.43 1ksn s LEU 108 Cb -0.15 -3.69 -0.12 0.00 0.03 0.00 0.00 46.19 42.27 1ksn s LEU 108 CO 0.07 -0.01 1.68 0.11 0.23 0.00 0.00 176.35 178.44 1ksn h LYS 109 N 3.26 -0.30 -6.30 1.70 1.57 -0.24 -3.42 116.57 112.84 1ksn h LYS 109 Ca -0.48 0.02 -0.67 0.00 -1.87 0.00 0.00 60.65 57.65 1ksn h LYS 109 Cb 1.19 0.07 -0.16 0.00 0.08 0.00 0.00 32.23 33.41 1ksn h LYS 109 CO 0.65 -0.20 -0.69 0.95 -0.57 0.00 0.00 179.45 179.59 1ksn s THR 110 N -6.13 3.73 0.63 -0.16 -4.23 -1.26 -5.00 115.64 103.20 1ksn s THR 110 Ca -0.15 -0.81 -0.18 0.00 -1.18 0.00 0.00 61.69 59.37 1ksn s THR 110 Cb 0.07 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.24 1ksn s THR 110 CO 0.65 0.34 1.23 -2.16 -0.54 0.00 0.00 174.62 174.15 1ksn s PRO 111 N -1.58 2.75 -0.06 3.99 0.04 -1.26 -4.89 135.00 133.98 1ksn s PRO 111 Ca 0.19 1.89 -0.25 0.00 0.04 0.00 0.00 61.00 62.86 1ksn s PRO 111 Cb -0.11 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1ksn s PRO 111 CO 0.09 -1.40 0.77 0.42 0.04 0.00 0.00 177.00 176.93 1ksn s ILE 112 N -1.58 5.00 -0.38 0.56 1.01 0.20 -5.00 121.20 121.01 1ksn s ILE 112 Ca 0.79 1.59 -0.19 0.00 0.00 0.00 0.00 60.65 62.84 1ksn s ILE 112 Cb -0.32 -4.11 0.01 0.00 0.01 0.00 0.00 42.46 38.04 1ksn s ILE 112 CO 0.37 0.22 0.54 -0.89 0.00 0.00 0.00 174.94 175.18 1ksn s THR 113 N 0.91 4.97 0.05 2.92 2.01 -1.26 -4.70 115.64 120.54 1ksn s THR 113 Ca 0.41 0.21 -0.31 0.00 0.31 0.00 0.00 61.69 62.32 1ksn s THR 113 Cb -0.18 -4.04 -0.07 0.00 0.01 0.00 0.00 72.50 68.22 1ksn s THR 113 CO 0.20 -0.34 1.42 -0.36 -0.69 0.00 0.00 174.62 174.85 1ksn s PHE 114 N 2.49 2.96 0.00 4.92 0.08 -1.26 -4.93 117.98 122.23 1ksn s PHE 114 Ca 0.19 0.83 0.00 0.00 0.12 0.00 0.00 56.93 58.07 1ksn s PHE 114 Cb -0.15 -3.69 0.00 0.00 -0.57 0.00 0.00 43.02 38.61 1ksn s PHE 114 CO 0.15 -2.53 0.00 2.89 -0.10 0.00 0.00 175.22 175.63 1ksn n ARG 115 N 4.88 0.00 -1.87 0.44 1.85 -0.24 -5.01 116.66 116.71 1ksn n ARG 115 Ca 0.13 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.56 1ksn n ARG 115 Cb 0.43 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.81 1ksn n ARG 115 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 177.63 179.03 1ksn s MET 116 N -0.34 4.18 -0.66 2.89 -2.45 -1.26 -1.32 119.30 120.33 1ksn s MET 116 Ca 0.00 2.45 0.00 0.00 -1.25 0.00 0.00 55.69 56.89 1ksn s MET 116 Cb 0.00 -3.10 0.00 0.00 1.25 0.00 0.00 34.83 32.98 1ksn s MET 116 CO 0.00 -0.61 0.00 0.09 1.05 0.00 0.00 175.02 175.55 1ksn n ASN 117 N 3.33 -4.32 -3.40 1.11 3.02 -1.26 -4.93 115.26 108.81 1ksn n ASN 117 Ca 0.12 0.15 -0.15 0.00 -0.03 0.00 0.00 54.58 54.67 1ksn n ASN 117 Cb 0.38 -2.37 -0.10 0.00 -0.61 0.00 0.00 39.78 37.08 1ksn n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ksn s VAL 118 N -2.04 -0.44 0.06 2.41 1.01 -0.44 -3.50 120.40 117.47 1ksn s VAL 118 Ca 0.00 -0.33 -0.26 0.00 0.00 0.00 0.00 61.98 61.40 1ksn s VAL 118 Cb 0.00 -0.89 0.07 0.00 0.00 0.00 0.00 36.38 35.55 1ksn s VAL 118 CO 0.00 -0.34 0.61 0.00 0.00 0.00 0.00 175.10 175.37 1ksn s ALA 119 N 2.40 -1.61 0.51 5.51 0.00 -0.96 -1.08 121.76 126.53 1ksn s ALA 119 Ca 0.09 0.81 -0.05 0.00 0.00 0.00 0.00 51.96 52.81 1ksn s ALA 119 Cb -0.14 0.48 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 1ksn s ALA 119 CO -0.26 -0.58 0.82 -1.25 0.00 0.00 0.00 175.76 174.49 1ksn s PRO 120 N -2.59 3.37 0.13 0.00 0.04 -1.26 -2.59 135.00 132.10 1ksn s PRO 120 Ca -0.04 0.14 -0.04 0.00 0.04 0.00 0.00 61.00 61.10 1ksn s PRO 120 Cb -0.01 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 32.13 1ksn s PRO 120 CO -0.03 -0.34 0.34 0.00 0.04 0.00 0.00 177.00 177.01 1ksn s ALA 121 N -2.81 3.84 0.31 8.56 0.00 -0.54 -4.85 121.76 126.28 1ksn s ALA 121 Ca 0.49 -0.63 -0.27 0.00 0.00 0.00 0.00 51.96 51.56 1ksn s ALA 121 Cb -0.10 -2.06 -0.10 0.00 0.00 0.00 0.00 23.12 20.86 1ksn s ALA 121 CO 0.45 0.70 0.95 0.00 0.00 0.00 0.00 175.76 177.86 1ksn s LEU 123 N -1.92 4.16 0.82 0.00 1.43 -1.26 -0.48 118.68 121.43 1ksn s LEU 123 Ca 0.49 0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 53.91 1ksn s LEU 123 Cb -0.20 -2.38 0.15 0.00 0.03 0.00 0.00 46.19 43.79 1ksn s LEU 123 CO 0.25 -0.01 1.14 -2.16 0.23 0.00 0.00 176.35 175.80 1ksn s PRO 124 N 1.11 1.28 -0.01 1.29 0.04 -1.26 -4.97 135.00 132.48 1ksn s PRO 124 Ca 0.15 -0.71 -0.10 0.00 0.04 0.00 0.00 61.00 60.38 1ksn s PRO 124 Cb -0.14 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 1ksn s PRO 124 CO 0.06 -1.85 0.32 -1.21 0.04 0.00 0.00 177.00 174.36 1ksn s GLU 124 N -5.48 3.71 0.07 4.56 2.02 -1.26 -4.98 118.70 117.34 1ksn s GLU 124 Ca 0.69 0.15 -0.20 0.00 0.02 0.00 0.00 54.97 55.63 1ksn s GLU 124 Cb -0.05 -3.15 -0.08 0.00 0.10 0.00 0.00 34.13 30.96 1ksn s GLU 124 CO 0.48 0.68 1.32 -0.09 0.02 0.00 0.00 175.26 177.68 1ksn h ARG 125 N 4.45 -0.34 -0.05 1.61 1.12 -1.98 -0.29 114.38 118.90 1ksn h ARG 125 Ca -0.52 0.02 0.04 0.00 -1.11 0.00 0.00 59.98 58.41 1ksn h ARG 125 Cb 1.21 0.08 -0.05 0.00 -0.01 0.00 0.00 29.97 31.20 1ksn h ARG 125 CO 0.62 -0.23 -0.22 -0.44 -3.11 0.00 0.00 179.97 176.60 1ksn h ASP 126 N -0.35 -0.65 -0.50 -3.80 3.32 -1.96 -1.43 116.42 111.05 1ksn h ASP 126 Ca 0.02 0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.21 1ksn h ASP 126 Cb 0.41 0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 1ksn h ASP 126 CO -0.25 -0.28 0.25 -0.25 -1.72 0.00 0.00 179.24 176.99 1ksn h TRP 127 N -0.32 0.45 0.39 4.55 7.01 -1.98 -2.03 115.95 124.02 1ksn h TRP 127 Ca 0.08 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 1ksn h TRP 127 Cb 0.42 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.34 1ksn h TRP 127 CO -0.28 0.22 -0.34 0.00 -2.79 0.00 0.00 178.44 175.25 1ksn h ALA 128 N 1.27 -0.75 -0.70 2.65 0.00 -0.61 0.30 119.26 121.42 1ksn h ALA 128 Ca 0.22 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1ksn h ALA 128 Cb 0.14 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1ksn h ALA 128 CO -0.16 -0.95 0.27 0.93 0.00 0.00 0.00 179.25 179.33 1ksn h GLU 129 N -0.74 1.04 0.03 0.00 5.08 -1.21 0.52 114.58 119.32 1ksn h GLU 129 Ca -0.03 -0.19 -0.28 0.00 -1.00 0.00 0.00 59.36 57.86 1ksn h GLU 129 Cb 0.65 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1ksn h GLU 129 CO -0.03 0.86 -1.55 0.66 -1.00 0.00 0.00 179.01 177.94 1ksn h SER 130 N 1.02 0.12 0.00 1.42 4.64 -1.34 -3.36 113.55 116.05 1ksn h SER 130 Ca 0.23 -0.19 -0.24 0.00 -0.47 0.00 0.00 61.79 61.12 1ksn h SER 130 Cb 0.22 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.22 1ksn h SER 130 CO -0.02 1.17 -1.92 0.41 -0.87 0.00 0.00 176.83 175.60 1ksn n THR 131 N -3.23 0.93 -0.08 2.95 -1.04 0.10 -4.48 114.28 109.43 1ksn n THR 131 Ca -0.15 -0.42 -0.13 0.00 -2.04 0.00 0.00 64.05 61.31 1ksn n THR 131 Cb 1.03 -0.95 -0.10 0.00 -1.82 0.00 0.00 70.33 68.50 1ksn n THR 131 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1ksn h LEU 131 N 0.00 0.00 0.00 -4.42 5.85 -0.49 -3.37 115.31 112.88 1ksn h LEU 131 Ca -0.36 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 57.74 1ksn h LEU 131 Cb 1.64 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.67 1ksn h LEU 131 CO -0.03 1.04 0.00 0.23 -0.34 0.00 0.00 178.44 179.34 1ksn n MET 131 N -4.59 0.75 -0.15 1.25 2.81 0.15 -2.21 117.12 115.12 1ksn n MET 131 Ca -0.14 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 55.85 1ksn n MET 131 Cb 0.44 -1.47 0.17 0.00 -0.71 0.00 0.00 33.22 31.66 1ksn n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1ksn n THR 132 N -0.97 0.48 -1.48 2.03 -2.24 -1.26 -4.96 114.28 105.89 1ksn n THR 132 Ca 0.17 -0.74 -0.30 0.00 -2.27 0.00 0.00 64.05 60.91 1ksn n THR 132 Cb 0.08 0.97 0.11 0.00 -2.10 0.00 0.00 70.33 69.39 1ksn n THR 132 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1ksn s GLN 133 N -1.33 1.69 0.10 -0.78 2.00 -0.94 -4.97 119.66 115.43 1ksn s GLN 133 Ca 0.32 0.58 -0.17 0.00 -2.00 0.00 0.00 55.36 54.09 1ksn s GLN 133 Cb 0.19 -1.88 -0.06 0.00 0.80 0.00 0.00 33.01 32.06 1ksn s GLN 133 CO 0.26 -1.88 1.56 0.87 -0.50 0.00 0.00 175.29 175.60 1ksn h LYS 134 N -1.28 0.51 -4.88 1.67 1.57 -1.93 -3.42 116.57 108.82 1ksn h LYS 134 Ca -0.48 -0.15 -0.43 0.00 -1.87 0.00 0.00 60.65 57.72 1ksn h LYS 134 Cb 1.29 -0.05 -0.14 0.00 0.08 0.00 0.00 32.23 33.41 1ksn h LYS 134 CO 0.59 0.64 -0.54 0.95 -0.57 0.00 0.00 179.45 180.52 1ksn s THR 135 N -5.08 0.24 0.30 -0.16 -4.23 -1.26 -1.83 115.64 103.62 1ksn s THR 135 Ca -0.13 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.42 1ksn s THR 135 Cb 0.08 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.40 1ksn s THR 135 CO 0.76 0.00 0.21 -0.83 -0.54 0.00 0.00 174.62 174.22 1ksn s GLY 136 N -3.38 2.10 -0.05 3.99 0.00 -0.90 -4.71 107.32 104.37 1ksn s GLY 136 Ca 0.36 -1.88 0.05 0.00 0.00 0.00 0.00 44.72 43.25 1ksn s GLY 136 CO 0.19 -1.50 -0.19 -0.42 0.00 0.00 0.00 173.10 171.18 1ksn s ILE 137 N -3.62 1.58 -0.05 0.90 1.01 0.24 -1.50 121.20 119.76 1ksn s ILE 137 Ca 0.38 -0.80 0.06 0.00 0.00 0.00 0.00 60.65 60.29 1ksn s ILE 137 Cb 0.04 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 1ksn s ILE 137 CO 0.21 0.45 -0.23 0.54 0.00 0.00 0.00 174.94 175.92 1ksn s VAL 138 N 0.02 1.88 0.30 2.92 0.11 0.48 -1.16 120.40 124.94 1ksn s VAL 138 Ca -0.04 -0.97 0.03 0.00 -2.93 0.00 0.00 61.98 58.06 1ksn s VAL 138 Cb -0.12 -1.59 -0.04 0.00 -1.53 0.00 0.00 36.38 33.10 1ksn s VAL 138 CO 0.03 0.53 0.15 -0.94 -3.33 0.00 0.00 175.10 171.53 1ksn s SER 139 N -0.15 1.49 0.00 3.54 1.04 -1.20 0.16 113.70 118.57 1ksn s SER 139 Ca -0.02 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 54.88 1ksn s SER 139 Cb -0.13 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1ksn s SER 139 CO 0.03 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1ksn n GLY 140 N -0.56 2.17 1.58 7.32 0.00 -0.36 -4.41 105.19 110.92 1ksn n GLY 140 Ca 0.01 -1.57 0.09 0.00 0.00 0.00 0.00 46.02 44.55 1ksn n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ksn n PHE 141 N -1.65 1.52 -0.44 1.61 3.72 -1.26 -1.90 117.46 119.06 1ksn n PHE 141 Ca 0.00 -0.64 -0.30 0.00 -0.05 0.00 0.00 57.45 56.47 1ksn n PHE 141 Cb 0.00 -0.28 0.28 0.00 -0.94 0.00 0.00 39.48 38.54 1ksn n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1ksn s GLY 142 N -0.95 1.45 0.77 1.37 0.00 -1.25 -0.70 107.32 108.01 1ksn s GLY 142 Ca 0.51 -0.64 -0.15 0.00 0.00 0.00 0.00 44.72 44.44 1ksn s GLY 142 CO 0.23 0.29 0.57 0.54 0.00 0.00 0.00 173.10 174.74 1ksn n ARG 143 N -5.43 0.21 -0.00 2.90 1.74 0.42 -2.65 116.66 113.84 1ksn n ARG 143 Ca 0.10 0.12 0.11 0.00 -0.77 0.00 0.00 57.85 57.40 1ksn n ARG 143 Cb 0.58 -1.90 -0.14 0.00 -1.02 0.00 0.00 32.46 29.98 1ksn n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1ksn n THR 144 N -2.66 0.05 -3.87 0.55 -2.24 -1.24 0.48 114.28 105.34 1ksn n THR 144 Ca 0.10 -0.42 -0.12 0.00 -2.27 0.00 0.00 64.05 61.34 1ksn n THR 144 Cb 0.51 0.12 -0.13 0.00 -2.10 0.00 0.00 70.33 68.73 1ksn n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1ksn s HIS 145 N -3.43 -0.02 0.56 4.78 3.76 -1.26 -4.16 115.29 115.52 1ksn s HIS 145 Ca -0.05 0.06 0.41 0.00 -0.15 0.00 0.00 55.06 55.33 1ksn s HIS 145 Cb 0.14 -0.01 1.58 0.00 1.11 0.00 0.00 32.58 35.40 1ksn s HIS 145 CO 0.89 -0.06 1.68 1.49 -0.85 0.00 0.00 174.74 177.89 1ksn h GLU 147 N 5.84 0.00 -0.17 1.40 4.81 -1.91 0.41 114.58 124.95 1ksn h GLU 147 Ca -0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1ksn h GLU 147 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1ksn h GLU 147 CO 0.47 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 180.38 1ksn n LYS 148 N -3.98 2.75 -3.57 1.92 5.02 -1.26 -4.91 118.16 114.13 1ksn n LYS 148 Ca 0.32 -2.01 -0.19 0.00 -2.02 0.00 0.00 58.31 54.41 1ksn n LYS 148 Cb 1.55 -1.27 -0.01 0.00 -0.02 0.00 0.00 35.03 35.29 1ksn n LYS 148 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1ksn s GLY 149 N -1.32 1.53 1.00 0.72 0.00 0.14 -5.10 107.32 104.29 1ksn s GLY 149 Ca 0.18 -1.42 -0.12 0.00 0.00 0.00 0.00 44.72 43.36 1ksn s GLY 149 CO 0.08 -1.36 1.08 -1.60 0.00 0.00 0.00 173.10 171.30 1ksn s ARG 150 N -4.13 0.38 1.02 2.90 3.52 -1.26 -4.61 118.95 116.77 1ksn s ARG 150 Ca 0.43 1.02 -0.12 0.00 -0.13 0.00 0.00 55.73 56.93 1ksn s ARG 150 Cb -0.09 -1.69 0.20 0.00 -1.56 0.00 0.00 34.95 31.81 1ksn s ARG 150 CO 0.31 -2.90 1.08 -1.14 -0.81 0.00 0.00 175.30 171.83 1ksn s GLN 151 N -4.68 0.22 0.05 5.12 0.74 -1.26 -3.73 119.66 116.11 1ksn s GLN 151 Ca 0.66 0.77 -0.08 0.00 0.05 0.00 0.00 55.36 56.76 1ksn s GLN 151 Cb -0.22 -1.69 -0.05 0.00 1.10 0.00 0.00 33.01 32.15 1ksn s GLN 151 CO 0.60 -2.94 0.34 0.45 -0.55 0.00 0.00 175.29 173.20 1ksn s SER 152 N -3.09 6.57 0.05 6.67 0.15 0.12 -4.84 113.70 119.33 1ksn s SER 152 Ca 0.66 0.68 0.23 0.00 0.70 0.00 0.00 55.95 58.22 1ksn s SER 152 Cb -0.21 -2.14 0.11 0.00 -1.71 0.00 0.00 66.02 62.07 1ksn s SER 152 CO 0.60 0.20 1.09 0.35 1.20 0.00 0.00 173.24 176.67 1ksn n THR 153 N 0.94 0.15 -4.65 6.45 -2.24 -1.26 -4.77 114.28 108.90 1ksn n THR 153 Ca -0.09 -0.20 -0.34 0.00 -2.27 0.00 0.00 64.05 61.16 1ksn n THR 153 Cb 0.52 0.24 -0.12 0.00 -2.10 0.00 0.00 70.33 68.88 1ksn n THR 153 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ksn s ARG 154 N -3.16 2.95 -0.03 -0.78 1.81 -1.26 -0.34 118.95 118.15 1ksn s ARG 154 Ca 0.05 -0.59 -0.30 0.00 -1.72 0.00 0.00 55.73 53.17 1ksn s ARG 154 Cb 0.15 -2.62 -0.05 0.00 -0.45 0.00 0.00 34.95 31.99 1ksn s ARG 154 CO 0.79 0.52 1.37 -1.17 -0.68 0.00 0.00 175.30 176.13 1ksn s LEU 155 N -0.44 4.30 0.34 2.53 2.96 -0.45 -4.64 118.68 123.28 1ksn s LEU 155 Ca 0.06 2.02 0.09 0.00 -0.22 0.00 0.00 54.13 56.08 1ksn s LEU 155 Cb -0.12 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 1ksn s LEU 155 CO 0.02 -0.71 0.05 -0.54 -1.32 0.00 0.00 176.35 173.85 1ksn s LYS 156 N 2.58 2.16 0.04 1.98 1.02 -0.80 -1.01 119.74 125.72 1ksn s LYS 156 Ca 0.62 -1.70 -0.00 0.00 0.02 0.00 0.00 55.97 54.91 1ksn s LYS 156 Cb -0.29 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 34.99 1ksn s LYS 156 CO 0.25 0.12 -0.04 0.00 -0.92 0.00 0.00 175.35 174.76 1ksn s MET 157 N -3.75 0.49 -0.08 1.68 0.23 0.85 -1.23 119.30 117.49 1ksn s MET 157 Ca 0.36 -0.93 -0.05 0.00 -1.03 0.00 0.00 55.69 54.04 1ksn s MET 157 Cb -0.01 0.09 0.04 0.00 -1.53 0.00 0.00 34.83 33.42 1ksn s MET 157 CO 0.20 -0.06 0.20 -1.17 -2.03 0.00 0.00 175.02 172.16 1ksn s LEU 158 N -2.18 0.73 -0.41 0.18 0.20 0.41 -1.13 118.68 116.48 1ksn s LEU 158 Ca -0.04 0.41 -0.28 0.00 0.69 0.00 0.00 54.13 54.92 1ksn s LEU 158 Cb -0.02 0.59 0.02 0.00 -0.43 0.00 0.00 46.19 46.36 1ksn s LEU 158 CO -0.05 -0.14 1.05 -0.70 -0.29 0.00 0.00 176.35 176.22 1ksn s GLU 159 N 0.94 3.83 -0.24 1.98 2.12 -1.26 -0.39 118.70 125.68 1ksn s GLU 159 Ca -0.07 0.67 -0.01 0.00 0.36 0.00 0.00 54.97 55.92 1ksn s GLU 159 Cb -0.08 -3.84 0.03 0.00 0.26 0.00 0.00 34.13 30.49 1ksn s GLU 159 CO -0.05 -1.13 -0.09 0.14 -0.54 0.00 0.00 175.26 173.59 1ksn s VAL 160 N 3.92 2.71 0.46 3.70 -7.23 -0.56 -4.95 120.40 118.44 1ksn s VAL 160 Ca 0.44 -1.04 -0.25 0.00 -1.81 0.00 0.00 61.98 59.32 1ksn s VAL 160 Cb -0.10 -2.35 -0.08 0.00 0.56 0.00 0.00 36.38 34.40 1ksn s VAL 160 CO 0.23 0.24 1.44 -2.65 -0.31 0.00 0.00 175.10 174.06 1ksn n PRO 161 N 4.65 2.27 -2.34 4.82 -0.02 -1.26 -2.11 135.00 141.00 1ksn n PRO 161 Ca -0.17 0.81 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 1ksn n PRO 161 Cb 0.47 -2.65 -0.03 0.00 -0.02 0.00 0.00 33.50 31.27 1ksn n PRO 161 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1ksn s TYR 162 N -1.19 3.38 -0.17 6.00 2.02 -0.76 -1.22 117.35 125.42 1ksn s TYR 162 Ca 0.61 1.32 -0.07 0.00 -0.37 0.00 0.00 57.07 58.56 1ksn s TYR 162 Cb -0.44 -3.48 -0.04 0.00 -0.40 0.00 0.00 41.96 37.59 1ksn s TYR 162 CO 0.57 -1.45 0.06 0.08 -1.57 0.00 0.00 175.55 173.25 1ksn s VAL 163 N 0.31 4.80 0.03 0.71 1.01 0.21 -4.91 120.40 122.56 1ksn s VAL 163 Ca 0.56 -0.03 -0.36 0.00 0.00 0.00 0.00 61.98 62.14 1ksn s VAL 163 Cb -0.33 -3.14 -0.16 0.00 0.00 0.00 0.00 36.38 32.75 1ksn s VAL 163 CO 0.35 0.49 1.50 -0.67 0.00 0.00 0.00 175.10 176.77 1ksn n ASP 164 N 3.23 2.21 -0.29 3.32 2.03 -1.26 -4.42 116.55 121.37 1ksn n ASP 164 Ca -0.17 1.09 0.11 0.00 0.52 0.00 0.00 54.79 56.34 1ksn n ASP 164 Cb 0.53 -1.25 0.27 0.00 -0.72 0.00 0.00 41.12 39.95 1ksn n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1ksn h ARG 165 N 5.62 0.35 -0.19 -0.67 2.43 -1.96 0.20 114.38 120.16 1ksn h ARG 165 Ca -0.47 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 58.62 1ksn h ARG 165 Cb 1.31 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1ksn h ARG 165 CO 0.84 0.23 -0.11 -0.97 -1.51 0.00 0.00 179.97 178.46 1ksn h ASN 166 N 0.36 0.43 0.30 -3.80 -0.73 -1.99 0.19 115.58 110.34 1ksn h ASN 166 Ca 0.51 -0.43 -0.03 0.00 1.87 0.00 0.00 56.30 58.23 1ksn h ASN 166 Cb 0.94 -0.12 -0.00 0.00 0.27 0.00 0.00 38.32 39.41 1ksn h ASN 166 CO -0.53 0.76 -0.15 0.28 -0.37 0.00 0.00 177.43 177.42 1ksn h SER 167 N 0.10 0.00 0.02 1.15 0.02 -1.74 -1.24 113.55 111.85 1ksn h SER 167 Ca 0.04 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1ksn h SER 167 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1ksn h SER 167 CO 0.03 0.15 -0.11 0.00 -1.14 0.00 0.00 176.83 175.76 1ksn h LYS 169 N -0.90 0.53 -0.13 0.00 1.57 -0.45 -1.05 116.57 116.15 1ksn h LYS 169 Ca -0.02 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1ksn h LYS 169 Cb 1.07 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 1ksn h LYS 169 CO 0.02 0.35 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.03 1ksn h LEU 170 N 0.55 0.35 -1.92 2.94 3.38 -1.27 -3.25 115.31 116.10 1ksn h LEU 170 Ca 0.42 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1ksn h LEU 170 Cb 0.81 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1ksn h LEU 170 CO -0.17 0.79 -0.09 0.77 0.09 0.00 0.00 178.44 179.83 1ksn h SER 171 N -0.07 0.00 -3.54 -0.43 4.64 -0.15 -3.45 113.55 110.55 1ksn h SER 171 Ca 0.02 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.81 1ksn h SER 171 Cb 0.70 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.76 1ksn h SER 171 CO 0.04 0.09 0.10 -0.55 -0.87 0.00 0.00 176.83 175.64 1ksn s SER 172 N -5.96 7.07 0.36 4.97 0.15 -0.54 -4.69 113.70 115.06 1ksn s SER 172 Ca -0.02 1.41 0.24 0.00 0.70 0.00 0.00 55.95 58.28 1ksn s SER 172 Cb 0.12 -2.42 0.46 0.00 -1.71 0.00 0.00 66.02 62.47 1ksn s SER 172 CO 0.56 0.06 1.62 0.28 1.20 0.00 0.00 173.24 176.96 1ksn h SER 173 N 3.54 0.00 -1.91 5.45 0.02 -1.88 -3.46 113.55 115.30 1ksn h SER 173 Ca -0.48 -0.01 -0.60 0.00 -0.84 0.00 0.00 61.79 59.87 1ksn h SER 173 Cb 1.19 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.60 1ksn h SER 173 CO 0.65 0.00 -0.58 -0.36 -1.14 0.00 0.00 176.83 175.41 1ksn s PHE 174 N -3.19 2.19 0.18 3.45 0.08 -1.26 -5.11 117.98 114.32 1ksn s PHE 174 Ca 0.08 -0.85 -0.31 0.00 0.12 0.00 0.00 56.93 55.97 1ksn s PHE 174 Cb 0.07 -1.57 -0.09 0.00 -0.57 0.00 0.00 43.02 40.86 1ksn s PHE 174 CO 0.66 0.24 1.44 0.42 -0.10 0.00 0.00 175.22 177.88 1ksn s ILE 175 N -2.93 2.93 -0.72 0.64 -1.09 -1.26 -4.97 121.20 113.79 1ksn s ILE 175 Ca 0.29 0.71 -0.14 0.00 -2.23 0.00 0.00 60.65 59.27 1ksn s ILE 175 Cb 0.07 -3.45 0.19 0.00 -1.58 0.00 0.00 42.46 37.69 1ksn s ILE 175 CO 0.14 0.08 0.66 -0.63 -1.23 0.00 0.00 174.94 173.96 1ksn s ILE 176 N 0.69 5.38 1.10 2.92 -1.09 -1.26 -5.05 121.20 123.90 1ksn s ILE 176 Ca 0.64 -2.17 -0.12 0.00 -2.23 0.00 0.00 60.65 56.76 1ksn s ILE 176 Cb -0.40 -4.37 0.25 0.00 -1.58 0.00 0.00 42.46 36.36 1ksn s ILE 176 CO 0.35 -0.97 1.05 0.42 -1.23 0.00 0.00 174.94 174.56 1ksn s THR 177 N 0.63 2.07 -1.33 2.92 -4.23 -1.26 -4.87 115.64 109.57 1ksn s THR 177 Ca 0.13 0.02 0.15 0.00 -1.18 0.00 0.00 61.69 60.81 1ksn s THR 177 Cb -0.17 -2.17 0.23 0.00 1.34 0.00 0.00 72.50 71.73 1ksn s THR 177 CO -0.05 -0.03 1.43 0.00 -0.54 0.00 0.00 174.62 175.44 1ksn n GLN 178 N -4.70 0.16 -0.83 3.99 0.00 -1.26 -2.01 117.38 112.74 1ksn n GLN 178 Ca 0.04 0.17 0.07 0.00 0.00 0.00 0.00 57.00 57.28 1ksn n GLN 178 Cb 0.55 -1.50 0.39 0.00 0.00 0.00 0.00 30.24 29.67 1ksn n GLN 178 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1ksn n ASN 179 N -1.34 5.44 -4.11 2.61 3.02 -1.26 -4.87 115.26 114.76 1ksn n ASN 179 Ca 0.06 -2.81 -0.10 0.00 -0.03 0.00 0.00 54.58 51.70 1ksn n ASN 179 Cb 0.13 -0.66 -0.10 0.00 -0.61 0.00 0.00 39.78 38.54 1ksn n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ksn s MET 180 N -2.55 0.67 0.16 3.52 -1.94 -0.85 -1.18 119.30 117.12 1ksn s MET 180 Ca 0.53 -1.12 -0.11 0.00 -1.71 0.00 0.00 55.69 53.28 1ksn s MET 180 Cb 0.39 -0.09 0.00 0.00 2.01 0.00 0.00 34.83 37.14 1ksn s MET 180 CO 0.17 -0.03 0.32 -0.59 -0.01 0.00 0.00 175.02 174.88 1ksn s PHE 181 N -3.04 0.24 0.16 -0.03 -0.12 -0.47 -4.73 117.98 109.99 1ksn s PHE 181 Ca 0.04 -0.61 0.11 0.00 -0.05 0.00 0.00 56.93 56.42 1ksn s PHE 181 Cb 0.01 0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.40 1ksn s PHE 181 CO -0.05 -0.73 -0.23 0.00 -0.05 0.00 0.00 175.22 174.17 1ksn s ALA 183 N -1.35 -0.94 0.00 0.00 0.00 -1.04 -0.62 121.76 117.81 1ksn s ALA 183 Ca 0.18 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1ksn s ALA 183 Cb -0.09 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.32 1ksn s ALA 183 CO 0.09 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1ksn n GLY 184 N 0.63 0.74 3.36 0.00 0.00 -0.35 -1.85 105.19 107.71 1ksn n GLY 184 Ca -0.19 -2.07 -0.25 0.00 0.00 0.00 0.00 46.02 43.51 1ksn n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ksn s TYR 185 N -1.47 2.02 -0.09 1.61 2.02 -1.26 -4.24 117.35 115.94 1ksn s TYR 185 Ca 0.00 -0.41 -0.23 0.00 -0.37 0.00 0.00 57.07 56.06 1ksn s TYR 185 Cb 0.00 -1.04 -0.28 0.00 -0.40 0.00 0.00 41.96 40.24 1ksn s TYR 185 CO 0.00 0.36 0.76 0.22 -1.57 0.00 0.00 175.55 175.31 1ksn h ASP 185 N 3.49 0.30 0.00 2.29 3.58 -1.89 -3.42 116.42 120.76 1ksn h ASP 185 Ca -0.45 -0.92 -0.09 0.00 0.42 0.00 0.00 57.03 55.99 1ksn h ASP 185 Cb 1.20 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 42.13 1ksn h ASP 185 CO 0.46 1.33 -1.34 0.35 -2.88 0.00 0.00 179.24 177.17 1ksn n THR 185 N -4.24 0.34 -1.61 2.25 -2.24 -1.26 -0.84 114.28 106.67 1ksn n THR 185 Ca -0.16 -0.13 -0.50 0.00 -2.27 0.00 0.00 64.05 61.00 1ksn n THR 185 Cb 0.74 -0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 68.19 1ksn n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ksn n LYS 186 N -2.68 1.44 -1.28 -0.78 4.81 -1.26 -4.82 118.16 113.59 1ksn n LYS 186 Ca -0.10 0.52 -0.37 0.00 -0.87 0.00 0.00 58.31 57.48 1ksn n LYS 186 Cb 0.61 -2.17 -0.02 0.00 0.02 0.00 0.00 35.03 33.47 1ksn n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1ksn n GLN 187 N 2.55 2.55 -3.72 1.64 1.13 -1.26 -4.69 117.38 115.57 1ksn n GLN 187 Ca 0.17 -2.08 -0.14 0.00 -1.94 0.00 0.00 57.00 53.02 1ksn n GLN 187 Cb 0.23 -2.91 -0.14 0.00 0.11 0.00 0.00 30.24 27.53 1ksn n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1ksn s GLU 188 N 3.46 0.12 -0.20 -1.09 2.02 -1.26 -3.99 118.70 117.75 1ksn s GLU 188 Ca 0.53 0.48 -0.36 0.00 0.02 0.00 0.00 54.97 55.65 1ksn s GLU 188 Cb 0.14 -0.17 0.14 0.00 0.10 0.00 0.00 34.13 34.35 1ksn s GLU 188 CO -0.02 -0.20 1.29 0.34 0.02 0.00 0.00 175.26 176.69 1ksn s ASP 189 N 1.49 -0.08 1.15 -0.19 2.15 -0.95 -4.18 116.67 116.06 1ksn s ASP 189 Ca -0.06 -0.02 -0.19 0.00 0.43 0.00 0.00 52.55 52.71 1ksn s ASP 189 Cb -0.11 0.10 0.28 0.00 -0.30 0.00 0.00 42.92 42.88 1ksn s ASP 189 CO -0.07 -0.16 1.21 0.00 -0.17 0.00 0.00 175.17 175.99 1ksn s ALA 190 N -2.27 1.19 0.20 3.66 0.00 -1.26 0.14 121.76 123.41 1ksn s ALA 190 Ca 0.11 -1.19 -0.22 0.00 0.00 0.00 0.00 51.96 50.65 1ksn s ALA 190 Cb 0.00 -2.79 0.07 0.00 0.00 0.00 0.00 23.12 20.41 1ksn s ALA 190 CO -0.04 -3.30 0.99 0.00 0.00 0.00 0.00 175.76 173.41 1ksn n GLN 192 N -0.62 1.07 0.00 0.00 7.27 -1.26 -1.01 117.38 122.83 1ksn n GLN 192 Ca -0.04 0.38 0.00 0.00 0.07 0.00 0.00 57.00 57.41 1ksn n GLN 192 Cb 0.60 -1.85 0.00 0.00 2.41 0.00 0.00 30.24 31.40 1ksn n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ksn n GLY 193 N 1.96 3.48 0.11 1.69 0.00 -1.26 -0.43 105.19 110.74 1ksn n GLY 193 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 1ksn n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ksn n ASP 194 N 0.00 0.84 -4.56 1.61 8.00 -0.18 -3.87 116.55 118.40 1ksn n ASP 194 Ca 0.00 0.33 -0.42 0.00 0.71 0.00 0.00 54.79 55.41 1ksn n ASP 194 Cb 0.00 0.43 0.01 0.00 -0.02 0.00 0.00 41.12 41.53 1ksn n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ksn n SER 195 N -2.70 0.58 0.00 -2.24 7.64 -1.26 -0.52 113.62 115.12 1ksn n SER 195 Ca -0.01 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.89 1ksn n SER 195 Cb 0.59 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 1ksn n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ksn n GLY 196 N 1.38 2.89 3.35 0.23 0.00 0.19 -0.22 105.19 113.02 1ksn n GLY 196 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1ksn n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ksn n GLY 197 N -0.73 -2.45 3.82 -0.02 0.00 0.32 -3.19 105.19 102.94 1ksn n GLY 197 Ca 0.00 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.58 1ksn n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ksn s PRO 198 N -4.04 4.24 -0.23 1.61 0.04 -1.26 -2.27 135.00 133.10 1ksn s PRO 198 Ca 0.63 0.88 -0.00 0.00 0.04 0.00 0.00 61.00 62.54 1ksn s PRO 198 Cb -0.19 -2.79 0.06 0.00 0.04 0.00 0.00 34.50 31.63 1ksn s PRO 198 CO 0.64 0.34 -0.02 -1.58 0.04 0.00 0.00 177.00 176.42 1ksn s HIS 199 N -1.62 1.93 0.35 0.56 2.46 -1.02 -3.27 115.29 114.68 1ksn s HIS 199 Ca 0.46 -1.47 0.09 0.00 0.47 0.00 0.00 55.06 54.61 1ksn s HIS 199 Cb -0.16 -1.42 -0.06 0.00 -0.13 0.00 0.00 32.58 30.82 1ksn s HIS 199 CO 0.20 -0.73 -0.05 0.14 -2.47 0.00 0.00 174.74 171.84 1ksn s VAL 200 N 1.55 2.35 -0.06 0.89 -7.23 -0.31 -0.15 120.40 117.44 1ksn s VAL 200 Ca -0.03 -2.11 0.01 0.00 -1.81 0.00 0.00 61.98 58.04 1ksn s VAL 200 Cb -0.18 -2.73 0.02 0.00 0.56 0.00 0.00 36.38 34.05 1ksn s VAL 200 CO -0.08 -0.18 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.56 1ksn s THR 201 N -2.59 0.85 -0.05 5.32 2.01 0.16 0.79 115.64 122.14 1ksn s THR 201 Ca 0.34 -0.29 -0.23 0.00 0.31 0.00 0.00 61.69 61.82 1ksn s THR 201 Cb 0.02 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1ksn s THR 201 CO 0.18 0.30 0.67 -0.60 -0.69 0.00 0.00 174.62 174.48 1ksn s ARG 202 N 0.98 4.42 -0.22 4.92 3.52 -1.26 -0.35 118.95 130.96 1ksn s ARG 202 Ca -0.09 0.84 -0.03 0.00 -0.13 0.00 0.00 55.73 56.32 1ksn s ARG 202 Cb -0.15 -3.42 0.07 0.00 -1.56 0.00 0.00 34.95 29.89 1ksn s ARG 202 CO 0.00 0.14 0.06 0.12 -0.81 0.00 0.00 175.30 174.81 1ksn s PHE 203 N 0.55 0.94 -1.25 5.12 5.36 0.92 -4.88 117.98 124.73 1ksn s PHE 203 Ca 0.36 -0.90 -0.00 0.00 -0.96 0.00 0.00 56.93 55.42 1ksn s PHE 203 Cb -0.18 -1.06 0.00 0.00 -0.34 0.00 0.00 43.02 41.44 1ksn s PHE 203 CO 0.18 -0.65 0.85 1.63 -1.46 0.00 0.00 175.22 175.76 1ksn n LYS 204 N 5.07 -5.77 -0.91 10.12 5.02 -1.26 -2.08 118.16 128.35 1ksn n LYS 204 Ca -0.07 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1ksn n LYS 204 Cb 0.46 -5.52 0.00 0.00 -0.02 0.00 0.00 35.03 29.95 1ksn n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ksn n ASP 205 N -3.09 -0.46 -4.27 4.39 8.00 -1.26 -4.99 116.55 114.86 1ksn n ASP 205 Ca -0.29 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 54.88 1ksn n ASP 205 Cb 0.67 -0.60 -0.16 0.00 -0.02 0.00 0.00 41.12 41.01 1ksn n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ksn s THR 206 N -3.17 2.48 -0.21 -3.53 2.01 -0.88 -5.12 115.64 107.23 1ksn s THR 206 Ca 0.00 -0.86 -0.13 0.00 0.31 0.00 0.00 61.69 61.01 1ksn s THR 206 Cb 0.00 -2.00 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 1ksn s THR 206 CO 0.00 0.54 0.25 -0.31 -0.69 0.00 0.00 174.62 174.41 1ksn s TYR 207 N 0.44 3.38 -0.06 4.92 1.51 -1.26 -0.06 117.35 126.23 1ksn s TYR 207 Ca -0.14 0.43 0.02 0.00 -1.01 0.00 0.00 57.07 56.37 1ksn s TYR 207 Cb -0.17 -2.34 -0.03 0.00 -0.11 0.00 0.00 41.96 39.31 1ksn s TYR 207 CO 0.06 0.12 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.47 1ksn s PHE 208 N 0.89 2.88 -0.03 2.71 0.08 0.53 -2.66 117.98 122.38 1ksn s PHE 208 Ca 0.13 -0.02 -0.30 0.00 0.12 0.00 0.00 56.93 56.86 1ksn s PHE 208 Cb -0.13 -1.68 -0.05 0.00 -0.57 0.00 0.00 43.02 40.59 1ksn s PHE 208 CO 0.04 0.31 1.38 0.54 -0.10 0.00 0.00 175.22 177.40 1ksn s VAL 209 N -0.82 3.83 0.00 -0.44 0.11 0.36 0.36 120.40 123.81 1ksn s VAL 209 Ca 0.13 1.17 0.00 0.00 -2.93 0.00 0.00 61.98 60.35 1ksn s VAL 209 Cb -0.11 -3.75 0.00 0.00 -1.53 0.00 0.00 36.38 30.99 1ksn s VAL 209 CO 0.02 -0.02 0.14 0.35 -3.33 0.00 0.00 175.10 172.26 1ksn n THR 210 N 4.82 0.00 -3.84 5.04 -2.24 0.78 -4.46 114.28 114.38 1ksn n THR 210 Ca 0.13 -0.35 -0.03 0.00 -2.27 0.00 0.00 64.05 61.53 1ksn n THR 210 Cb 0.44 1.12 0.01 0.00 -2.10 0.00 0.00 70.33 69.80 1ksn n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ksn s GLY 211 N -0.42 0.03 -0.06 3.38 0.00 -0.44 -3.73 107.32 106.07 1ksn s GLY 211 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 44.72 44.50 1ksn s GLY 211 CO 0.00 1.70 -0.00 -0.42 0.00 0.00 0.00 173.10 174.38 1ksn s ILE 212 N -2.44 0.38 -0.19 0.90 1.01 -1.19 -2.44 121.20 117.22 1ksn s ILE 212 Ca 0.19 0.08 -0.36 0.00 0.00 0.00 0.00 60.65 60.57 1ksn s ILE 212 Cb -0.02 -0.51 -0.12 0.00 0.01 0.00 0.00 42.46 41.82 1ksn s ILE 212 CO 0.05 0.24 1.93 0.52 0.00 0.00 0.00 174.94 177.67 1ksn n VAL 213 N 4.88 0.44 0.00 2.92 0.31 -0.96 -1.69 118.33 124.23 1ksn n VAL 213 Ca -0.12 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1ksn n VAL 213 Cb 0.50 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 1ksn n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ksn n SER 214 N 7.21 0.00 -1.71 4.52 2.88 -0.60 -0.63 113.62 125.28 1ksn n SER 214 Ca 0.27 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.78 1ksn n SER 214 Cb 0.25 -0.25 0.01 0.00 -0.75 0.00 0.00 64.21 63.46 1ksn n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1ksn n TRP 215 N -2.28 -1.44 0.00 0.66 4.27 -0.93 -4.85 117.44 112.87 1ksn n TRP 215 Ca 0.00 -0.76 0.00 0.00 -3.89 0.00 0.00 57.50 52.85 1ksn n TRP 215 Cb 0.00 0.35 0.00 0.00 -1.36 0.00 0.00 31.31 30.30 1ksn n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1ksn n GLY 216 N -0.21 1.27 3.52 -1.67 0.00 -1.26 0.25 105.19 107.08 1ksn n GLY 216 Ca -0.03 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1ksn n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ksn s GLU 217 N -2.00 3.26 4.43 1.61 2.02 -1.26 -4.82 118.70 121.94 1ksn s GLU 217 Ca 0.00 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.33 1ksn s GLU 217 Cb 0.00 -4.43 0.00 0.00 0.10 0.00 0.00 34.13 29.80 1ksn s GLU 217 CO 0.00 -2.03 0.00 0.41 0.02 0.00 0.00 175.26 173.66 1ksn n GLY 219 N 5.60 1.03 3.32 -1.39 0.00 -1.26 -4.63 105.19 107.86 1ksn n GLY 219 Ca 0.07 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 1ksn n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ksn n ALA 221 N 3.50 -0.32 -1.76 0.00 0.00 -1.26 -4.68 120.51 115.98 1ksn n ALA 221 Ca -0.18 0.22 -0.37 0.00 0.00 0.00 0.00 53.44 53.11 1ksn n ALA 221 Cb 0.56 -1.58 0.01 0.00 0.00 0.00 0.00 19.45 18.44 1ksn n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ksn s ARG 222 N -3.59 3.54 0.06 0.00 0.52 -1.26 -4.74 118.95 113.48 1ksn s ARG 222 Ca 0.00 1.94 -0.31 0.00 -0.52 0.00 0.00 55.73 56.84 1ksn s ARG 222 Cb 0.00 -2.36 -0.06 0.00 0.52 0.00 0.00 34.95 33.05 1ksn s ARG 222 CO 0.00 -0.78 1.25 0.15 0.02 0.00 0.00 175.30 175.95 1ksn s LYS 223 N -2.77 4.39 0.00 3.54 1.02 -1.25 -2.64 119.74 122.04 1ksn s LYS 223 Ca 0.66 1.85 0.00 0.00 0.02 0.00 0.00 55.97 58.50 1ksn s LYS 223 Cb -0.33 -3.35 0.00 0.00 -0.52 0.00 0.00 37.83 33.64 1ksn s LYS 223 CO 0.39 -0.32 0.00 0.41 -0.92 0.00 0.00 175.35 174.91 1ksn n GLY 223 N 3.31 1.32 3.49 -3.33 0.00 -0.02 -5.01 105.19 104.94 1ksn n GLY 223 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1ksn n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ksn s LYS 224 N -0.43 1.75 0.07 1.61 -0.14 -1.08 -4.70 119.74 116.81 1ksn s LYS 224 Ca 0.00 -1.66 0.00 0.00 -1.36 0.00 0.00 55.97 52.95 1ksn s LYS 224 Cb 0.00 -1.85 -0.00 0.00 -1.68 0.00 0.00 37.83 34.30 1ksn s LYS 224 CO 0.00 0.35 0.01 0.66 -0.76 0.00 0.00 175.35 175.61 1ksn n TYR 225 N -0.48 0.10 -4.38 3.18 4.01 -1.26 -4.54 117.16 113.79 1ksn n TYR 225 Ca -0.07 -0.37 -0.35 0.00 -0.16 0.00 0.00 57.90 56.96 1ksn n TYR 225 Cb 0.59 -0.03 -0.10 0.00 -0.31 0.00 0.00 39.34 39.50 1ksn n TYR 225 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1ksn s GLY 226 N -1.38 1.84 -0.13 2.72 0.00 -0.77 -4.36 107.32 105.24 1ksn s GLY 226 Ca 0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 44.72 43.90 1ksn s GLY 226 CO 0.01 -0.54 -0.03 -0.42 0.00 0.00 0.00 173.10 172.12 1ksn s ILE 227 N -0.79 4.01 0.10 0.90 -1.09 0.14 -2.48 121.20 121.99 1ksn s ILE 227 Ca 0.12 -0.33 0.08 0.00 -2.23 0.00 0.00 60.65 58.29 1ksn s ILE 227 Cb -0.11 -2.72 -0.04 0.00 -1.58 0.00 0.00 42.46 38.01 1ksn s ILE 227 CO 0.02 0.54 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.75 1ksn s TYR 228 N -0.14 1.77 0.18 3.97 1.51 -0.59 -1.56 117.35 122.48 1ksn s TYR 228 Ca 0.03 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 1ksn s TYR 228 Cb -0.13 -0.96 -0.08 0.00 -0.11 0.00 0.00 41.96 40.68 1ksn s TYR 228 CO 0.02 0.21 1.24 0.99 -1.11 0.00 0.00 175.55 176.90 1ksn s THR 229 N -1.22 3.49 -0.96 -0.71 2.01 -0.68 -1.37 115.64 116.20 1ksn s THR 229 Ca 0.07 1.21 -0.24 0.00 0.31 0.00 0.00 61.69 63.04 1ksn s THR 229 Cb -0.10 -3.78 0.04 0.00 0.01 0.00 0.00 72.50 68.68 1ksn s THR 229 CO 0.04 0.18 1.44 -0.75 -0.69 0.00 0.00 174.62 174.84 1ksn s LYS 230 N -0.03 3.46 0.47 4.92 2.20 -0.33 -3.17 119.74 127.26 1ksn s LYS 230 Ca 0.55 -0.90 0.15 0.00 -0.36 0.00 0.00 55.97 55.41 1ksn s LYS 230 Cb -0.34 -5.11 1.12 0.00 -1.51 0.00 0.00 37.83 31.99 1ksn s LYS 230 CO 0.36 -2.25 2.03 0.28 -0.36 0.00 0.00 175.35 175.41 1ksn h VAL 231 N 6.67 0.92 0.00 4.02 2.07 -1.89 -0.86 116.25 127.19 1ksn h VAL 231 Ca 0.10 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ksn h VAL 231 Cb 1.02 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1ksn h VAL 231 CO 1.39 0.05 -0.02 0.71 0.02 0.00 0.00 177.57 179.72 1ksn h THR 232 N 0.27 0.11 0.00 2.57 1.35 -1.88 -0.79 112.91 114.55 1ksn h THR 232 Ca 0.19 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 1ksn h THR 232 Cb 0.42 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1ksn h THR 232 CO -0.04 0.01 -0.15 0.00 -0.25 0.00 0.00 175.52 175.09 1ksn n ALA 233 N -2.13 2.56 -1.27 6.62 0.00 -0.33 -3.82 120.51 122.14 1ksn n ALA 233 Ca -0.02 -0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.38 1ksn n ALA 233 Cb 0.15 -1.38 0.15 0.00 0.00 0.00 0.00 19.45 18.37 1ksn n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ksn n PHE 234 N -1.85 0.00 0.11 0.00 3.72 -0.32 -4.79 117.46 114.33 1ksn n PHE 234 Ca 0.06 -1.09 -0.00 0.00 -0.05 0.00 0.00 57.45 56.37 1ksn n PHE 234 Cb 0.38 -0.17 0.28 0.00 -0.94 0.00 0.00 39.48 39.03 1ksn n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1ksn h LEU 235 N 0.28 0.23 -0.16 4.37 3.38 -1.63 0.23 115.31 122.01 1ksn h LEU 235 Ca -0.00 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1ksn h LEU 235 Cb 1.03 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1ksn h LEU 235 CO 0.00 0.55 -0.62 0.11 0.09 0.00 0.00 178.44 178.57 1ksn h LYS 236 N 0.20 0.00 0.05 1.13 1.79 -1.89 -1.23 116.57 116.62 1ksn h LYS 236 Ca 0.03 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1ksn h LYS 236 Cb 0.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1ksn h LYS 236 CO 0.05 0.62 -0.03 2.35 -1.08 0.00 0.00 179.45 181.36 1ksn h TRP 237 N 0.00 -0.07 -0.02 -1.35 7.01 -1.80 -1.86 115.95 117.86 1ksn h TRP 237 Ca -0.01 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.03 1ksn h TRP 237 Cb 1.40 0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 28.44 1ksn h TRP 237 CO 0.00 0.56 -0.23 0.82 -2.79 0.00 0.00 178.44 176.79 1ksn h ILE 238 N -0.84 0.46 -0.84 2.65 2.04 -0.61 0.20 117.51 120.56 1ksn h ILE 238 Ca -0.01 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.07 1ksn h ILE 238 Cb 0.65 0.46 -0.14 0.00 -0.74 0.00 0.00 36.82 37.05 1ksn h ILE 238 CO 0.01 0.00 0.17 -0.78 0.00 0.00 0.00 178.15 177.55 1ksn h ASP 239 N -0.35 -0.10 0.04 1.72 1.82 -1.27 -0.50 116.42 117.78 1ksn h ASP 239 Ca 0.07 0.20 -0.00 0.00 -0.39 0.00 0.00 57.03 56.90 1ksn h ASP 239 Cb 0.45 0.29 0.00 0.00 0.68 0.00 0.00 39.33 40.74 1ksn h ASP 239 CO -0.23 -0.16 -0.02 0.03 -1.61 0.00 0.00 179.24 177.26 1ksn h ARG 240 N 0.18 -0.05 -0.17 0.28 3.08 -0.37 -3.11 114.38 114.22 1ksn h ARG 240 Ca 0.51 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.61 1ksn h ARG 240 Cb 0.99 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1ksn h ARG 240 CO -0.66 0.35 0.24 0.77 -1.07 0.00 0.00 179.97 179.61 1ksn h SER 241 N -0.47 0.00 0.47 7.04 0.02 0.63 0.11 113.55 121.35 1ksn h SER 241 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1ksn h SER 241 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1ksn h SER 241 CO 0.01 0.00 -0.21 0.23 -1.14 0.00 0.00 176.83 175.72 1ksn n MET 242 N -3.55 0.45 -1.63 3.45 2.81 -0.32 -3.54 117.12 114.79 1ksn n MET 242 Ca 0.01 -0.19 -0.22 0.00 -1.81 0.00 0.00 57.70 55.49 1ksn n MET 242 Cb 0.36 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.44 1ksn n MET 242 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1ksn n LYS 243 N -1.11 3.06 0.00 0.03 5.02 0.39 -5.10 118.16 120.47 1ksn n LYS 243 Ca 0.11 -3.80 0.00 0.00 -2.02 0.00 0.00 58.31 52.60 1ksn n LYS 243 Cb 0.31 -2.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.14 1ksn n LYS 243 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13