#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xku s PRO 23 N 0.00 2.92 -0.04 1.61 0.04 -1.26 -5.06 135.00 133.21 1xku s PRO 23 Ca 0.00 0.92 0.05 0.00 0.04 0.00 0.00 61.00 62.00 1xku s PRO 23 Cb 0.00 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 1xku s PRO 23 CO 0.00 -1.10 -0.17 0.08 0.04 0.00 0.00 177.00 175.85 1xku s VAL 24 N -3.06 1.42 -0.27 -0.36 1.01 0.29 -4.91 120.40 114.51 1xku s VAL 24 Ca 0.58 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.62 1xku s VAL 24 Cb -0.14 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1xku s VAL 24 CO 0.55 0.41 0.69 0.00 0.00 0.00 0.00 175.10 176.74 1xku s PRO 26 N 2.65 3.53 0.11 0.00 0.02 -1.26 -4.86 135.00 135.20 1xku s PRO 26 Ca 0.28 2.14 -0.33 0.00 0.02 0.00 0.00 61.00 63.12 1xku s PRO 26 Cb -0.15 -2.45 -0.12 0.00 0.02 0.00 0.00 34.50 31.79 1xku s PRO 26 CO 0.10 -0.84 1.74 0.34 -0.33 0.00 0.00 177.00 178.00 1xku n PHE 27 N -0.54 2.48 0.00 6.54 -0.00 -1.26 -0.92 117.46 123.76 1xku n PHE 27 Ca 0.07 0.04 0.00 0.00 -0.00 0.00 0.00 57.45 57.57 1xku n PHE 27 Cb 0.45 -2.65 0.00 0.00 -0.00 0.00 0.00 39.48 37.28 1xku n PHE 27 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1xku n ARG 28 N 4.81 0.00 -1.61 -4.13 1.74 -1.26 -5.06 116.66 111.15 1xku n ARG 28 Ca 0.18 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.96 1xku n ARG 28 Cb 0.33 -0.44 0.08 0.00 -1.02 0.00 0.00 32.46 31.41 1xku n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xku s GLN 30 N -5.19 2.56 -0.29 0.00 1.11 -0.42 -4.82 119.66 112.61 1xku s GLN 30 Ca 0.60 -0.68 0.03 0.00 0.01 0.00 0.00 55.36 55.32 1xku s GLN 30 Cb -0.14 -2.14 0.08 0.00 -1.01 0.00 0.00 33.01 29.80 1xku s GLN 30 CO 0.54 -0.06 -0.04 0.00 0.01 0.00 0.00 175.29 175.74 1xku s HIS 32 N 1.09 -0.54 -1.19 0.00 5.04 -0.66 -4.95 115.29 114.09 1xku s HIS 32 Ca -0.01 1.15 -0.04 0.00 -1.54 0.00 0.00 55.06 54.62 1xku s HIS 32 Cb -0.19 0.11 -0.02 0.00 0.04 0.00 0.00 32.58 32.52 1xku s HIS 32 CO -0.07 -0.37 0.86 1.28 -2.34 0.00 0.00 174.74 174.09 1xku n LEU 33 N 5.07 -4.01 -0.28 8.88 4.77 -1.26 -1.98 117.00 128.19 1xku n LEU 33 Ca -0.12 -0.75 -0.04 0.00 -0.03 0.00 0.00 56.01 55.07 1xku n LEU 33 Cb 0.51 -2.92 -0.02 0.00 -2.33 0.00 0.00 43.42 38.66 1xku n LEU 33 CO 0.04 0.33 -0.03 0.54 -1.33 0.00 0.00 177.39 176.94 1xku n ARG 34 N -3.96 -1.19 -4.33 3.23 1.74 -1.26 -4.96 116.66 105.93 1xku n ARG 34 Ca -0.22 0.50 -0.34 0.00 -0.77 0.00 0.00 57.85 57.02 1xku n ARG 34 Cb 0.65 -4.49 -0.13 0.00 -1.02 0.00 0.00 32.46 27.47 1xku n ARG 34 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xku s VAL 35 N -1.66 3.76 -0.36 1.55 1.01 -0.84 -0.38 120.40 123.48 1xku s VAL 35 Ca 0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 1xku s VAL 35 Cb 0.00 -2.66 0.05 0.00 0.00 0.00 0.00 36.38 33.77 1xku s VAL 35 CO 0.00 0.48 0.14 -0.69 0.00 0.00 0.00 175.10 175.03 1xku s VAL 36 N 0.60 3.87 -0.48 2.92 1.01 -0.23 -1.65 120.40 126.44 1xku s VAL 36 Ca -0.03 -1.23 -0.15 0.00 0.00 0.00 0.00 61.98 60.57 1xku s VAL 36 Cb -0.14 -3.25 0.09 0.00 0.00 0.00 0.00 36.38 33.07 1xku s VAL 36 CO 0.03 -0.27 0.41 -1.58 0.00 0.00 0.00 175.10 173.68 1xku s GLN 37 N 1.40 2.95 -0.10 2.72 2.00 0.69 -0.79 119.66 128.52 1xku s GLN 37 Ca -0.00 -1.44 0.15 0.00 -2.00 0.00 0.00 55.36 52.07 1xku s GLN 37 Cb -0.20 -4.14 0.24 0.00 0.80 0.00 0.00 33.01 29.71 1xku s GLN 37 CO 0.02 -1.09 1.13 0.00 -0.50 0.00 0.00 175.29 174.86 1xku n SER 39 N -1.16 1.56 -0.97 0.00 7.64 -1.15 -4.09 113.62 115.46 1xku n SER 39 Ca 0.13 0.81 -0.09 0.00 1.01 0.00 0.00 58.87 60.73 1xku n SER 39 Cb 0.56 -1.49 -0.01 0.00 -1.01 0.00 0.00 64.21 62.26 1xku n SER 39 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1xku n ASP 40 N -1.51 -3.41 -0.52 6.43 10.43 -0.93 -4.94 116.55 122.11 1xku n ASP 40 Ca 0.15 0.05 0.06 0.00 2.57 0.00 0.00 54.79 57.62 1xku n ASP 40 Cb 0.48 -2.45 0.08 0.00 1.84 0.00 0.00 41.12 41.06 1xku n ASP 40 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1xku n LEU 41 N -1.26 2.22 -2.03 0.64 4.77 -1.24 -4.99 117.00 115.10 1xku n LEU 41 Ca -0.11 -1.24 -0.21 0.00 -0.03 0.00 0.00 56.01 54.42 1xku n LEU 41 Cb 0.51 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 1xku n LEU 41 CO 0.13 0.46 -0.24 0.61 -1.33 0.00 0.00 177.39 177.03 1xku n GLY 42 N 0.64 0.58 3.76 -0.72 0.00 -1.26 -4.96 105.19 103.22 1xku n GLY 42 Ca 0.08 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1xku n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xku s LEU 43 N -5.44 3.85 0.00 0.99 1.43 -1.26 -4.39 118.68 113.86 1xku s LEU 43 Ca 0.00 2.56 0.15 0.00 -1.03 0.00 0.00 54.13 55.81 1xku s LEU 43 Cb 0.00 -4.35 -0.16 0.00 0.03 0.00 0.00 46.19 41.72 1xku s LEU 43 CO 0.00 -1.42 0.65 -0.62 0.23 0.00 0.00 176.35 175.20 1xku n GLU 44 N -1.03 1.99 -3.83 1.70 1.02 -1.26 0.45 120.64 119.67 1xku n GLU 44 Ca 0.10 -0.04 -0.09 0.00 -0.02 0.00 0.00 57.16 57.11 1xku n GLU 44 Cb 0.47 -1.22 -0.05 0.00 -0.02 0.00 0.00 31.44 30.62 1xku n GLU 44 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1xku s LYS 45 N -2.40 1.32 0.15 3.49 -2.85 -1.26 -3.96 119.74 114.23 1xku s LYS 45 Ca 0.06 -1.00 -0.31 0.00 -1.00 0.00 0.00 55.97 53.72 1xku s LYS 45 Cb 0.12 0.47 -0.10 0.00 -2.06 0.00 0.00 37.83 36.25 1xku s LYS 45 CO 0.61 -0.54 1.70 0.08 0.10 0.00 0.00 175.35 177.30 1xku s VAL 46 N -3.92 2.47 0.41 1.79 1.01 -1.26 -4.95 120.40 115.94 1xku s VAL 46 Ca 0.13 0.21 -0.26 0.00 0.00 0.00 0.00 61.98 62.06 1xku s VAL 46 Cb 0.00 -3.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.16 1xku s VAL 46 CO -0.01 0.01 1.30 -2.84 0.00 0.00 0.00 175.10 173.56 1xku s PRO 47 N 1.78 3.96 0.47 2.72 0.02 -1.26 -5.04 135.00 137.64 1xku s PRO 47 Ca 0.75 2.15 0.08 0.00 0.02 0.00 0.00 61.00 64.01 1xku s PRO 47 Cb -0.46 -2.75 0.03 0.00 0.02 0.00 0.00 34.50 31.34 1xku s PRO 47 CO 0.33 -0.50 0.60 0.15 -0.33 0.00 0.00 177.00 177.25 1xku s LYS 48 N -2.25 2.63 -1.56 5.54 1.02 -1.26 -4.70 119.74 119.16 1xku s LYS 48 Ca 0.57 -1.41 -0.00 0.00 0.02 0.00 0.00 55.97 55.14 1xku s LYS 48 Cb -0.38 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.27 1xku s LYS 48 CO 0.49 -0.44 0.02 -0.25 -0.92 0.00 0.00 175.35 174.25 1xku n ASP 49 N -1.92 -5.34 -4.81 2.83 8.00 -1.26 -4.83 116.55 109.22 1xku n ASP 49 Ca 0.09 -0.03 -0.32 0.00 0.71 0.00 0.00 54.79 55.24 1xku n ASP 49 Cb 0.60 -4.39 0.02 0.00 -0.02 0.00 0.00 41.12 37.33 1xku n ASP 49 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xku s LEU 50 N -5.30 3.39 0.17 0.64 1.43 -1.26 -0.55 118.68 117.20 1xku s LEU 50 Ca 0.01 1.73 -0.34 0.00 -1.03 0.00 0.00 54.13 54.50 1xku s LEU 50 Cb -0.01 -4.52 -0.14 0.00 0.03 0.00 0.00 46.19 41.55 1xku s LEU 50 CO 0.01 -1.19 1.49 -2.65 0.23 0.00 0.00 176.35 174.24 1xku n PRO 51 N -2.33 1.93 0.31 1.29 -0.02 -1.26 -4.80 135.00 130.12 1xku n PRO 51 Ca 0.08 0.70 0.18 0.00 -2.02 0.00 0.00 63.50 62.44 1xku n PRO 51 Cb 0.53 -2.41 1.03 0.00 -0.02 0.00 0.00 33.50 32.63 1xku n PRO 51 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1xku h PRO 52 N 5.22 0.00 -0.20 0.52 0.11 -1.93 -2.32 132.00 133.40 1xku h PRO 52 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xku h PRO 52 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1xku h PRO 52 CO 0.83 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 178.23 1xku n ASP 53 N -3.52 1.57 -4.66 -2.05 3.85 -1.26 -4.23 116.55 106.25 1xku n ASP 53 Ca -0.03 -1.77 -0.49 0.00 -0.71 0.00 0.00 54.79 51.79 1xku n ASP 53 Cb 0.09 -0.13 -0.05 0.00 -1.35 0.00 0.00 41.12 39.68 1xku n ASP 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 1xku n THR 54 N 0.28 0.21 -0.09 2.12 -1.04 -0.88 -4.81 114.28 110.07 1xku n THR 54 Ca 0.14 -0.04 -0.09 0.00 -2.04 0.00 0.00 64.05 62.02 1xku n THR 54 Cb 0.29 -1.48 -0.14 0.00 -1.82 0.00 0.00 70.33 67.19 1xku n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xku n ALA 55 N 4.46 1.56 -3.64 2.41 0.00 0.49 -2.36 120.51 123.44 1xku n ALA 55 Ca 0.20 -1.14 -0.20 0.00 0.00 0.00 0.00 53.44 52.30 1xku n ALA 55 Cb 0.26 -0.11 -0.16 0.00 0.00 0.00 0.00 19.45 19.43 1xku n ALA 55 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xku s LEU 56 N -5.37 1.28 -0.22 0.00 0.20 -1.02 -0.96 118.68 112.60 1xku s LEU 56 Ca -0.10 -0.12 0.02 0.00 0.69 0.00 0.00 54.13 54.61 1xku s LEU 56 Cb 0.05 -0.44 0.04 0.00 -0.43 0.00 0.00 46.19 45.41 1xku s LEU 56 CO 0.70 -0.07 -0.14 -0.22 -0.29 0.00 0.00 176.35 176.33 1xku s LEU 57 N 0.99 2.72 -0.35 -0.68 2.96 -0.59 -1.07 118.68 122.66 1xku s LEU 57 Ca -0.10 -1.01 -0.06 0.00 -0.22 0.00 0.00 54.13 52.74 1xku s LEU 57 Cb -0.14 -1.47 0.06 0.00 0.50 0.00 0.00 46.19 45.14 1xku s LEU 57 CO -0.00 -0.11 0.12 -0.62 -1.32 0.00 0.00 176.35 174.42 1xku s ASP 58 N 1.23 5.28 -0.17 3.68 -1.08 0.03 -1.03 116.67 124.62 1xku s ASP 58 Ca -0.02 -1.34 0.17 0.00 -0.52 0.00 0.00 52.55 50.83 1xku s ASP 58 Cb -0.17 -1.85 0.41 0.00 -1.46 0.00 0.00 42.92 39.85 1xku s ASP 58 CO -0.09 -0.38 1.28 0.18 0.52 0.00 0.00 175.17 176.69 1xku n LEU 59 N 4.77 3.11 -4.69 -1.34 4.77 0.50 -0.59 117.00 123.52 1xku n LEU 59 Ca -0.11 -3.18 -0.43 0.00 -0.03 0.00 0.00 56.01 52.26 1xku n LEU 59 Cb 0.44 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1xku n LEU 59 CO 0.32 0.79 0.89 1.67 -1.33 0.00 0.00 177.39 179.73 1xku n GLN 60 N -1.04 2.06 -3.08 3.23 7.27 -1.18 -3.78 117.38 120.85 1xku n GLN 60 Ca 0.20 0.72 -0.13 0.00 0.07 0.00 0.00 57.00 57.86 1xku n GLN 60 Cb 0.77 -2.30 0.07 0.00 2.41 0.00 0.00 30.24 31.19 1xku n GLN 60 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1xku n ASN 61 N 0.97 -4.07 -0.06 1.69 5.15 -0.51 -2.18 115.26 116.25 1xku n ASN 61 Ca 0.06 -0.56 0.00 0.00 -0.60 0.00 0.00 54.58 53.48 1xku n ASN 61 Cb 0.35 -4.43 0.00 0.00 -0.53 0.00 0.00 39.78 35.17 1xku n ASN 61 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1xku n ASN 62 N -2.88 1.34 -0.98 1.20 3.02 -1.11 -2.35 115.26 113.50 1xku n ASN 62 Ca -0.15 -0.04 0.02 0.00 -0.03 0.00 0.00 54.58 54.38 1xku n ASN 62 Cb 0.62 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.94 1xku n ASN 62 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1xku n LYS 63 N 0.00 1.61 -1.88 3.52 5.02 0.17 -4.29 118.16 122.31 1xku n LYS 63 Ca 0.00 -3.23 -0.42 0.00 -2.02 0.00 0.00 58.31 52.64 1xku n LYS 63 Cb 0.00 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.52 1xku n LYS 63 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1xku s ILE 64 N -2.94 2.61 -0.28 -0.18 1.01 -1.08 -4.53 121.20 115.82 1xku s ILE 64 Ca 0.39 0.36 0.17 0.00 0.00 0.00 0.00 60.65 61.57 1xku s ILE 64 Cb 0.38 -3.23 -0.24 0.00 0.01 0.00 0.00 42.46 39.38 1xku s ILE 64 CO -0.07 0.02 0.49 0.35 0.00 0.00 0.00 174.94 175.73 1xku n THR 65 N 4.20 0.00 -3.54 2.92 -2.24 -1.25 -0.59 114.28 113.78 1xku n THR 65 Ca 0.15 -0.30 -0.11 0.00 -2.27 0.00 0.00 64.05 61.52 1xku n THR 65 Cb 0.38 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 1xku n THR 65 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1xku s GLU 66 N -2.99 1.20 -0.27 -0.78 -1.05 -1.26 -1.83 118.70 111.72 1xku s GLU 66 Ca -0.02 -0.61 -0.05 0.00 -0.15 0.00 0.00 54.97 54.14 1xku s GLU 66 Cb 0.12 0.53 0.01 0.00 -0.44 0.00 0.00 34.13 34.35 1xku s GLU 66 CO 0.71 -0.50 0.02 0.42 0.95 0.00 0.00 175.26 176.86 1xku s ILE 67 N -3.78 3.56 0.41 1.83 1.09 -0.50 -4.79 121.20 119.01 1xku s ILE 67 Ca 0.02 -0.75 0.05 0.00 -1.10 0.00 0.00 60.65 58.87 1xku s ILE 67 Cb 0.00 -2.79 0.00 0.00 -1.06 0.00 0.00 42.46 38.61 1xku s ILE 67 CO -0.12 0.17 0.58 -0.54 -0.10 0.00 0.00 174.94 174.94 1xku s LYS 68 N 1.45 2.95 0.39 2.79 1.02 -1.26 -2.12 119.74 124.96 1xku s LYS 68 Ca 0.02 -0.92 0.07 0.00 0.02 0.00 0.00 55.97 55.16 1xku s LYS 68 Cb -0.17 -2.70 0.83 0.00 -0.52 0.00 0.00 37.83 35.27 1xku s LYS 68 CO -0.00 -0.20 2.02 0.22 -0.92 0.00 0.00 175.35 176.46 1xku h ASP 69 N 0.60 0.54 0.09 2.83 1.82 -1.93 -2.09 116.42 118.28 1xku h ASP 69 Ca -0.44 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 1xku h ASP 69 Cb 1.27 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.15 1xku h ASP 69 CO 0.52 0.37 -0.02 0.61 -1.61 0.00 0.00 179.24 179.11 1xku n GLY 70 N -1.47 -0.72 0.26 -0.78 0.00 -1.26 -4.53 105.19 96.69 1xku n GLY 70 Ca 0.06 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.90 1xku n GLY 70 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xku h ASP 71 N 0.77 0.00 -0.13 1.61 3.45 -1.69 -3.20 116.42 117.22 1xku h ASP 71 Ca 0.00 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.35 1xku h ASP 71 Cb 0.22 0.00 -0.10 0.00 -0.56 0.00 0.00 39.33 38.90 1xku h ASP 71 CO 0.00 0.02 -0.59 0.49 -1.57 0.00 0.00 179.24 177.60 1xku n PHE 72 N -4.35 0.49 -2.59 4.55 3.01 -1.26 -4.87 117.46 112.42 1xku n PHE 72 Ca -0.03 -1.59 -0.34 0.00 1.01 0.00 0.00 57.45 56.51 1xku n PHE 72 Cb 0.11 -0.26 -0.04 0.00 -0.01 0.00 0.00 39.48 39.28 1xku n PHE 72 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 1xku s LYS 73 N -3.16 3.88 -1.42 -1.08 -2.85 -1.21 -3.88 119.74 110.01 1xku s LYS 73 Ca 0.40 1.31 -0.10 0.00 -1.00 0.00 0.00 55.97 56.58 1xku s LYS 73 Cb 0.38 -2.11 0.03 0.00 -2.06 0.00 0.00 37.83 34.07 1xku s LYS 73 CO -0.06 -0.36 1.07 0.09 0.10 0.00 0.00 175.35 176.20 1xku n ASN 74 N -0.92 -5.97 -3.03 0.03 3.02 -1.26 -4.90 115.26 102.23 1xku n ASN 74 Ca 0.09 -0.57 -0.21 0.00 -0.03 0.00 0.00 54.58 53.86 1xku n ASN 74 Cb 0.53 -4.72 -0.03 0.00 -0.61 0.00 0.00 39.78 34.95 1xku n ASN 74 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1xku n LEU 75 N -4.82 2.40 -0.01 3.41 4.77 -1.25 -4.33 117.00 117.17 1xku n LEU 75 Ca 0.01 -5.19 0.13 0.00 -0.03 0.00 0.00 56.01 50.93 1xku n LEU 75 Cb 0.56 0.17 0.50 0.00 -2.33 0.00 0.00 43.42 42.32 1xku n LEU 75 CO 0.65 2.27 0.79 0.29 -1.33 0.00 0.00 177.39 180.06 1xku n LYS 76 N 0.03 0.09 -0.02 3.23 5.02 -1.26 -2.73 118.16 122.52 1xku n LYS 76 Ca 0.27 -0.03 0.10 0.00 -2.02 0.00 0.00 58.31 56.63 1xku n LYS 76 Cb 0.57 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 34.17 1xku n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xku n ASN 77 N -1.43 2.68 -4.64 4.39 3.02 -1.26 -4.09 115.26 113.93 1xku n ASN 77 Ca 0.08 -1.82 -0.43 0.00 -0.03 0.00 0.00 54.58 52.38 1xku n ASN 77 Cb 0.33 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.44 1xku n ASN 77 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xku s LEU 78 N -1.57 4.03 -0.03 3.41 2.96 -0.99 -4.39 118.68 122.10 1xku s LEU 78 Ca 0.24 2.06 0.20 0.00 -0.22 0.00 0.00 54.13 56.41 1xku s LEU 78 Cb 0.16 -3.53 -0.31 0.00 0.50 0.00 0.00 46.19 43.02 1xku s LEU 78 CO 0.24 -1.27 0.46 0.00 -1.32 0.00 0.00 176.35 174.47 1xku n HIS 79 N 8.56 0.00 -3.87 5.38 1.44 -0.13 -2.19 115.22 124.41 1xku n HIS 79 Ca 0.21 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.73 1xku n HIS 79 Cb 0.44 -0.44 -0.17 0.00 0.12 0.00 0.00 29.99 29.94 1xku n HIS 79 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1xku s THR 80 N -3.38 0.18 -0.13 0.61 2.01 -0.91 -0.60 115.64 113.43 1xku s THR 80 Ca -0.07 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1xku s THR 80 Cb 0.13 -0.31 0.02 0.00 0.01 0.00 0.00 72.50 72.35 1xku s THR 80 CO 0.84 0.17 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.60 1xku s LEU 81 N 1.37 1.55 -0.31 4.42 2.96 -0.53 -1.55 118.68 126.59 1xku s LEU 81 Ca -0.05 -0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 53.39 1xku s LEU 81 Cb -0.13 -1.07 0.03 0.00 0.50 0.00 0.00 46.19 45.52 1xku s LEU 81 CO -0.02 -0.06 0.06 -0.63 -1.32 0.00 0.00 176.35 174.37 1xku s ILE 82 N 1.47 3.57 -0.28 6.68 1.01 -0.20 -1.58 121.20 131.87 1xku s ILE 82 Ca 0.03 -1.07 0.10 0.00 0.00 0.00 0.00 60.65 59.71 1xku s ILE 82 Cb -0.13 -2.96 0.24 0.00 0.01 0.00 0.00 42.46 39.61 1xku s ILE 82 CO -0.09 -0.07 1.17 0.18 0.00 0.00 0.00 174.94 176.14 1xku n LEU 83 N 4.77 2.64 -4.55 2.97 4.77 0.03 -0.37 117.00 127.25 1xku n LEU 83 Ca -0.13 -2.45 -0.49 0.00 -0.03 0.00 0.00 56.01 52.91 1xku n LEU 83 Cb 0.45 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 1xku n LEU 83 CO 0.30 0.64 0.59 -0.38 -1.33 0.00 0.00 177.39 177.21 1xku n ILE 84 N -0.49 1.15 -3.10 -0.08 5.41 -1.13 -3.55 119.36 117.57 1xku n ILE 84 Ca 0.10 -0.29 -0.14 0.00 1.00 0.00 0.00 62.75 63.43 1xku n ILE 84 Cb 0.50 -0.71 0.07 0.00 -0.71 0.00 0.00 39.64 38.79 1xku n ILE 84 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1xku n ASN 85 N 1.84 -4.01 0.00 4.38 5.15 -0.09 -1.42 115.26 121.10 1xku n ASN 85 Ca 0.15 -0.57 0.00 0.00 -0.60 0.00 0.00 54.58 53.56 1xku n ASN 85 Cb 0.25 -4.47 0.00 0.00 -0.53 0.00 0.00 39.78 35.02 1xku n ASN 85 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1xku n ASN 86 N -2.89 0.76 -2.33 1.20 3.02 -1.04 -1.78 115.26 112.20 1xku n ASN 86 Ca -0.15 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.25 1xku n ASN 86 Cb 0.62 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.83 1xku n ASN 86 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1xku n LYS 87 N 0.00 2.87 -2.37 3.52 4.76 0.25 -4.51 118.16 122.68 1xku n LYS 87 Ca 0.00 -3.90 -0.43 0.00 -2.87 0.00 0.00 58.31 51.11 1xku n LYS 87 Cb 0.00 -2.01 -0.02 0.00 -1.84 0.00 0.00 35.03 31.16 1xku n LYS 87 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1xku s ILE 88 N -4.28 4.14 -0.54 -0.18 1.01 -1.01 -4.21 121.20 116.13 1xku s ILE 88 Ca 0.42 1.34 0.05 0.00 0.00 0.00 0.00 60.65 62.45 1xku s ILE 88 Cb 0.37 -3.98 0.05 0.00 0.01 0.00 0.00 42.46 38.91 1xku s ILE 88 CO 0.01 -0.25 0.74 -1.54 0.00 0.00 0.00 174.94 173.89 1xku n SER 89 N 7.13 1.58 -3.65 3.58 3.41 -0.76 -0.21 113.62 124.70 1xku n SER 89 Ca 0.15 -1.35 -0.06 0.00 -0.26 0.00 0.00 58.87 57.34 1xku n SER 89 Cb 0.45 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.31 1xku n SER 89 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1xku s LYS 90 N -0.51 0.57 -0.15 4.33 2.20 -1.25 -4.70 119.74 120.24 1xku s LYS 90 Ca 0.06 1.19 -0.00 0.00 -0.36 0.00 0.00 55.97 56.86 1xku s LYS 90 Cb 0.04 0.34 0.04 0.00 -1.51 0.00 0.00 37.83 36.73 1xku s LYS 90 CO 0.06 -0.18 -0.06 0.42 -0.36 0.00 0.00 175.35 175.23 1xku s ILE 91 N 2.06 1.10 0.48 5.43 1.01 -1.26 -1.41 121.20 128.62 1xku s ILE 91 Ca -0.08 -0.55 -0.23 0.00 0.00 0.00 0.00 60.65 59.79 1xku s ILE 91 Cb -0.08 -1.24 -0.08 0.00 0.01 0.00 0.00 42.46 41.07 1xku s ILE 91 CO -0.18 0.19 1.14 -1.20 0.00 0.00 0.00 174.94 174.89 1xku n SER 92 N 4.89 1.79 -4.76 3.58 7.64 -0.90 -4.80 113.62 121.04 1xku n SER 92 Ca -0.12 1.00 -0.41 0.00 1.01 0.00 0.00 58.87 60.35 1xku n SER 92 Cb 0.48 -1.44 -0.02 0.00 -1.01 0.00 0.00 64.21 62.22 1xku n SER 92 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1xku s PRO 93 N -2.36 4.26 -0.57 1.43 0.02 -1.26 -1.82 135.00 134.70 1xku s PRO 93 Ca 0.66 2.34 0.00 0.00 0.02 0.00 0.00 61.00 64.02 1xku s PRO 93 Cb -0.49 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 30.97 1xku s PRO 93 CO 0.54 -0.35 0.00 0.41 -0.33 0.00 0.00 177.00 177.27 1xku n GLY 94 N 1.21 0.60 0.36 0.52 0.00 -0.56 -4.86 105.19 102.45 1xku n GLY 94 Ca 0.03 -0.06 0.18 0.00 0.00 0.00 0.00 46.02 46.16 1xku n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xku h ALA 95 N 0.00 2.03 0.00 4.61 0.00 -1.63 -1.59 119.26 122.69 1xku h ALA 95 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xku h ALA 95 Cb 0.91 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1xku h ALA 95 CO 0.16 -0.46 -1.09 1.19 0.00 0.00 0.00 179.25 179.06 1xku n PHE 96 N -3.91 0.11 -0.01 0.00 3.72 -1.26 -4.42 117.46 111.69 1xku n PHE 96 Ca 0.05 0.03 0.03 0.00 -0.05 0.00 0.00 57.45 57.51 1xku n PHE 96 Cb 0.45 -0.27 0.41 0.00 -0.94 0.00 0.00 39.48 39.13 1xku n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xku h ALA 97 N 2.69 1.67 0.00 4.37 0.00 -1.41 -0.21 119.26 126.37 1xku h ALA 97 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xku h ALA 97 Cb 0.66 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1xku h ALA 97 CO 0.00 0.30 0.00 -1.35 0.00 0.00 0.00 179.25 178.20 1xku h PRO 98 N 0.57 0.00 -4.71 0.00 0.11 -1.80 -3.34 132.00 122.84 1xku h PRO 98 Ca 0.15 0.00 -0.71 0.00 0.11 0.00 0.00 66.00 65.55 1xku h PRO 98 Cb -0.03 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 30.98 1xku h PRO 98 CO -0.03 0.00 2.33 1.28 -0.21 0.00 0.00 178.00 181.37 1xku n LEU 99 N -2.39 5.87 0.04 2.35 4.77 -0.09 -4.53 117.00 123.02 1xku n LEU 99 Ca -0.01 -4.20 0.11 0.00 -0.03 0.00 0.00 56.01 51.88 1xku n LEU 99 Cb 0.06 -1.66 0.46 0.00 -2.33 0.00 0.00 43.42 39.95 1xku n LEU 99 CO 0.12 0.75 0.85 1.33 -1.33 0.00 0.00 177.39 179.11 1xku n VAL 100 N 5.19 0.58 -0.11 4.08 0.24 -1.25 -1.75 118.33 125.30 1xku n VAL 100 Ca 0.46 0.08 0.03 0.00 -2.04 0.00 0.00 64.34 62.88 1xku n VAL 100 Cb 0.42 -0.80 0.09 0.00 -1.47 0.00 0.00 33.84 32.08 1xku n VAL 100 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1xku n LYS 101 N -1.73 2.92 -1.84 7.34 4.76 -1.26 -4.68 118.16 123.67 1xku n LYS 101 Ca 0.05 -1.84 -0.42 0.00 -2.87 0.00 0.00 58.31 53.23 1xku n LYS 101 Cb 0.27 -1.17 -0.03 0.00 -1.84 0.00 0.00 35.03 32.27 1xku n LYS 101 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1xku s LEU 102 N -1.01 4.38 -0.11 -0.35 2.96 -0.72 -4.15 118.68 119.69 1xku s LEU 102 Ca 0.14 2.62 0.06 0.00 -0.22 0.00 0.00 54.13 56.73 1xku s LEU 102 Cb 0.07 -3.57 -0.11 0.00 0.50 0.00 0.00 46.19 43.09 1xku s LEU 102 CO 0.10 -0.93 -0.02 -0.62 -1.32 0.00 0.00 176.35 173.56 1xku n GLU 103 N 5.35 1.65 -4.42 1.98 1.02 0.23 -2.20 120.64 124.25 1xku n GLU 103 Ca 0.16 0.02 -0.25 0.00 -0.02 0.00 0.00 57.16 57.07 1xku n GLU 103 Cb 0.39 -1.25 -0.17 0.00 -0.02 0.00 0.00 31.44 30.39 1xku n GLU 103 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1xku s ARG 104 N -2.24 1.70 -0.23 3.49 0.52 -0.61 0.09 118.95 121.67 1xku s ARG 104 Ca -0.09 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.73 1xku s ARG 104 Cb 0.03 -1.48 0.06 0.00 0.52 0.00 0.00 34.95 34.08 1xku s ARG 104 CO 0.36 -0.05 -0.04 -1.17 0.02 0.00 0.00 175.30 174.43 1xku s LEU 105 N 0.92 2.30 -0.30 2.53 2.96 -0.56 -1.45 118.68 125.08 1xku s LEU 105 Ca -0.10 -1.11 -0.05 0.00 -0.22 0.00 0.00 54.13 52.65 1xku s LEU 105 Cb -0.15 -1.07 0.02 0.00 0.50 0.00 0.00 46.19 45.50 1xku s LEU 105 CO 0.01 -0.25 0.06 -0.31 -1.32 0.00 0.00 176.35 174.53 1xku s TYR 106 N 1.48 3.17 -0.01 5.38 4.12 -0.62 -1.65 117.35 129.23 1xku s TYR 106 Ca -0.05 -1.26 0.02 0.00 0.02 0.00 0.00 57.07 55.81 1xku s TYR 106 Cb -0.19 -2.22 0.03 0.00 -1.52 0.00 0.00 41.96 38.07 1xku s TYR 106 CO -0.07 -0.66 0.95 1.28 0.02 0.00 0.00 175.55 177.08 1xku n LEU 107 N 4.80 1.75 -4.73 -1.29 4.77 0.13 -0.79 117.00 121.64 1xku n LEU 107 Ca -0.14 -1.85 -0.37 0.00 -0.03 0.00 0.00 56.01 53.61 1xku n LEU 107 Cb 0.47 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.57 1xku n LEU 107 CO 0.30 0.46 0.90 -0.44 -1.33 0.00 0.00 177.39 177.28 1xku s SER 108 N -1.09 4.64 -0.84 -1.43 0.01 -1.13 -3.82 113.70 110.03 1xku s SER 108 Ca 0.04 2.61 -0.03 0.00 1.31 0.00 0.00 55.95 59.88 1xku s SER 108 Cb 0.03 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 1xku s SER 108 CO 0.00 -1.98 0.73 0.29 0.41 0.00 0.00 173.24 172.69 1xku n LYS 109 N -1.89 -2.74 -1.78 12.44 5.02 -0.07 -0.91 118.16 128.24 1xku n LYS 109 Ca 0.16 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 1xku n LYS 109 Cb 0.48 -4.91 0.00 0.00 -0.02 0.00 0.00 35.03 30.58 1xku n LYS 109 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xku n ASN 110 N -2.77 0.35 -1.68 4.39 3.02 -1.04 -2.11 115.26 115.41 1xku n ASN 110 Ca -0.10 -0.89 -0.16 0.00 -0.03 0.00 0.00 54.58 53.40 1xku n ASN 110 Cb 0.60 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.84 1xku n ASN 110 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xku n GLN 111 N 0.00 3.09 -2.30 3.52 6.02 0.70 -4.17 117.38 124.24 1xku n GLN 111 Ca 0.00 -3.94 -0.39 0.00 -0.01 0.00 0.00 57.00 52.66 1xku n GLN 111 Cb 0.00 -2.10 -0.02 0.00 1.02 0.00 0.00 30.24 29.13 1xku n GLN 111 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xku s LEU 112 N -3.50 4.27 -0.02 1.08 1.02 -1.05 -4.34 118.68 116.14 1xku s LEU 112 Ca 0.47 2.38 0.17 0.00 0.02 0.00 0.00 54.13 57.18 1xku s LEU 112 Cb 0.40 -3.92 -0.25 0.00 0.02 0.00 0.00 46.19 42.44 1xku s LEU 112 CO 0.01 -0.59 0.46 0.29 0.02 0.00 0.00 176.35 176.54 1xku n LYS 113 N 0.31 0.74 -3.84 1.70 4.76 -1.26 -0.58 118.16 120.00 1xku n LYS 113 Ca 0.03 -0.12 -0.09 0.00 -2.87 0.00 0.00 58.31 55.26 1xku n LYS 113 Cb 0.46 -1.38 -0.04 0.00 -1.84 0.00 0.00 35.03 32.22 1xku n LYS 113 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1xku s GLU 114 N -3.05 1.43 0.38 1.97 -1.05 -1.26 -1.72 118.70 115.39 1xku s GLU 114 Ca -0.03 -1.01 -0.21 0.00 -0.15 0.00 0.00 54.97 53.57 1xku s GLU 114 Cb 0.11 0.50 -0.10 0.00 -0.44 0.00 0.00 34.13 34.20 1xku s GLU 114 CO 0.71 -0.60 0.90 -0.51 0.95 0.00 0.00 175.26 176.71 1xku s LEU 115 N -2.92 4.05 0.34 1.83 1.43 -1.26 -5.01 118.68 117.14 1xku s LEU 115 Ca 0.14 1.62 -0.29 0.00 -1.03 0.00 0.00 54.13 54.57 1xku s LEU 115 Cb -0.01 -4.32 -0.11 0.00 0.03 0.00 0.00 46.19 41.79 1xku s LEU 115 CO 0.01 -0.26 1.41 -2.16 0.23 0.00 0.00 176.35 175.58 1xku s PRO 116 N -2.89 4.22 0.30 1.29 0.04 -1.26 -4.99 135.00 131.71 1xku s PRO 116 Ca 0.58 2.40 -0.14 0.00 0.04 0.00 0.00 61.00 63.88 1xku s PRO 116 Cb -0.11 -3.03 -0.09 0.00 0.04 0.00 0.00 34.50 31.32 1xku s PRO 116 CO 0.16 -0.39 0.69 -1.21 0.04 0.00 0.00 177.00 176.30 1xku s GLU 117 N -1.74 3.95 -1.28 4.56 0.41 -1.26 -4.39 118.70 118.95 1xku s GLU 117 Ca 0.52 0.58 -0.01 0.00 -0.41 0.00 0.00 54.97 55.65 1xku s GLU 117 Cb -0.43 -2.48 0.01 0.00 -1.78 0.00 0.00 34.13 29.44 1xku s GLU 117 CO 0.56 0.19 0.83 1.63 -0.49 0.00 0.00 175.26 177.99 1xku n LYS 118 N -0.33 -5.65 -1.68 1.61 5.02 -1.26 -1.49 118.16 114.37 1xku n LYS 118 Ca 0.03 0.70 -0.35 0.00 -2.02 0.00 0.00 58.31 56.68 1xku n LYS 118 Cb 0.53 -5.46 0.06 0.00 -0.02 0.00 0.00 35.03 30.15 1xku n LYS 118 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1xku s MET 119 N -5.82 2.54 0.34 1.97 -1.94 -1.26 -3.96 119.30 111.17 1xku s MET 119 Ca 0.06 1.70 -0.29 0.00 -1.71 0.00 0.00 55.69 55.45 1xku s MET 119 Cb -0.03 -1.89 -0.11 0.00 2.01 0.00 0.00 34.83 34.81 1xku s MET 119 CO 0.78 -1.52 1.51 -2.14 -0.01 0.00 0.00 175.02 173.64 1xku s PRO 120 N -3.77 4.13 0.33 2.03 0.02 -1.26 -4.88 135.00 131.60 1xku s PRO 120 Ca 0.74 2.54 0.26 0.00 0.02 0.00 0.00 61.00 64.56 1xku s PRO 120 Cb -0.28 -3.00 1.11 0.00 0.02 0.00 0.00 34.50 32.35 1xku s PRO 120 CO 0.41 -0.54 1.78 0.87 -0.33 0.00 0.00 177.00 179.18 1xku h LYS 121 N 3.64 0.00 0.00 5.54 6.56 -1.91 -2.18 116.57 128.22 1xku h LYS 121 Ca -0.49 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 1xku h LYS 121 Cb 1.23 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 1xku h LYS 121 CO 0.69 0.00 0.00 0.25 -2.06 0.00 0.00 179.45 178.33 1xku n THR 122 N -2.42 0.53 -1.63 -0.16 -2.24 -1.26 -4.11 114.28 102.98 1xku n THR 122 Ca 0.01 0.02 -0.51 0.00 -2.27 0.00 0.00 64.05 61.31 1xku n THR 122 Cb 0.22 -0.75 -0.05 0.00 -2.10 0.00 0.00 70.33 67.65 1xku n THR 122 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1xku n LEU 123 N -1.84 2.28 -0.06 3.22 7.94 -0.82 -4.51 117.00 123.20 1xku n LEU 123 Ca 0.05 1.09 -0.06 0.00 -1.11 0.00 0.00 56.01 55.98 1xku n LEU 123 Cb 0.31 -1.27 -0.09 0.00 0.53 0.00 0.00 43.42 42.90 1xku n LEU 123 CO 0.24 -0.69 -0.90 0.00 -1.11 0.00 0.00 177.39 174.93 1xku n GLN 124 N 3.38 1.81 -3.78 1.96 6.02 0.11 -1.71 117.38 125.17 1xku n GLN 124 Ca 0.19 0.01 -0.14 0.00 -0.01 0.00 0.00 57.00 57.05 1xku n GLN 124 Cb 0.22 -1.30 -0.15 0.00 1.02 0.00 0.00 30.24 30.03 1xku n GLN 124 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1xku s GLU 125 N -2.28 0.03 -0.10 -1.09 2.12 -0.37 -0.02 118.70 116.97 1xku s GLU 125 Ca -0.08 0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.48 1xku s GLU 125 Cb 0.04 -0.17 0.02 0.00 0.26 0.00 0.00 34.13 34.28 1xku s GLU 125 CO 0.45 -0.14 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.77 1xku s LEU 126 N 0.91 1.36 -0.14 2.70 2.96 -0.67 -1.49 118.68 124.30 1xku s LEU 126 Ca -0.07 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1xku s LEU 126 Cb -0.10 -0.87 0.01 0.00 0.50 0.00 0.00 46.19 45.74 1xku s LEU 126 CO -0.03 -0.07 -0.19 -0.13 -1.32 0.00 0.00 176.35 174.60 1xku s ARG 127 N 1.39 2.76 -0.28 1.98 0.52 -0.66 -1.24 118.95 123.42 1xku s ARG 127 Ca -0.01 -0.75 0.20 0.00 -0.52 0.00 0.00 55.73 54.65 1xku s ARG 127 Cb -0.13 -2.30 0.49 0.00 0.52 0.00 0.00 34.95 33.52 1xku s ARG 127 CO -0.05 -0.09 1.08 0.28 0.02 0.00 0.00 175.30 176.55 1xku n VAL 128 N 4.28 1.38 -2.00 3.52 0.31 -0.12 0.22 118.33 125.92 1xku n VAL 128 Ca -0.20 -3.16 -0.39 0.00 -0.01 0.00 0.00 64.34 60.58 1xku n VAL 128 Cb 0.51 0.81 0.00 0.00 -0.91 0.00 0.00 33.84 34.25 1xku n VAL 128 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1xku s HIS 129 N -3.62 2.72 -1.05 3.52 5.04 -1.25 -4.05 115.29 116.60 1xku s HIS 129 Ca 0.30 1.38 -0.06 0.00 -1.54 0.00 0.00 55.06 55.15 1xku s HIS 129 Cb 0.36 -3.71 -0.07 0.00 0.04 0.00 0.00 32.58 29.20 1xku s HIS 129 CO -0.02 -2.27 0.92 -1.91 -2.34 0.00 0.00 174.74 169.12 1xku n GLU 130 N -0.02 -2.27 0.00 2.88 2.13 -0.16 -0.89 120.64 122.31 1xku n GLU 130 Ca 0.04 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.73 1xku n GLU 130 Cb 0.43 -5.83 0.00 0.00 0.27 0.00 0.00 31.44 26.31 1xku n GLU 130 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1xku n ASN 131 N -3.23 1.03 -1.85 4.31 3.02 -1.08 -2.24 115.26 115.22 1xku n ASN 131 Ca -0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.37 1xku n ASN 131 Cb 0.62 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.86 1xku n ASN 131 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xku n GLU 132 N 0.00 2.50 -2.05 3.52 1.02 0.26 -4.60 120.64 121.29 1xku n GLU 132 Ca 0.00 -3.67 -0.42 0.00 -0.02 0.00 0.00 57.16 53.05 1xku n GLU 132 Cb 0.00 -1.81 -0.03 0.00 -0.02 0.00 0.00 31.44 29.58 1xku n GLU 132 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xku s ILE 133 N -3.76 3.30 0.00 -3.67 -1.09 -0.79 -4.18 121.20 111.01 1xku s ILE 133 Ca 0.42 0.74 0.00 0.00 -2.23 0.00 0.00 60.65 59.58 1xku s ILE 133 Cb 0.38 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.78 1xku s ILE 133 CO -0.02 0.00 0.00 0.35 -1.23 0.00 0.00 174.94 174.04 1xku n THR 134 N 4.65 0.00 -3.97 2.92 -2.24 -0.70 -1.78 114.28 113.16 1xku n THR 134 Ca 0.15 -0.48 -0.18 0.00 -2.27 0.00 0.00 64.05 61.27 1xku n THR 134 Cb 0.42 0.99 -0.16 0.00 -2.10 0.00 0.00 70.33 69.48 1xku n THR 134 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1xku s LYS 135 N -0.98 0.41 -0.32 -0.78 -2.85 -1.21 -4.42 119.74 109.58 1xku s LYS 135 Ca 0.00 0.04 0.01 0.00 -1.00 0.00 0.00 55.97 55.02 1xku s LYS 135 Cb 0.00 -0.57 0.08 0.00 -2.06 0.00 0.00 37.83 35.28 1xku s LYS 135 CO 0.00 -0.13 0.03 0.08 0.10 0.00 0.00 175.35 175.43 1xku s VAL 136 N 1.03 2.63 0.03 1.79 1.01 0.59 -4.06 120.40 123.41 1xku s VAL 136 Ca -0.10 -1.86 -0.15 0.00 0.00 0.00 0.00 61.98 59.87 1xku s VAL 136 Cb -0.14 -2.70 -0.06 0.00 0.00 0.00 0.00 36.38 33.49 1xku s VAL 136 CO -0.01 -0.34 0.44 -0.13 0.00 0.00 0.00 175.10 175.05 1xku s ARG 137 N 1.09 3.95 0.36 2.72 0.52 -1.26 -1.94 118.95 124.38 1xku s ARG 137 Ca 0.01 0.44 0.08 0.00 -0.52 0.00 0.00 55.73 55.75 1xku s ARG 137 Cb -0.20 -3.19 0.80 0.00 0.52 0.00 0.00 34.95 32.89 1xku s ARG 137 CO -0.05 0.66 1.89 -0.22 0.02 0.00 0.00 175.30 177.60 1xku h LYS 138 N 4.52 0.68 -0.94 3.54 3.64 -1.88 -2.86 116.57 123.28 1xku h LYS 138 Ca -0.51 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 58.85 1xku h LYS 138 Cb 1.22 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.83 1xku h LYS 138 CO 0.62 0.45 0.62 0.66 -2.27 0.00 0.00 179.45 179.53 1xku h SER 139 N 0.70 1.04 -0.84 4.20 4.64 -1.94 -1.18 113.55 120.17 1xku h SER 139 Ca 0.41 -0.02 0.21 0.00 -0.47 0.00 0.00 61.79 61.93 1xku h SER 139 Cb 0.62 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 62.41 1xku h SER 139 CO -0.18 0.73 0.58 -0.37 -0.87 0.00 0.00 176.83 176.72 1xku h VAL 140 N 1.22 0.65 0.00 0.95 -1.51 -1.82 -3.04 116.25 112.70 1xku h VAL 140 Ca 0.36 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.75 1xku h VAL 140 Cb -0.06 0.41 0.00 0.00 -2.13 0.00 0.00 31.29 29.51 1xku h VAL 140 CO -0.10 0.04 -1.14 0.49 -1.23 0.00 0.00 177.57 175.63 1xku n PHE 141 N -4.41 0.00 -1.68 5.19 3.72 -0.48 -4.62 117.46 115.18 1xku n PHE 141 Ca 0.18 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.13 1xku n PHE 141 Cb 0.76 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 39.15 1xku n PHE 141 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1xku n ASN 142 N -1.63 3.22 0.00 4.37 3.02 -1.02 -1.96 115.26 121.26 1xku n ASN 142 Ca 0.02 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.66 1xku n ASN 142 Cb 0.35 -1.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.05 1xku n ASN 142 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xku n GLY 143 N 3.15 0.97 2.74 7.41 0.00 -1.25 -4.93 105.19 113.27 1xku n GLY 143 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1xku n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xku n LEU 144 N 0.00 6.86 -0.65 0.99 4.77 -0.83 -4.73 117.00 123.41 1xku n LEU 144 Ca 0.00 -4.15 0.09 0.00 -0.03 0.00 0.00 56.01 51.92 1xku n LEU 144 Cb 0.00 -1.66 0.29 0.00 -2.33 0.00 0.00 43.42 39.73 1xku n LEU 144 CO 0.00 1.11 0.72 0.59 -1.33 0.00 0.00 177.39 178.49 1xku n ASN 145 N 6.06 1.93 -0.07 -1.43 3.02 -1.26 -3.27 115.26 120.24 1xku n ASN 145 Ca 0.52 -1.83 0.06 0.00 -0.03 0.00 0.00 54.58 53.30 1xku n ASN 145 Cb 0.39 -0.17 -0.06 0.00 -0.61 0.00 0.00 39.78 39.33 1xku n ASN 145 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xku n GLN 146 N 0.51 2.41 -1.67 3.52 1.13 -1.26 -4.17 117.38 117.85 1xku n GLN 146 Ca 0.15 -0.17 -0.44 0.00 -1.94 0.00 0.00 57.00 54.61 1xku n GLN 146 Cb 0.35 -1.15 -0.04 0.00 0.11 0.00 0.00 30.24 29.51 1xku n GLN 146 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1xku n MET 147 N -1.06 2.65 -0.05 -1.09 2.81 -0.70 -4.28 117.12 115.40 1xku n MET 147 Ca 0.03 0.97 -0.05 0.00 -1.81 0.00 0.00 57.70 56.84 1xku n MET 147 Cb 0.23 -2.87 -0.07 0.00 -0.71 0.00 0.00 33.22 29.79 1xku n MET 147 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1xku n ILE 148 N 5.14 0.66 -4.22 2.02 -5.35 0.97 -2.22 119.36 116.36 1xku n ILE 148 Ca 0.20 -0.38 -0.20 0.00 -0.27 0.00 0.00 62.75 62.11 1xku n ILE 148 Cb 0.37 -0.78 -0.16 0.00 -1.74 0.00 0.00 39.64 37.32 1xku n ILE 148 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1xku s VAL 149 N -2.23 0.57 -0.07 7.28 1.01 -0.79 -0.92 120.40 125.25 1xku s VAL 149 Ca -0.07 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1xku s VAL 149 Cb 0.03 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.86 1xku s VAL 149 CO 0.37 0.22 -0.10 -0.69 0.00 0.00 0.00 175.10 174.90 1xku s VAL 150 N 0.67 0.98 -0.17 2.92 1.01 -0.82 -1.68 120.40 123.31 1xku s VAL 150 Ca -0.09 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1xku s VAL 150 Cb -0.12 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.33 1xku s VAL 150 CO 0.00 0.33 -0.17 -0.70 0.00 0.00 0.00 175.10 174.56 1xku s GLU 151 N 0.92 3.11 -0.06 2.72 2.56 -0.37 -1.20 118.70 126.38 1xku s GLU 151 Ca -0.10 -0.79 0.08 0.00 0.00 0.00 0.00 54.97 54.16 1xku s GLU 151 Cb -0.15 -2.61 0.12 0.00 2.00 0.00 0.00 34.13 33.50 1xku s GLU 151 CO 0.01 -0.10 1.04 1.28 -0.56 0.00 0.00 175.26 176.93 1xku n LEU 152 N 4.37 1.09 -4.85 2.70 4.77 0.86 -0.95 117.00 124.99 1xku n LEU 152 Ca -0.20 -1.89 -0.30 0.00 -0.03 0.00 0.00 56.01 53.59 1xku n LEU 152 Cb 0.51 -0.19 0.21 0.00 -2.33 0.00 0.00 43.42 41.62 1xku n LEU 152 CO 0.27 0.45 0.83 -0.83 -1.33 0.00 0.00 177.39 176.78 1xku s GLY 153 N -1.77 1.75 -0.91 -0.72 0.00 -1.25 -4.38 107.32 100.05 1xku s GLY 153 Ca 0.14 -1.20 -0.08 0.00 0.00 0.00 0.00 44.72 43.57 1xku s GLY 153 CO 0.01 -0.38 0.67 2.41 0.00 0.00 0.00 173.10 175.82 1xku n THR 154 N -4.05 -5.34 -3.85 0.90 -1.04 0.14 -0.99 114.28 100.05 1xku n THR 154 Ca 0.16 -0.32 -0.12 0.00 -2.04 0.00 0.00 64.05 61.73 1xku n THR 154 Cb 0.59 -4.06 -0.10 0.00 -1.82 0.00 0.00 70.33 64.94 1xku n THR 154 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1xku s ASN 155 N -3.14 -0.02 0.00 8.00 0.01 -1.23 -2.09 114.94 116.47 1xku s ASN 155 Ca 0.15 -0.09 0.17 0.00 -0.71 0.00 0.00 52.86 52.38 1xku s ASN 155 Cb -0.06 0.24 1.01 0.00 0.41 0.00 0.00 41.25 42.85 1xku s ASN 155 CO 0.86 -0.33 1.44 -0.81 -1.51 0.00 0.00 177.10 176.76 1xku n PRO 156 N 1.69 0.50 -1.47 -0.60 -0.04 -1.24 -3.92 135.00 129.91 1xku n PRO 156 Ca -0.21 0.02 -0.58 0.00 -0.04 0.00 0.00 63.50 62.69 1xku n PRO 156 Cb 0.56 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.44 1xku n PRO 156 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1xku n LEU 157 N -1.04 -0.01 -4.87 1.53 7.94 -0.73 -4.20 117.00 115.62 1xku n LEU 157 Ca 0.12 1.14 -0.21 0.00 -1.11 0.00 0.00 56.01 55.95 1xku n LEU 157 Cb 0.07 -0.90 -0.03 0.00 0.53 0.00 0.00 43.42 43.09 1xku n LEU 157 CO 0.10 -1.87 -0.04 -0.54 -1.11 0.00 0.00 177.39 173.93 1xku s LYS 158 N -0.00 2.66 0.27 1.96 1.02 -1.26 -0.84 119.74 123.55 1xku s LYS 158 Ca 0.89 -1.38 -0.02 0.00 0.02 0.00 0.00 55.97 55.48 1xku s LYS 158 Cb -1.24 -2.46 0.36 0.00 -0.52 0.00 0.00 37.83 33.97 1xku s LYS 158 CO 0.56 -0.03 1.80 0.77 -0.92 0.00 0.00 175.35 177.53 1xku h SER 159 N 1.13 0.79 0.00 2.83 0.02 -1.92 -1.16 113.55 115.25 1xku h SER 159 Ca -0.43 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1xku h SER 159 Cb 1.26 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1xku h SER 159 CO 0.57 0.80 0.05 0.77 -1.14 0.00 0.00 176.83 177.88 1xku h SER 160 N 0.81 0.00 0.44 3.07 4.64 -1.96 -2.27 113.55 118.28 1xku h SER 160 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1xku h SER 160 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1xku h SER 160 CO 0.00 0.00 -0.38 0.61 -0.87 0.00 0.00 176.83 176.19 1xku n GLY 161 N -1.14 -1.06 3.40 -0.77 0.00 -0.44 -4.68 105.19 100.50 1xku n GLY 161 Ca -0.03 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 1xku n GLY 161 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xku s ILE 162 N -2.83 4.74 0.40 -0.61 1.01 -0.86 -0.30 121.20 122.76 1xku s ILE 162 Ca 0.16 -0.77 -0.26 0.00 0.00 0.00 0.00 60.65 59.77 1xku s ILE 162 Cb 0.18 -3.63 -0.10 0.00 0.01 0.00 0.00 42.46 38.92 1xku s ILE 162 CO 0.63 -0.23 1.30 -0.62 0.00 0.00 0.00 174.94 176.02 1xku n GLU 163 N 5.03 2.06 -1.70 2.79 1.02 -0.82 -4.90 120.64 124.13 1xku n GLU 163 Ca -0.12 0.73 -0.44 0.00 -0.02 0.00 0.00 57.16 57.32 1xku n GLU 163 Cb 0.46 -2.41 -0.03 0.00 -0.02 0.00 0.00 31.44 29.45 1xku n GLU 163 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xku n ASN 164 N 0.35 3.47 -0.98 1.62 3.02 -1.26 -1.80 115.26 119.67 1xku n ASN 164 Ca 0.06 1.10 -0.13 0.00 -0.03 0.00 0.00 54.58 55.58 1xku n ASN 164 Cb 0.39 -1.51 -0.05 0.00 -0.61 0.00 0.00 39.78 37.99 1xku n ASN 164 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xku n GLY 165 N 3.07 1.37 0.37 7.41 0.00 -0.87 -4.90 105.19 111.64 1xku n GLY 165 Ca 0.14 -0.42 0.07 0.00 0.00 0.00 0.00 46.02 45.81 1xku n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xku h ALA 166 N 0.00 1.56 -0.00 4.61 0.00 -1.61 -0.93 119.26 122.89 1xku h ALA 166 Ca -0.26 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xku h ALA 166 Cb 0.84 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1xku h ALA 166 CO 0.38 0.21 -0.10 1.19 0.00 0.00 0.00 179.25 180.93 1xku n PHE 167 N -4.58 0.00 0.27 0.00 3.01 -1.26 -4.29 117.46 110.60 1xku n PHE 167 Ca 0.18 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.74 1xku n PHE 167 Cb 0.34 -0.17 0.73 0.00 -0.01 0.00 0.00 39.48 40.38 1xku n PHE 167 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1xku h GLN 168 N 0.63 0.00 0.00 -1.08 5.75 -1.29 -2.77 115.11 116.35 1xku h GLN 168 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1xku h GLN 168 Cb 0.35 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.90 1xku h GLN 168 CO 0.00 0.04 0.00 0.41 -2.65 0.00 0.00 178.83 176.63 1xku n GLY 169 N -1.27 -0.85 3.36 2.39 0.00 -1.26 -4.45 105.19 103.11 1xku n GLY 169 Ca -0.03 -0.05 -0.46 0.00 0.00 0.00 0.00 46.02 45.49 1xku n GLY 169 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xku s MET 170 N -2.88 3.45 0.29 1.61 -1.94 -1.05 -3.93 119.30 114.85 1xku s MET 170 Ca 0.07 -2.05 0.26 0.00 -1.71 0.00 0.00 55.69 52.26 1xku s MET 170 Cb 0.08 -4.49 0.89 0.00 2.01 0.00 0.00 34.83 33.31 1xku s MET 170 CO 0.21 -1.44 1.76 0.87 -0.01 0.00 0.00 175.02 176.41 1xku h LYS 171 N 8.35 0.00 -0.16 2.03 6.56 -1.78 -2.65 116.57 128.93 1xku h LYS 171 Ca 0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1xku h LYS 171 Cb 1.05 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.71 1xku h LYS 171 CO 0.92 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 179.94 1xku n LYS 172 N -2.42 1.56 -1.69 3.15 5.02 -1.26 -4.72 118.16 117.80 1xku n LYS 172 Ca 0.04 -1.59 -0.44 0.00 -2.02 0.00 0.00 58.31 54.29 1xku n LYS 172 Cb 0.35 -1.27 -0.04 0.00 -0.02 0.00 0.00 35.03 34.05 1xku n LYS 172 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1xku n LEU 173 N 0.71 3.76 -0.04 -0.35 7.94 -0.94 -4.50 117.00 123.57 1xku n LEU 173 Ca 0.10 1.01 -0.05 0.00 -1.11 0.00 0.00 56.01 55.96 1xku n LEU 173 Cb 0.37 -1.50 -0.06 0.00 0.53 0.00 0.00 43.42 42.76 1xku n LEU 173 CO 0.08 0.05 -0.79 -0.24 -1.11 0.00 0.00 177.39 175.38 1xku n SER 174 N 5.14 2.96 -3.92 1.96 2.88 -0.47 -2.37 113.62 119.79 1xku n SER 174 Ca 0.18 -0.01 -0.20 0.00 -1.33 0.00 0.00 58.87 57.51 1xku n SER 174 Cb 0.34 0.52 -0.16 0.00 -0.75 0.00 0.00 64.21 64.16 1xku n SER 174 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1xku s TYR 175 N -2.21 0.81 -0.01 0.66 5.04 -0.10 -0.91 117.35 120.63 1xku s TYR 175 Ca -0.06 -0.23 0.02 0.00 -2.44 0.00 0.00 57.07 54.35 1xku s TYR 175 Cb 0.03 -0.67 0.00 0.00 0.35 0.00 0.00 41.96 41.66 1xku s TYR 175 CO 0.33 -0.17 -0.06 -1.50 -1.34 0.00 0.00 175.55 172.81 1xku s ILE 176 N 0.73 0.48 -0.09 3.14 2.07 -0.98 -1.95 121.20 124.60 1xku s ILE 176 Ca -0.10 -0.22 0.01 0.00 -1.41 0.00 0.00 60.65 58.93 1xku s ILE 176 Cb -0.13 -0.43 0.02 0.00 0.13 0.00 0.00 42.46 42.04 1xku s ILE 176 CO 0.01 0.15 -0.12 -0.60 -1.91 0.00 0.00 174.94 172.47 1xku s ARG 177 N 0.08 1.84 -0.29 3.50 3.52 -0.34 -1.14 118.95 126.11 1xku s ARG 177 Ca -0.01 -0.43 0.01 0.00 -0.13 0.00 0.00 55.73 55.18 1xku s ARG 177 Cb -0.05 -1.61 0.09 0.00 -1.56 0.00 0.00 34.95 31.81 1xku s ARG 177 CO -0.00 -0.07 0.04 0.42 -0.81 0.00 0.00 175.30 174.87 1xku s ILE 178 N 1.02 1.36 0.07 4.11 1.01 0.24 -0.10 121.20 128.92 1xku s ILE 178 Ca -0.07 -1.50 0.04 0.00 0.00 0.00 0.00 60.65 59.12 1xku s ILE 178 Cb -0.15 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1xku s ILE 178 CO -0.01 -0.45 -0.12 0.00 0.00 0.00 0.00 174.94 174.36 1xku s ALA 179 N 1.41 1.05 -1.47 9.38 0.00 -1.26 -4.11 121.76 126.76 1xku s ALA 179 Ca 0.05 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.91 1xku s ALA 179 Cb -0.18 -0.04 0.06 0.00 0.00 0.00 0.00 23.12 22.96 1xku s ALA 179 CO -0.14 0.09 0.89 -0.25 0.00 0.00 0.00 175.76 176.34 1xku n ASP 180 N 1.14 -3.66 -1.83 0.00 10.43 -0.84 0.23 116.55 122.02 1xku n ASP 180 Ca -0.20 -0.80 0.00 0.00 2.57 0.00 0.00 54.79 56.36 1xku n ASP 180 Cb 0.55 -3.90 0.00 0.00 1.84 0.00 0.00 41.12 39.61 1xku n ASP 180 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1xku n THR 181 N -4.57 0.00 0.82 -3.53 -2.24 -1.26 -3.24 114.28 100.27 1xku n THR 181 Ca -0.06 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.82 1xku n THR 181 Cb 0.57 -0.13 0.29 0.00 -2.10 0.00 0.00 70.33 68.96 1xku n THR 181 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xku n ASN 182 N -1.15 2.31 -4.76 3.42 3.02 -0.02 -4.22 115.26 113.87 1xku n ASN 182 Ca 0.00 -1.86 -0.39 0.00 -0.03 0.00 0.00 54.58 52.30 1xku n ASN 182 Cb 0.00 -0.20 0.03 0.00 -0.61 0.00 0.00 39.78 39.00 1xku n ASN 182 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1xku s ILE 183 N -1.61 2.10 0.00 2.41 -4.36 -1.09 -4.48 121.20 114.17 1xku s ILE 183 Ca 0.33 0.08 0.00 0.00 -0.26 0.00 0.00 60.65 60.80 1xku s ILE 183 Cb 0.18 -3.04 0.00 0.00 1.25 0.00 0.00 42.46 40.85 1xku s ILE 183 CO 0.26 0.00 0.00 0.35 0.24 0.00 0.00 174.94 175.79 1xku n THR 184 N -0.65 0.00 -4.03 8.37 -2.24 -1.26 -0.74 114.28 113.72 1xku n THR 184 Ca 0.08 -0.42 -0.08 0.00 -2.27 0.00 0.00 64.05 61.36 1xku n THR 184 Cb 0.44 0.97 -0.11 0.00 -2.10 0.00 0.00 70.33 69.53 1xku n THR 184 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1xku s THR 185 N -0.93 0.17 0.18 4.28 -4.23 -1.26 -2.91 115.64 110.95 1xku s THR 185 Ca 0.00 -1.30 -0.31 0.00 -1.18 0.00 0.00 61.69 58.89 1xku s THR 185 Cb 0.00 -0.81 -0.10 0.00 1.34 0.00 0.00 72.50 72.92 1xku s THR 185 CO 0.00 -0.71 1.56 -0.63 -0.54 0.00 0.00 174.62 174.30 1xku s ILE 186 N -2.52 2.57 0.28 2.99 1.01 -1.26 -4.94 121.20 119.34 1xku s ILE 186 Ca -0.06 0.42 -0.30 0.00 0.00 0.00 0.00 60.65 60.71 1xku s ILE 186 Cb -0.02 -3.27 -0.13 0.00 0.01 0.00 0.00 42.46 39.05 1xku s ILE 186 CO -0.05 0.04 1.40 -2.65 0.00 0.00 0.00 174.94 173.68 1xku n PRO 187 N 3.72 2.17 -2.57 2.79 -0.02 -1.26 -4.89 135.00 134.95 1xku n PRO 187 Ca 0.13 0.77 -0.30 0.00 -2.02 0.00 0.00 63.50 62.08 1xku n PRO 187 Cb 0.38 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.43 1xku n PRO 187 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1xku s GLN 188 N -0.94 3.69 -0.88 -0.52 -1.52 -1.26 -4.46 119.66 113.78 1xku s GLN 188 Ca 0.63 0.49 -0.05 0.00 -1.95 0.00 0.00 55.36 54.47 1xku s GLN 188 Cb -0.60 -2.31 0.01 0.00 -0.22 0.00 0.00 33.01 29.89 1xku s GLN 188 CO 0.54 -0.21 0.77 0.41 -0.25 0.00 0.00 175.29 176.55 1xku n GLY 189 N -1.88 -0.03 3.80 3.09 0.00 -1.26 -2.05 105.19 106.86 1xku n GLY 189 Ca 0.03 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1xku n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xku s LEU 190 N -5.11 4.01 0.16 0.99 1.43 -1.26 -3.98 118.68 114.93 1xku s LEU 190 Ca 0.36 1.88 -0.31 0.00 -1.03 0.00 0.00 54.13 55.02 1xku s LEU 190 Cb -0.16 -4.39 -0.09 0.00 0.03 0.00 0.00 46.19 41.58 1xku s LEU 190 CO 0.48 -0.49 1.49 -2.16 0.23 0.00 0.00 176.35 175.90 1xku s PRO 191 N -2.88 4.26 0.00 1.29 0.04 -1.26 -4.91 135.00 131.54 1xku s PRO 191 Ca 0.61 2.26 0.07 0.00 0.04 0.00 0.00 61.00 63.98 1xku s PRO 191 Cb -0.16 -3.17 0.31 0.00 0.04 0.00 0.00 34.50 31.51 1xku s PRO 191 CO 0.20 -0.52 1.18 -0.35 0.04 0.00 0.00 177.00 177.55 1xku n PRO 192 N 3.68 0.03 0.16 0.56 -0.04 -1.26 -1.71 135.00 136.42 1xku n PRO 192 Ca 0.12 0.34 0.13 0.00 -0.04 0.00 0.00 63.50 64.05 1xku n PRO 192 Cb 0.40 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.82 1xku n PRO 192 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xku h SER 193 N 0.00 0.00 -2.29 3.54 4.64 -1.85 -3.35 113.55 114.24 1xku h SER 193 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 1xku h SER 193 Cb 0.10 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.26 1xku h SER 193 CO 0.00 0.00 0.58 0.18 -0.87 0.00 0.00 176.83 176.72 1xku n LEU 194 N -2.52 2.60 -0.01 5.97 4.77 -0.69 -4.51 117.00 122.60 1xku n LEU 194 Ca 0.03 1.12 0.04 0.00 -0.03 0.00 0.00 56.01 57.18 1xku n LEU 194 Cb 0.35 -1.35 -0.09 0.00 -2.33 0.00 0.00 43.42 39.99 1xku n LEU 194 CO 0.26 -0.66 -0.66 0.35 -1.33 0.00 0.00 177.39 175.35 1xku n THR 195 N 2.33 0.09 -4.08 -5.08 -2.24 -0.09 -2.39 114.28 102.83 1xku n THR 195 Ca 0.15 -0.29 -0.20 0.00 -2.27 0.00 0.00 64.05 61.44 1xku n THR 195 Cb 0.28 0.12 -0.16 0.00 -2.10 0.00 0.00 70.33 68.46 1xku n THR 195 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xku s GLU 196 N -2.74 0.70 -0.21 -0.78 2.02 -0.50 0.05 118.70 117.25 1xku s GLU 196 Ca -0.04 -0.05 0.00 0.00 0.02 0.00 0.00 54.97 54.90 1xku s GLU 196 Cb 0.07 -0.78 0.05 0.00 0.10 0.00 0.00 34.13 33.57 1xku s GLU 196 CO 0.48 -0.11 -0.06 -1.17 0.02 0.00 0.00 175.26 174.41 1xku s LEU 197 N 1.04 2.21 -0.25 1.80 2.96 -0.69 -2.31 118.68 123.45 1xku s LEU 197 Ca -0.09 -0.98 -0.01 0.00 -0.22 0.00 0.00 54.13 52.83 1xku s LEU 197 Cb -0.14 -1.10 0.03 0.00 0.50 0.00 0.00 46.19 45.48 1xku s LEU 197 CO -0.01 -0.21 -0.08 -1.00 -1.32 0.00 0.00 176.35 173.74 1xku s HIS 198 N 1.47 3.07 -0.25 5.38 3.76 -0.29 -0.73 115.29 127.70 1xku s HIS 198 Ca -0.03 -1.68 0.19 0.00 -0.15 0.00 0.00 55.06 53.38 1xku s HIS 198 Cb -0.17 -2.03 0.49 0.00 1.11 0.00 0.00 32.58 31.97 1xku s HIS 198 CO -0.07 -0.76 1.14 1.28 -0.85 0.00 0.00 174.74 175.48 1xku n LEU 199 N 4.63 2.43 -4.77 0.89 4.32 0.69 -0.59 117.00 124.59 1xku n LEU 199 Ca -0.16 -3.42 -0.37 0.00 -0.02 0.00 0.00 56.01 52.04 1xku n LEU 199 Cb 0.46 0.20 -0.02 0.00 -1.62 0.00 0.00 43.42 42.45 1xku n LEU 199 CO 0.26 1.28 0.81 1.51 -1.22 0.00 0.00 177.39 180.02 1xku s ASP 200 N -3.59 6.29 -1.11 -1.43 -4.77 -1.22 -4.14 116.67 106.69 1xku s ASP 200 Ca 0.34 2.24 -0.02 0.00 -3.30 0.00 0.00 52.55 51.81 1xku s ASP 200 Cb 0.35 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.58 1xku s ASP 200 CO -0.03 -0.83 0.24 0.61 0.70 0.00 0.00 175.17 175.86 1xku n GLY 201 N 0.40 -0.16 0.00 2.12 0.00 0.25 -1.98 105.19 105.82 1xku n GLY 201 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1xku n GLY 201 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xku n ASN 202 N -0.93 0.00 -1.35 1.61 3.02 -1.19 -2.59 115.26 113.84 1xku n ASN 202 Ca -0.11 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.40 1xku n ASN 202 Cb 0.60 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.88 1xku n ASN 202 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1xku n LYS 203 N 0.00 1.91 -2.15 3.52 5.02 0.08 -4.50 118.16 122.04 1xku n LYS 203 Ca 0.00 -3.36 -0.41 0.00 -2.02 0.00 0.00 58.31 52.53 1xku n LYS 203 Cb 0.00 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.44 1xku n LYS 203 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1xku s ILE 204 N -3.15 2.85 -0.14 -0.18 1.01 -1.17 -4.41 121.20 116.02 1xku s ILE 204 Ca 0.40 0.81 0.05 0.00 0.00 0.00 0.00 60.65 61.91 1xku s ILE 204 Cb 0.38 -3.52 -0.07 0.00 0.01 0.00 0.00 42.46 39.26 1xku s ILE 204 CO -0.05 0.17 0.17 0.35 0.00 0.00 0.00 174.94 175.58 1xku n THR 205 N 1.31 0.00 -3.66 2.92 -2.24 -1.14 -0.24 114.28 111.23 1xku n THR 205 Ca 0.02 -0.26 -0.15 0.00 -2.27 0.00 0.00 64.05 61.39 1xku n THR 205 Cb 0.42 0.71 -0.08 0.00 -2.10 0.00 0.00 70.33 69.29 1xku n THR 205 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1xku s LYS 206 N -1.89 0.80 -0.42 -0.78 -2.85 -1.26 -1.17 119.74 112.16 1xku s LYS 206 Ca 0.00 0.22 -0.15 0.00 -1.00 0.00 0.00 55.97 55.05 1xku s LYS 206 Cb 0.04 0.37 0.04 0.00 -2.06 0.00 0.00 37.83 36.21 1xku s LYS 206 CO 0.22 -0.21 0.31 0.08 0.10 0.00 0.00 175.35 175.85 1xku s VAL 207 N -0.85 5.15 0.03 1.79 1.01 -0.55 -4.62 120.40 122.36 1xku s VAL 207 Ca -0.09 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 1xku s VAL 207 Cb -0.03 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1xku s VAL 207 CO 0.05 -0.38 0.28 1.51 0.00 0.00 0.00 175.10 176.56 1xku s ASP 208 N 1.91 6.48 0.25 3.32 -4.77 -1.26 0.39 116.67 122.99 1xku s ASP 208 Ca 0.04 0.53 -0.03 0.00 -3.30 0.00 0.00 52.55 49.79 1xku s ASP 208 Cb -0.20 -2.08 0.29 0.00 -1.09 0.00 0.00 42.92 39.84 1xku s ASP 208 CO 0.09 0.22 1.76 0.00 0.70 0.00 0.00 175.17 177.93 1xku h ALA 209 N 3.75 1.08 -0.49 2.11 0.00 -1.86 -3.08 119.26 120.77 1xku h ALA 209 Ca -0.49 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 1xku h ALA 209 Cb 1.19 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1xku h ALA 209 CO 0.68 0.59 0.25 0.00 0.00 0.00 0.00 179.25 180.77 1xku h ALA 210 N 1.23 1.52 0.00 0.00 0.00 -1.95 -2.18 119.26 117.89 1xku h ALA 210 Ca 0.17 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1xku h ALA 210 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1xku h ALA 210 CO 0.01 0.39 -0.22 0.66 0.00 0.00 0.00 179.25 180.10 1xku h SER 211 N 0.68 0.00 0.07 0.00 4.64 -1.87 -2.46 113.55 114.61 1xku h SER 211 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1xku h SER 211 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1xku h SER 211 CO -0.03 0.22 -0.19 0.18 -0.87 0.00 0.00 176.83 176.14 1xku n LEU 212 N -3.87 1.67 -4.72 5.97 4.77 -0.86 -4.68 117.00 115.27 1xku n LEU 212 Ca -0.02 -0.54 -0.43 0.00 -0.03 0.00 0.00 56.01 54.99 1xku n LEU 212 Cb 0.31 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 1xku n LEU 212 CO 0.34 0.29 1.27 1.17 -1.33 0.00 0.00 177.39 179.13 1xku n LYS 213 N 0.01 2.59 -0.73 3.23 4.81 -0.93 -2.25 118.16 124.90 1xku n LYS 213 Ca 0.14 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.51 1xku n LYS 213 Cb 0.41 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.74 1xku n LYS 213 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xku n GLY 214 N 3.12 1.29 2.51 3.14 0.00 -1.26 -4.90 105.19 109.08 1xku n GLY 214 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1xku n GLY 214 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xku n LEU 215 N 0.00 7.93 -0.08 0.99 4.77 -0.95 -4.62 117.00 125.03 1xku n LEU 215 Ca 0.00 -4.40 0.14 0.00 -0.03 0.00 0.00 56.01 51.73 1xku n LEU 215 Cb 0.00 -1.56 0.68 0.00 -2.33 0.00 0.00 43.42 40.21 1xku n LEU 215 CO 0.00 1.73 0.93 -0.46 -1.33 0.00 0.00 177.39 178.26 1xku n ASN 216 N 4.10 0.33 -0.63 -1.43 0.23 -1.26 -2.63 115.26 113.97 1xku n ASN 216 Ca 0.65 -0.52 0.10 0.00 -0.53 0.00 0.00 54.58 54.28 1xku n ASN 216 Cb 0.29 -0.12 0.04 0.00 -2.08 0.00 0.00 39.78 37.91 1xku n ASN 216 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1xku n ASN 217 N -1.02 2.27 -4.66 0.53 3.02 -1.26 -4.44 115.26 109.71 1xku n ASN 217 Ca 0.15 -1.64 -0.42 0.00 -0.03 0.00 0.00 54.58 52.64 1xku n ASN 217 Cb 0.25 0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 39.67 1xku n ASN 217 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xku s LEU 218 N -2.10 4.39 -0.19 3.41 2.96 -1.01 -4.22 118.68 121.93 1xku s LEU 218 Ca 0.20 2.50 0.08 0.00 -0.22 0.00 0.00 54.13 56.69 1xku s LEU 218 Cb 0.17 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 43.15 1xku s LEU 218 CO 0.41 -0.99 -0.07 0.00 -1.32 0.00 0.00 176.35 174.38 1xku n ALA 219 N 7.18 1.56 -2.73 5.97 0.00 0.11 -2.10 120.51 130.50 1xku n ALA 219 Ca 0.19 -1.01 -0.22 0.00 0.00 0.00 0.00 53.44 52.40 1xku n ALA 219 Cb 0.42 -0.05 -0.15 0.00 0.00 0.00 0.00 19.45 19.67 1xku n ALA 219 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1xku s LYS 220 N -2.42 1.18 -0.25 0.00 1.02 -0.37 -0.72 119.74 118.19 1xku s LYS 220 Ca -0.19 -0.47 -0.02 0.00 0.02 0.00 0.00 55.97 55.31 1xku s LYS 220 Cb 0.06 -1.11 0.08 0.00 -0.52 0.00 0.00 37.83 36.35 1xku s LYS 220 CO 0.59 0.25 0.07 -1.17 -0.92 0.00 0.00 175.35 174.16 1xku s LEU 221 N -0.15 1.52 -0.36 3.17 2.96 -0.57 -1.70 118.68 123.55 1xku s LEU 221 Ca 0.02 -1.18 -0.12 0.00 -0.22 0.00 0.00 54.13 52.63 1xku s LEU 221 Cb -0.07 -0.68 0.01 0.00 0.50 0.00 0.00 46.19 45.95 1xku s LEU 221 CO 0.00 -0.36 0.22 -0.83 -1.32 0.00 0.00 176.35 174.06 1xku s GLY 222 N 1.79 1.94 -0.09 7.98 0.00 0.09 -1.84 107.32 117.19 1xku s GLY 222 Ca 0.04 -1.57 0.12 0.00 0.00 0.00 0.00 44.72 43.31 1xku s GLY 222 CO -0.18 0.81 1.10 1.04 0.00 0.00 0.00 173.10 175.88 1xku n LEU 223 N 5.05 1.54 -4.74 0.66 4.77 -0.07 -0.22 117.00 123.98 1xku n LEU 223 Ca -0.12 -2.39 -0.35 0.00 -0.03 0.00 0.00 56.01 53.12 1xku n LEU 223 Cb 0.48 -0.28 0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1xku n LEU 223 CO 0.37 0.57 0.82 -0.94 -1.33 0.00 0.00 177.39 176.88 1xku s SER 224 N -2.23 4.85 -1.24 -1.43 1.04 -1.06 -3.92 113.70 109.71 1xku s SER 224 Ca 0.21 2.34 -0.00 0.00 0.48 0.00 0.00 55.95 58.98 1xku s SER 224 Cb 0.19 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.72 1xku s SER 224 CO 0.01 -1.82 0.93 0.49 0.98 0.00 0.00 173.24 173.83 1xku n PHE 225 N -2.05 -2.14 -3.06 5.02 3.72 -0.81 -0.59 117.46 117.55 1xku n PHE 225 Ca 0.13 0.92 0.00 0.00 -0.05 0.00 0.00 57.45 58.45 1xku n PHE 225 Cb 0.50 -4.89 0.00 0.00 -0.94 0.00 0.00 39.48 34.15 1xku n PHE 225 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1xku n ASN 226 N -3.10 1.83 -2.00 4.37 3.02 -1.12 -2.58 115.26 115.68 1xku n ASN 226 Ca -0.28 -0.14 -0.24 0.00 -0.03 0.00 0.00 54.58 53.88 1xku n ASN 226 Cb 0.67 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.88 1xku n ASN 226 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1xku n SER 227 N -0.17 5.23 -4.69 6.41 7.64 0.66 -4.38 113.62 124.32 1xku n SER 227 Ca 0.00 -3.76 -0.42 0.00 1.01 0.00 0.00 58.87 55.69 1xku n SER 227 Cb 0.00 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.70 1xku n SER 227 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1xku s ILE 228 N -4.54 3.65 -0.33 0.44 1.01 -0.87 -4.35 121.20 116.21 1xku s ILE 228 Ca 0.53 1.08 0.10 0.00 0.00 0.00 0.00 60.65 62.36 1xku s ILE 228 Cb 0.43 -3.69 -0.13 0.00 0.01 0.00 0.00 42.46 39.08 1xku s ILE 228 CO 0.03 0.02 0.37 -1.54 0.00 0.00 0.00 174.94 173.81 1xku n SER 229 N 5.02 1.19 -3.73 3.58 3.41 -0.32 -0.56 113.62 122.21 1xku n SER 229 Ca 0.13 -0.49 -0.13 0.00 -0.26 0.00 0.00 58.87 58.11 1xku n SER 229 Cb 0.43 1.16 -0.09 0.00 -0.26 0.00 0.00 64.21 65.45 1xku n SER 229 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xku s ALA 230 N -2.23 -0.99 -0.24 7.33 0.00 -1.25 -4.15 121.76 120.23 1xku s ALA 230 Ca 0.01 0.91 -0.00 0.00 0.00 0.00 0.00 51.96 52.88 1xku s ALA 230 Cb 0.07 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.82 1xku s ALA 230 CO 0.43 -0.22 -0.09 0.08 0.00 0.00 0.00 175.76 175.96 1xku s VAL 231 N -0.34 2.65 0.26 0.00 1.01 -1.26 -1.49 120.40 121.23 1xku s VAL 231 Ca -0.05 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.51 1xku s VAL 231 Cb -0.03 -2.35 -0.14 0.00 0.00 0.00 0.00 36.38 33.86 1xku s VAL 231 CO 0.02 0.20 1.24 0.47 0.00 0.00 0.00 175.10 177.03 1xku n ASP 232 N 4.62 2.12 -4.70 3.32 8.00 0.16 -4.59 116.55 125.49 1xku n ASP 232 Ca -0.17 1.16 -0.39 0.00 0.71 0.00 0.00 54.79 56.10 1xku n ASP 232 Cb 0.47 -1.36 0.03 0.00 -0.02 0.00 0.00 41.12 40.23 1xku n ASP 232 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xku n ASN 233 N 1.62 2.19 0.00 -2.24 3.02 -1.26 -2.21 115.26 116.38 1xku n ASN 233 Ca 0.10 1.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.65 1xku n ASN 233 Cb 0.31 -1.50 0.00 0.00 -0.61 0.00 0.00 39.78 37.98 1xku n ASN 233 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xku n GLY 234 N 0.90 2.39 0.33 7.41 0.00 -1.26 -4.78 105.19 110.18 1xku n GLY 234 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 1xku n GLY 234 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xku h SER 235 N 0.00 -0.81 1.05 1.61 0.02 -1.77 -2.97 113.55 110.68 1xku h SER 235 Ca 0.00 0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1xku h SER 235 Cb 0.00 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1xku h SER 235 CO 0.00 -0.43 -0.40 -0.07 -1.14 0.00 0.00 176.83 174.79 1xku h LEU 236 N -0.63 0.00 -1.88 5.07 4.07 -1.84 -2.75 115.31 117.34 1xku h LEU 236 Ca -0.01 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.92 1xku h LEU 236 Cb 0.58 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.32 1xku h LEU 236 CO -0.06 0.40 -0.12 0.00 -1.08 0.00 0.00 178.44 177.57 1xku h ALA 237 N 1.60 1.30 0.00 1.53 0.00 -1.87 -1.63 119.26 120.19 1xku h ALA 237 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xku h ALA 237 Cb 1.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1xku h ALA 237 CO 0.05 0.15 0.00 -0.91 0.00 0.00 0.00 179.25 178.55 1xku h ASN 238 N 0.00 0.00 -2.36 0.00 2.35 -1.33 -3.28 115.58 110.96 1xku h ASN 238 Ca -0.00 0.00 -0.65 0.00 -0.55 0.00 0.00 56.30 55.10 1xku h ASN 238 Cb 0.34 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 38.33 1xku h ASN 238 CO 0.02 0.00 -0.25 0.35 -1.65 0.00 0.00 177.43 175.89 1xku n THR 239 N -2.56 3.12 0.32 2.81 -2.24 -0.61 -3.60 114.28 111.52 1xku n THR 239 Ca 0.02 -5.41 0.20 0.00 -2.27 0.00 0.00 64.05 56.59 1xku n THR 239 Cb 0.31 -2.08 1.08 0.00 -2.10 0.00 0.00 70.33 67.54 1xku n THR 239 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1xku h PRO 240 N 4.45 0.00 -0.41 -0.78 0.13 -1.65 -2.06 132.00 131.68 1xku h PRO 240 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1xku h PRO 240 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1xku h PRO 240 CO 0.96 0.01 0.00 0.72 -0.23 0.00 0.00 178.00 179.46 1xku n HIS 241 N -3.33 0.77 -1.73 1.56 8.25 -1.26 -4.18 115.22 115.31 1xku n HIS 241 Ca -0.03 -0.60 -0.42 0.00 -0.26 0.00 0.00 57.72 56.42 1xku n HIS 241 Cb 0.10 -0.12 -0.02 0.00 1.12 0.00 0.00 29.99 31.07 1xku n HIS 241 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1xku n LEU 242 N 0.50 4.11 -0.04 2.41 7.94 -0.78 -4.48 117.00 126.66 1xku n LEU 242 Ca 0.17 1.11 -0.05 0.00 -1.11 0.00 0.00 56.01 56.13 1xku n LEU 242 Cb 0.61 -1.57 -0.06 0.00 0.53 0.00 0.00 43.42 42.93 1xku n LEU 242 CO 0.13 0.12 -0.78 -1.14 -1.11 0.00 0.00 177.39 174.60 1xku n ARG 243 N 2.93 2.08 -4.45 1.96 0.63 0.10 -1.71 116.66 118.20 1xku n ARG 243 Ca 0.12 0.01 -0.24 0.00 -0.92 0.00 0.00 57.85 56.82 1xku n ARG 243 Cb 0.35 -1.21 -0.17 0.00 0.45 0.00 0.00 32.46 31.89 1xku n ARG 243 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1xku s GLU 244 N -2.20 1.58 -0.19 -0.14 2.02 -0.57 -0.57 118.70 118.63 1xku s GLU 244 Ca -0.06 -0.36 -0.02 0.00 0.02 0.00 0.00 54.97 54.55 1xku s GLU 244 Cb 0.03 -1.37 0.06 0.00 0.10 0.00 0.00 34.13 32.94 1xku s GLU 244 CO 0.31 -0.02 0.00 -1.17 0.02 0.00 0.00 175.26 174.40 1xku s LEU 245 N 0.83 1.46 -0.35 1.80 2.96 0.91 -1.51 118.68 124.78 1xku s LEU 245 Ca -0.12 -0.82 -0.10 0.00 -0.22 0.00 0.00 54.13 52.87 1xku s LEU 245 Cb -0.15 -0.74 0.02 0.00 0.50 0.00 0.00 46.19 45.82 1xku s LEU 245 CO 0.02 -0.27 0.18 -1.00 -1.32 0.00 0.00 176.35 173.96 1xku s HIS 246 N 1.75 3.22 -0.05 5.38 3.76 -0.76 -0.81 115.29 127.77 1xku s HIS 246 Ca -0.01 -0.87 0.07 0.00 -0.15 0.00 0.00 55.06 54.10 1xku s HIS 246 Cb -0.17 -2.40 0.10 0.00 1.11 0.00 0.00 32.58 31.23 1xku s HIS 246 CO -0.07 -0.59 0.98 1.28 -0.85 0.00 0.00 174.74 175.48 1xku n LEU 247 N 4.98 1.48 -4.70 0.89 4.77 0.40 -0.89 117.00 123.93 1xku n LEU 247 Ca -0.13 -1.91 -0.33 0.00 -0.03 0.00 0.00 56.01 53.62 1xku n LEU 247 Cb 0.47 -0.15 0.13 0.00 -2.33 0.00 0.00 43.42 41.53 1xku n LEU 247 CO 0.35 0.45 0.76 0.54 -1.33 0.00 0.00 177.39 178.17 1xku s ASN 248 N -1.51 3.64 -0.98 -1.43 4.22 -0.77 -4.06 114.94 114.04 1xku s ASN 248 Ca 0.11 2.33 -0.02 0.00 -2.14 0.00 0.00 52.86 53.14 1xku s ASN 248 Cb 0.10 -2.58 -0.03 0.00 1.28 0.00 0.00 41.25 40.02 1xku s ASN 248 CO 0.01 -2.64 0.83 0.59 -2.04 0.00 0.00 177.10 173.86 1xku n ASN 249 N -3.32 -3.95 0.00 3.54 4.13 -0.41 -1.93 115.26 113.33 1xku n ASN 249 Ca 0.13 -0.58 0.00 0.00 1.68 0.00 0.00 54.58 55.82 1xku n ASN 249 Cb 0.51 -4.55 0.00 0.00 -1.54 0.00 0.00 39.78 34.19 1xku n ASN 249 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1xku n ASN 250 N -2.92 0.47 -1.17 6.41 3.02 -0.93 -2.68 115.26 117.45 1xku n ASN 250 Ca -0.16 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.38 1xku n ASN 250 Cb 0.63 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.93 1xku n ASN 250 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1xku n LYS 251 N 0.00 1.75 -2.03 3.52 5.02 0.28 -4.41 118.16 122.30 1xku n LYS 251 Ca 0.00 -3.28 -0.41 0.00 -2.02 0.00 0.00 58.31 52.60 1xku n LYS 251 Cb 0.00 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.51 1xku n LYS 251 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xku s LEU 252 N -2.81 4.40 -0.02 -0.35 1.43 -0.99 -4.38 118.68 115.95 1xku s LEU 252 Ca 0.39 2.77 0.17 0.00 -1.03 0.00 0.00 54.13 56.43 1xku s LEU 252 Cb 0.38 -3.65 -0.25 0.00 0.03 0.00 0.00 46.19 42.70 1xku s LEU 252 CO -0.06 -0.64 0.40 1.33 0.23 0.00 0.00 176.35 177.61 1xku n VAL 253 N 0.94 0.00 -4.03 -1.59 0.24 -1.26 0.69 118.33 113.32 1xku n VAL 253 Ca 0.01 -0.35 -0.08 0.00 -2.04 0.00 0.00 64.34 61.87 1xku n VAL 253 Cb 0.41 0.21 -0.09 0.00 -1.47 0.00 0.00 33.84 32.89 1xku n VAL 253 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1xku s LYS 254 N -3.09 0.79 0.33 7.34 -2.85 -1.26 -3.26 119.74 117.73 1xku s LYS 254 Ca -0.05 -1.19 -0.29 0.00 -1.00 0.00 0.00 55.97 53.43 1xku s LYS 254 Cb 0.11 0.27 -0.11 0.00 -2.06 0.00 0.00 37.83 36.03 1xku s LYS 254 CO 0.69 -0.21 1.55 0.14 0.10 0.00 0.00 175.35 177.62 1xku s VAL 255 N -3.94 2.07 0.28 1.79 -7.23 -1.26 -4.93 120.40 107.18 1xku s VAL 255 Ca 0.11 0.06 -0.30 0.00 -1.81 0.00 0.00 61.98 60.04 1xku s VAL 255 Cb 0.07 -3.04 -0.14 0.00 0.56 0.00 0.00 36.38 33.83 1xku s VAL 255 CO -0.07 0.01 1.22 -0.81 -0.31 0.00 0.00 175.10 175.14 1xku n PRO 256 N 1.49 1.74 -1.13 4.82 -0.04 -1.26 -4.95 135.00 135.66 1xku n PRO 256 Ca 0.05 0.61 -0.32 0.00 -0.04 0.00 0.00 63.50 63.80 1xku n PRO 256 Cb 0.38 -2.14 0.12 0.00 -0.04 0.00 0.00 33.50 31.82 1xku n PRO 256 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1xku s GLY 257 N -0.18 1.90 0.00 0.55 0.00 -1.26 -4.16 107.32 104.17 1xku s GLY 257 Ca 0.62 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.92 1xku s GLY 257 CO 0.57 0.96 0.00 0.61 0.00 0.00 0.00 173.10 175.24 1xku n GLY 258 N -0.19 0.92 0.22 0.20 0.00 -1.26 -4.71 105.19 100.36 1xku n GLY 258 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 1xku n GLY 258 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xku h LEU 259 N 0.00 0.70 -0.47 0.99 3.38 -1.76 -1.71 115.31 116.44 1xku h LEU 259 Ca 0.00 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.72 1xku h LEU 259 Cb 0.00 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1xku h LEU 259 CO 0.00 0.84 0.19 0.00 0.09 0.00 0.00 178.44 179.55 1xku h ALA 260 N 0.89 0.58 0.00 1.53 0.00 -1.69 -2.55 119.26 118.02 1xku h ALA 260 Ca 0.11 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xku h ALA 260 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xku h ALA 260 CO 0.02 -0.19 -0.05 -0.44 0.00 0.00 0.00 179.25 178.59 1xku h ASP 261 N 0.38 0.00 -3.56 0.00 3.32 -1.88 -3.34 116.42 111.33 1xku h ASP 261 Ca 0.22 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.74 1xku h ASP 261 Cb 0.19 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.79 1xku h ASP 261 CO -0.20 0.05 0.66 -2.28 -1.72 0.00 0.00 179.24 175.75 1xku s HIS 262 N -3.40 3.15 -0.69 4.55 2.46 -0.65 -4.96 115.29 115.76 1xku s HIS 262 Ca 0.04 1.26 0.22 0.00 0.47 0.00 0.00 55.06 57.06 1xku s HIS 262 Cb 0.07 -3.66 -0.07 0.00 -0.13 0.00 0.00 32.58 28.79 1xku s HIS 262 CO 0.63 -1.98 0.93 1.63 -2.47 0.00 0.00 174.74 173.48 1xku n LYS 263 N 1.90 0.22 -0.01 2.88 5.02 -1.26 -4.63 118.16 122.27 1xku n LYS 263 Ca 0.04 -0.03 0.01 0.00 -2.02 0.00 0.00 58.31 56.31 1xku n LYS 263 Cb 0.42 -1.54 -0.05 0.00 -0.02 0.00 0.00 35.03 33.84 1xku n LYS 263 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1xku n TYR 264 N -1.81 0.00 -1.68 2.13 4.02 -1.26 -0.20 117.16 118.36 1xku n TYR 264 Ca 0.02 0.00 -0.46 0.00 -0.01 0.00 0.00 57.90 57.46 1xku n TYR 264 Cb 0.41 -0.20 -0.04 0.00 -0.02 0.00 0.00 39.34 39.50 1xku n TYR 264 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 176.86 177.36 1xku n ILE 265 N -1.89 0.17 0.00 -0.72 0.13 -0.69 -4.29 119.36 112.07 1xku n ILE 265 Ca -0.04 -0.03 0.00 0.00 -1.10 0.00 0.00 62.75 61.58 1xku n ILE 265 Cb 0.34 -1.73 0.00 0.00 -0.84 0.00 0.00 39.64 37.41 1xku n ILE 265 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1xku n GLN 266 N 4.42 2.26 -3.92 9.51 6.02 0.26 -4.52 117.38 131.41 1xku n GLN 266 Ca 0.18 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.89 1xku n GLN 266 Cb 0.31 -0.94 -0.17 0.00 1.02 0.00 0.00 30.24 30.46 1xku n GLN 266 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1xku s VAL 267 N -1.84 1.16 -0.22 5.09 1.01 -0.10 0.11 120.40 125.62 1xku s VAL 267 Ca 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 1xku s VAL 267 Cb 0.00 -1.24 0.07 0.00 0.00 0.00 0.00 36.38 35.21 1xku s VAL 267 CO 0.00 0.26 0.05 -0.69 0.00 0.00 0.00 175.10 174.73 1xku s VAL 268 N 1.63 0.54 -0.30 2.92 1.01 0.09 -0.06 120.40 126.23 1xku s VAL 268 Ca 0.03 -0.73 -0.15 0.00 0.00 0.00 0.00 61.98 61.12 1xku s VAL 268 Cb -0.14 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1xku s VAL 268 CO -0.08 -0.34 0.37 -0.31 0.00 0.00 0.00 175.10 174.74 1xku s TYR 269 N 1.83 3.23 -0.02 5.22 4.12 0.01 -2.05 117.35 129.69 1xku s TYR 269 Ca 0.02 0.27 0.03 0.00 0.02 0.00 0.00 57.07 57.40 1xku s TYR 269 Cb -0.17 -2.62 0.04 0.00 -1.52 0.00 0.00 41.96 37.69 1xku s TYR 269 CO -0.14 -0.30 0.84 1.28 0.02 0.00 0.00 175.55 177.24 1xku n LEU 270 N 5.37 1.01 -4.74 -1.29 4.77 -0.50 -0.45 117.00 121.17 1xku n LEU 270 Ca -0.09 -1.26 -0.33 0.00 -0.03 0.00 0.00 56.01 54.31 1xku n LEU 270 Cb 0.50 -0.06 0.09 0.00 -2.33 0.00 0.00 43.42 41.62 1xku n LEU 270 CO 0.38 0.31 0.74 -1.38 -1.33 0.00 0.00 177.39 176.11 1xku s HIS 271 N -0.74 2.30 -1.06 -1.77 -3.43 -1.15 -3.87 115.29 105.57 1xku s HIS 271 Ca 0.04 1.60 -0.10 0.00 -0.80 0.00 0.00 55.06 55.80 1xku s HIS 271 Cb 0.04 -3.26 -0.05 0.00 -1.43 0.00 0.00 32.58 27.88 1xku s HIS 271 CO 0.00 -2.15 0.87 0.09 -2.00 0.00 0.00 174.74 171.55 1xku n ASN 272 N -3.00 -6.30 -0.71 7.38 4.13 -0.98 -1.55 115.26 114.24 1xku n ASN 272 Ca 0.11 -0.77 0.00 0.00 1.68 0.00 0.00 54.58 55.60 1xku n ASN 272 Cb 0.52 -4.61 0.00 0.00 -1.54 0.00 0.00 39.78 34.15 1xku n ASN 272 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1xku n ASN 273 N -2.97 0.68 -1.46 6.41 3.02 -1.13 -1.28 115.26 118.53 1xku n ASN 273 Ca -0.08 -0.53 -0.12 0.00 -0.03 0.00 0.00 54.58 53.83 1xku n ASN 273 Cb 0.60 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.90 1xku n ASN 273 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1xku n ASN 274 N -1.22 3.67 -4.63 6.41 5.15 0.22 -4.45 115.26 120.41 1xku n ASN 274 Ca 0.00 -3.81 -0.43 0.00 -0.60 0.00 0.00 54.58 49.74 1xku n ASN 274 Cb 0.00 -0.54 -0.02 0.00 -0.53 0.00 0.00 39.78 38.69 1xku n ASN 274 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1xku s ILE 275 N -3.88 4.36 -1.23 -1.44 1.01 -0.86 -4.17 121.20 114.98 1xku s ILE 275 Ca 0.47 1.52 0.21 0.00 0.00 0.00 0.00 60.65 62.86 1xku s ILE 275 Cb 0.41 -4.40 -0.18 0.00 0.01 0.00 0.00 42.46 38.30 1xku s ILE 275 CO -0.00 -0.60 0.93 -1.54 0.00 0.00 0.00 174.94 173.73 1xku n SER 276 N 7.27 1.23 -3.66 3.58 3.41 -1.20 -0.99 113.62 123.26 1xku n SER 276 Ca 0.13 -1.12 -0.15 0.00 -0.26 0.00 0.00 58.87 57.47 1xku n SER 276 Cb 0.47 0.88 -0.08 0.00 -0.26 0.00 0.00 64.21 65.22 1xku n SER 276 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xku s ALA 277 N -2.85 -1.22 -0.14 7.33 0.00 -1.26 -4.27 121.76 119.34 1xku s ALA 277 Ca 0.10 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1xku s ALA 277 Cb 0.16 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.18 1xku s ALA 277 CO 0.79 -0.29 -0.12 0.42 0.00 0.00 0.00 175.76 176.56 1xku s ILE 278 N -0.96 1.38 0.68 0.00 1.01 -1.26 -4.66 121.20 117.39 1xku s ILE 278 Ca -0.10 -0.53 -0.09 0.00 0.00 0.00 0.00 60.65 59.93 1xku s ILE 278 Cb -0.03 -1.34 0.03 0.00 0.01 0.00 0.00 42.46 41.13 1xku s ILE 278 CO 0.06 0.41 1.02 -0.83 0.00 0.00 0.00 174.94 175.60 1xku s GLY 279 N 1.56 1.63 0.45 6.18 0.00 -1.26 -4.71 107.32 111.16 1xku s GLY 279 Ca 0.05 -0.63 0.25 0.00 0.00 0.00 0.00 44.72 44.39 1xku s GLY 279 CO -0.10 -0.27 1.81 1.48 0.00 0.00 0.00 173.10 176.02 1xku h SER 280 N -0.53 0.00 -0.52 1.64 4.64 -1.96 -2.90 113.55 113.92 1xku h SER 280 Ca -0.45 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.53 1xku h SER 280 Cb 1.28 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.14 1xku h SER 280 CO 0.62 0.19 -0.25 0.59 -0.87 0.00 0.00 176.83 177.12 1xku n ASN 281 N -3.31 3.82 0.13 4.97 3.02 -1.26 -4.34 115.26 118.29 1xku n ASN 281 Ca 0.01 -3.80 -0.02 0.00 -0.03 0.00 0.00 54.58 50.74 1xku n ASN 281 Cb 0.44 -0.57 0.14 0.00 -0.61 0.00 0.00 39.78 39.18 1xku n ASN 281 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1xku h ASP 282 N 1.50 0.01 0.00 6.41 5.19 -1.84 -3.40 116.42 124.30 1xku h ASP 282 Ca 0.30 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.69 1xku h ASP 282 Cb 1.44 -0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.95 1xku h ASP 282 CO 0.62 0.66 -1.03 0.49 -3.12 0.00 0.00 179.24 176.86 1xku n PHE 283 N -3.77 0.00 -4.68 4.55 3.01 -1.26 -4.02 117.46 111.29 1xku n PHE 283 Ca -0.01 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.11 1xku n PHE 283 Cb 0.65 -0.02 -0.12 0.00 -0.01 0.00 0.00 39.48 39.98 1xku n PHE 283 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xku s PRO 285 N -0.67 2.14 0.37 0.00 0.04 -1.26 -4.31 135.00 131.32 1xku s PRO 285 Ca 0.10 1.31 0.06 0.00 0.04 0.00 0.00 61.00 62.50 1xku s PRO 285 Cb -0.11 -1.87 0.74 0.00 0.04 0.00 0.00 34.50 33.30 1xku s PRO 285 CO 0.01 -1.75 1.98 -1.35 0.04 0.00 0.00 177.00 175.94 1xku h PRO 286 N -0.99 0.72 -6.55 0.56 0.11 -1.94 -3.41 132.00 120.49 1xku h PRO 286 Ca -0.44 -0.04 -0.68 0.00 0.11 0.00 0.00 66.00 64.94 1xku h PRO 286 Cb 1.24 -0.16 -0.21 0.00 0.11 0.00 0.00 31.00 31.98 1xku h PRO 286 CO 0.50 0.48 -0.79 0.20 -0.21 0.00 0.00 178.00 178.17 1xku s GLY 287 N -3.57 1.60 -0.03 -0.55 0.00 -1.26 -5.04 107.32 98.47 1xku s GLY 287 Ca -0.10 -1.18 -0.36 0.00 0.00 0.00 0.00 44.72 43.09 1xku s GLY 287 CO 0.76 -1.08 1.69 -1.72 0.00 0.00 0.00 173.10 172.76 1xku n TYR 288 N 1.50 2.15 -3.70 1.90 4.01 -1.26 -4.92 117.16 116.83 1xku n TYR 288 Ca -0.16 0.26 -0.38 0.00 -0.16 0.00 0.00 57.90 57.46 1xku n TYR 288 Cb 0.52 -2.55 -0.11 0.00 -0.31 0.00 0.00 39.34 36.90 1xku n TYR 288 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1xku s ASN 289 N 2.58 5.41 0.66 7.72 2.47 -1.26 -4.98 114.94 127.54 1xku s ASN 289 Ca 0.89 -1.77 0.40 0.00 0.42 0.00 0.00 52.86 52.80 1xku s ASN 289 Cb -0.80 -1.90 2.18 0.00 -1.45 0.00 0.00 41.25 39.28 1xku s ASN 289 CO 0.50 -0.54 2.25 0.71 -3.72 0.00 0.00 177.10 176.30 1xku h THR 290 N 6.25 0.05 0.00 -5.21 1.35 -2.03 -1.91 112.91 111.41 1xku h THR 290 Ca -0.18 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1xku h THR 290 Cb 1.06 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1xku h THR 290 CO 0.73 0.00 -0.19 0.29 -0.25 0.00 0.00 175.52 176.10 1xku n LYS 291 N -3.11 0.18 -3.05 4.72 4.76 -1.26 -4.83 118.16 115.56 1xku n LYS 291 Ca -0.02 0.11 -0.40 0.00 -2.87 0.00 0.00 58.31 55.13 1xku n LYS 291 Cb 0.16 -1.68 -0.05 0.00 -1.84 0.00 0.00 35.03 31.62 1xku n LYS 291 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1xku s LYS 292 N -3.08 4.30 0.54 1.97 2.20 -0.72 -4.84 119.74 120.11 1xku s LYS 292 Ca 0.11 0.78 -0.22 0.00 -0.36 0.00 0.00 55.97 56.28 1xku s LYS 292 Cb 0.15 -3.53 -0.05 0.00 -1.51 0.00 0.00 37.83 32.88 1xku s LYS 292 CO 0.62 -0.16 1.33 0.00 -0.36 0.00 0.00 175.35 176.78 1xku s ALA 293 N 1.61 2.83 0.17 3.13 0.00 0.72 -4.97 121.76 125.24 1xku s ALA 293 Ca 0.33 1.27 -0.30 0.00 0.00 0.00 0.00 51.96 53.27 1xku s ALA 293 Cb -0.16 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.34 1xku s ALA 293 CO 0.13 -1.28 1.01 0.45 0.00 0.00 0.00 175.76 176.06 1xku s SER 294 N -1.03 7.45 0.21 0.00 0.15 -1.26 -4.84 113.70 114.38 1xku s SER 294 Ca 0.71 1.94 -0.31 0.00 0.70 0.00 0.00 55.95 58.99 1xku s SER 294 Cb -0.39 -2.60 -0.11 0.00 -1.71 0.00 0.00 66.02 61.22 1xku s SER 294 CO 0.46 -0.06 1.61 -0.31 1.20 0.00 0.00 173.24 176.13 1xku s TYR 295 N -0.40 2.95 -0.04 3.44 2.02 -1.26 -4.66 117.35 119.39 1xku s TYR 295 Ca 0.46 0.62 0.15 0.00 -0.37 0.00 0.00 57.07 57.93 1xku s TYR 295 Cb -0.26 -4.01 -0.23 0.00 -0.40 0.00 0.00 41.96 37.06 1xku s TYR 295 CO 0.32 -3.64 0.34 -1.13 -1.57 0.00 0.00 175.55 169.87 1xku n SER 296 N 3.44 1.58 -3.65 2.29 3.41 0.12 -4.82 113.62 115.99 1xku n SER 296 Ca 0.13 -0.03 -0.04 0.00 -0.26 0.00 0.00 58.87 58.67 1xku n SER 296 Cb 0.37 1.65 -0.06 0.00 -0.26 0.00 0.00 64.21 65.92 1xku n SER 296 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1xku s GLY 297 N -3.65 -0.65 -0.08 5.00 0.00 -0.98 -4.42 107.32 102.55 1xku s GLY 297 Ca -0.05 2.25 -0.01 0.00 0.00 0.00 0.00 44.72 46.91 1xku s GLY 297 CO 0.61 2.76 -0.02 0.14 0.00 0.00 0.00 173.10 176.59 1xku s VAL 298 N 2.46 0.55 -0.13 1.40 1.01 -0.30 -0.74 120.40 124.66 1xku s VAL 298 Ca -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1xku s VAL 298 Cb -0.10 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 1xku s VAL 298 CO -0.18 0.28 -0.07 -0.94 0.00 0.00 0.00 175.10 174.18 1xku s SER 299 N 1.73 4.54 0.00 3.32 1.04 -0.87 0.26 113.70 123.72 1xku s SER 299 Ca 0.02 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1xku s SER 299 Cb -0.13 -1.60 0.00 0.00 0.10 0.00 0.00 66.02 64.39 1xku s SER 299 CO -0.05 0.21 0.06 0.18 0.98 0.00 0.00 173.24 174.62 1xku n LEU 300 N 3.25 0.13 -4.50 2.42 4.77 0.41 -1.40 117.00 122.08 1xku n LEU 300 Ca -0.18 -0.15 -0.29 0.00 -0.03 0.00 0.00 56.01 55.37 1xku n LEU 300 Cb 0.53 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.86 1xku n LEU 300 CO 0.31 0.03 0.53 0.72 -1.33 0.00 0.00 177.39 177.65 1xku s PHE 301 N -0.04 1.34 -1.40 -1.77 -0.12 -1.15 -3.69 117.98 111.15 1xku s PHE 301 Ca 0.00 1.26 -0.02 0.00 -0.05 0.00 0.00 56.93 58.12 1xku s PHE 301 Cb 0.00 -3.12 0.01 0.00 -0.63 0.00 0.00 43.02 39.28 1xku s PHE 301 CO 0.00 -3.81 0.56 0.43 -0.05 0.00 0.00 175.22 172.35 1xku n SER 302 N -4.88 -0.98 -4.27 1.98 7.64 -1.26 -2.35 113.62 109.49 1xku n SER 302 Ca 0.04 -0.94 -0.15 0.00 1.01 0.00 0.00 58.87 58.83 1xku n SER 302 Cb 0.54 -3.39 -0.10 0.00 -1.01 0.00 0.00 64.21 60.25 1xku n SER 302 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1xku s ASN 303 N -4.25 1.89 0.21 6.43 0.01 -1.24 -2.31 114.94 115.68 1xku s ASN 303 Ca 0.08 -1.05 -0.09 0.00 -0.71 0.00 0.00 52.86 51.10 1xku s ASN 303 Cb -0.04 -0.02 0.26 0.00 0.41 0.00 0.00 41.25 41.85 1xku s ASN 303 CO 0.86 -0.34 1.80 -0.65 -1.51 0.00 0.00 177.10 177.26 1xku h PRO 304 N 2.70 0.66 -6.60 -0.60 0.11 -1.77 -3.44 132.00 123.07 1xku h PRO 304 Ca -0.37 -0.04 -0.59 0.00 0.11 0.00 0.00 66.00 65.11 1xku h PRO 304 Cb 1.20 -0.15 0.12 0.00 0.11 0.00 0.00 31.00 32.28 1xku h PRO 304 CO 0.64 0.43 0.25 1.33 -0.21 0.00 0.00 178.00 180.44 1xku n VAL 305 N -4.80 2.12 -4.33 3.15 0.24 -0.16 -4.96 118.33 109.60 1xku n VAL 305 Ca 0.09 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.34 61.61 1xku n VAL 305 Cb 0.19 -1.21 -0.11 0.00 -1.47 0.00 0.00 33.84 31.24 1xku n VAL 305 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1xku s GLN 306 N -1.78 1.82 0.45 7.34 -1.52 -1.26 -4.95 119.66 119.75 1xku s GLN 306 Ca 0.59 -1.32 0.25 0.00 -1.95 0.00 0.00 55.36 52.93 1xku s GLN 306 Cb -0.62 -2.05 1.27 0.00 -0.22 0.00 0.00 33.01 31.39 1xku s GLN 306 CO 0.60 0.44 1.77 0.10 -0.25 0.00 0.00 175.29 177.94 1xku h TYR 307 N 3.22 0.45 0.00 0.91 -0.00 -1.94 0.22 116.97 119.82 1xku h TYR 307 Ca -0.47 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.27 1xku h TYR 307 Cb 1.20 -0.13 0.00 0.00 0.00 0.00 0.00 36.73 37.80 1xku h TYR 307 CO 0.65 0.02 0.00 -2.67 -0.00 0.00 0.00 178.16 176.15 1xku n TRP 308 N -4.50 0.00 0.97 0.10 4.27 -1.26 -2.87 117.44 114.15 1xku n TRP 308 Ca 0.27 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.99 1xku n TRP 308 Cb 1.04 -0.34 0.07 0.00 -1.36 0.00 0.00 31.31 30.73 1xku n TRP 308 CO 0.00 0.00 0.00 0.39 -2.29 0.00 0.00 177.69 175.79 1xku n GLU 309 N -1.34 2.01 -3.34 -2.67 1.02 0.77 -4.88 120.64 112.22 1xku n GLU 309 Ca 0.11 -1.68 -0.42 0.00 -0.02 0.00 0.00 57.16 55.14 1xku n GLU 309 Cb 0.23 -1.45 -0.09 0.00 -0.02 0.00 0.00 31.44 30.11 1xku n GLU 309 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xku s ILE 310 N -2.06 5.11 0.10 -3.67 1.01 -1.14 -4.80 121.20 115.76 1xku s ILE 310 Ca 0.25 -0.19 -0.36 0.00 0.00 0.00 0.00 60.65 60.35 1xku s ILE 310 Cb 0.19 -3.97 -0.16 0.00 0.01 0.00 0.00 42.46 38.53 1xku s ILE 310 CO 0.35 -0.31 1.32 0.00 0.00 0.00 0.00 174.94 176.31 1xku n GLN 311 N 5.54 1.20 -0.20 2.79 6.02 -1.26 -4.89 117.38 126.58 1xku n GLN 311 Ca -0.08 0.43 -0.03 0.00 -0.01 0.00 0.00 57.00 57.32 1xku n GLN 311 Cb 0.48 -2.06 0.04 0.00 1.02 0.00 0.00 30.24 29.72 1xku n GLN 311 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1xku h PRO 312 N 4.43 -0.08 -0.38 -1.09 0.11 -1.96 -1.86 132.00 131.18 1xku h PRO 312 Ca -0.47 0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.76 1xku h PRO 312 Cb 1.33 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.45 1xku h PRO 312 CO 0.77 -0.05 0.61 0.66 -0.21 0.00 0.00 178.00 179.77 1xku h SER 313 N -0.08 0.00 -0.90 -2.05 4.64 -1.95 -3.06 113.55 110.14 1xku h SER 313 Ca 0.27 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.79 1xku h SER 313 Cb 0.50 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.53 1xku h SER 313 CO -0.64 0.00 0.60 0.74 -0.87 0.00 0.00 176.83 176.65 1xku h THR 314 N 0.00 0.67 -0.76 2.95 2.02 -1.53 -0.20 112.91 116.07 1xku h THR 314 Ca 0.18 -0.13 -0.48 0.00 0.77 0.00 0.00 66.41 66.75 1xku h THR 314 Cb 1.39 0.25 -0.27 0.00 -1.74 0.00 0.00 68.15 67.78 1xku h THR 314 CO -0.00 0.07 0.19 0.49 0.37 0.00 0.00 175.52 176.64 1xku n PHE 315 N -4.50 2.48 0.27 3.16 3.72 -1.16 -4.19 117.46 117.23 1xku n PHE 315 Ca 0.19 -2.24 0.12 0.00 -0.05 0.00 0.00 57.45 55.47 1xku n PHE 315 Cb 0.71 -0.85 0.75 0.00 -0.94 0.00 0.00 39.48 39.15 1xku n PHE 315 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1xku h ARG 316 N 1.57 0.00 -0.01 -1.08 0.11 -1.23 -1.94 114.38 111.80 1xku h ARG 316 Ca 0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.53 1xku h ARG 316 Cb 1.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.66 1xku h ARG 316 CO 0.98 0.09 -0.08 0.00 0.10 0.00 0.00 179.97 181.06 1xku s VAL 318 N -2.16 5.26 -0.13 0.00 1.01 -0.73 -4.62 120.40 119.03 1xku s VAL 318 Ca 0.34 0.52 0.07 0.00 0.00 0.00 0.00 61.98 62.92 1xku s VAL 318 Cb 0.20 -3.64 -0.10 0.00 0.00 0.00 0.00 36.38 32.84 1xku s VAL 318 CO 0.39 0.30 0.21 -1.22 0.00 0.00 0.00 175.10 174.79 1xku n TYR 319 N 4.27 0.00 -3.04 5.22 4.02 -1.26 -4.81 117.16 121.56 1xku n TYR 319 Ca -0.11 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.36 1xku n TYR 319 Cb 0.51 -0.10 -0.06 0.00 -0.02 0.00 0.00 39.34 39.67 1xku n TYR 319 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1xku s VAL 320 N -2.19 4.76 0.36 -0.72 1.01 -1.26 -4.96 120.40 117.40 1xku s VAL 320 Ca -0.01 0.43 0.13 0.00 0.00 0.00 0.00 61.98 62.54 1xku s VAL 320 Cb 0.05 -4.22 0.09 0.00 0.00 0.00 0.00 36.38 32.30 1xku s VAL 320 CO 0.30 -0.56 1.82 -0.09 0.00 0.00 0.00 175.10 176.57 1xku h ARG 321 N 8.77 0.00 0.00 2.72 1.12 -1.98 -2.53 114.38 122.48 1xku h ARG 321 Ca -0.25 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.62 1xku h ARG 321 Cb 1.10 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.06 1xku h ARG 321 CO 0.91 0.38 0.00 0.00 -3.11 0.00 0.00 179.97 178.14 1xku h ALA 322 N 1.62 1.00 -0.83 2.80 0.00 -1.97 -3.22 119.26 118.66 1xku h ALA 322 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1xku h ALA 322 Cb 0.68 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 1xku h ALA 322 CO 0.05 0.00 0.49 0.00 0.00 0.00 0.00 179.25 179.79 1xku h ALA 323 N 2.04 1.18 -2.59 0.00 0.00 -1.66 -3.41 119.26 114.82 1xku h ALA 323 Ca 0.00 0.02 -0.60 0.00 0.00 0.00 0.00 54.91 54.33 1xku h ALA 323 Cb 0.33 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 17.86 1xku h ALA 323 CO 0.00 0.13 0.07 0.08 0.00 0.00 0.00 179.25 179.53 1xku s VAL 324 N -6.03 5.04 -0.35 0.00 1.01 -1.22 -1.14 120.40 117.71 1xku s VAL 324 Ca -0.12 1.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.91 1xku s VAL 324 Cb 0.19 -3.90 0.08 0.00 0.00 0.00 0.00 36.38 32.75 1xku s VAL 324 CO 0.78 0.10 0.08 -1.10 0.00 0.00 0.00 175.10 174.97 1xku s GLN 325 N 2.05 2.13 0.00 2.72 -0.21 0.14 -4.96 119.66 121.53 1xku s GLN 325 Ca 0.26 -1.57 0.14 0.00 0.02 0.00 0.00 55.36 54.21 1xku s GLN 325 Cb -0.16 -3.33 0.11 0.00 1.00 0.00 0.00 33.01 30.63 1xku s GLN 325 CO 0.09 -0.84 0.94 1.28 -2.12 0.00 0.00 175.29 174.65