#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j4i s VAL 17 N 0.00 5.16 0.00 1.39 1.01 0.11 -4.18 120.40 123.89 2j4i s VAL 17 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 61.98 62.89 2j4i s VAL 17 Cb 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2j4i s VAL 17 CO 0.00 0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.96 2j4i n GLY 18 N 3.64 -0.41 7.00 4.51 0.00 -1.26 -2.03 105.19 116.63 2j4i n GLY 18 Ca -0.06 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2j4i n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j4i n GLY 19 N 0.00 -0.58 3.15 -0.02 0.00 -1.26 -4.90 105.19 101.57 2j4i n GLY 19 Ca 0.00 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 2j4i n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j4i s GLN 20 N 0.00 0.79 0.52 1.61 -1.52 -0.19 -4.97 119.66 115.90 2j4i s GLN 20 Ca 0.00 -1.32 -0.22 0.00 -1.95 0.00 0.00 55.36 51.87 2j4i s GLN 20 Cb 0.00 -0.06 -0.06 0.00 -0.22 0.00 0.00 33.01 32.67 2j4i s GLN 20 CO 0.00 -0.06 1.33 -1.21 -0.25 0.00 0.00 175.29 175.10 2j4i s GLU 21 N -3.88 3.31 -0.15 2.91 2.02 -1.26 -0.11 118.70 121.55 2j4i s GLU 21 Ca 0.12 2.17 -0.29 0.00 0.02 0.00 0.00 54.97 56.98 2j4i s GLU 21 Cb 0.06 -2.33 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 2j4i s GLU 21 CO -0.06 -1.03 1.31 0.00 0.02 0.00 0.00 175.26 175.51 2j4i s LYS 23 N 3.53 1.19 0.01 0.00 -0.14 -1.26 -4.89 119.74 118.18 2j4i s LYS 23 Ca 0.57 -0.63 -0.33 0.00 -1.36 0.00 0.00 55.97 54.21 2j4i s LYS 23 Cb -0.23 -2.05 -0.12 0.00 -1.68 0.00 0.00 37.83 33.75 2j4i s LYS 23 CO 0.17 -1.94 1.81 -3.47 -0.76 0.00 0.00 175.35 171.16 2j4i n ASP 24 N -3.34 3.52 0.00 2.83 -0.08 -1.26 -1.25 116.55 116.97 2j4i n ASP 24 Ca 0.14 0.99 0.00 0.00 -1.51 0.00 0.00 54.79 54.42 2j4i n ASP 24 Cb 0.60 -1.42 0.00 0.00 2.34 0.00 0.00 41.12 42.64 2j4i n ASP 24 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2j4i n GLY 25 N 4.16 0.65 0.19 0.27 0.00 -1.26 -4.93 105.19 104.27 2j4i n GLY 25 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.31 2j4i n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2j4i h GLU 26 N 1.90 0.00 -1.64 1.61 5.08 -1.53 -3.38 114.58 116.63 2j4i h GLU 26 Ca 0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.90 2j4i h GLU 26 Cb 0.05 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.90 2j4i h GLU 26 CO 0.00 0.15 -1.10 0.00 -1.00 0.00 0.00 179.01 177.06 2j4i h PRO 28 N 2.96 0.00 -0.04 0.00 0.13 -1.79 -2.36 132.00 130.90 2j4i h PRO 28 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2j4i h PRO 28 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2j4i h PRO 28 CO 0.56 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.66 2j4i n TRP 29 N -2.43 0.04 -2.37 1.56 2.14 -1.06 -1.55 117.44 113.77 2j4i n TRP 29 Ca 0.03 -0.02 -0.41 0.00 2.07 0.00 0.00 57.50 59.17 2j4i n TRP 29 Cb 0.30 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.77 2j4i n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2j4i s GLN 30 N -1.96 4.52 0.16 -2.67 2.00 -0.89 -0.67 119.66 120.16 2j4i s GLN 30 Ca 0.38 1.89 0.10 0.00 -2.00 0.00 0.00 55.36 55.73 2j4i s GLN 30 Cb 0.19 -3.21 -0.04 0.00 0.80 0.00 0.00 33.01 30.75 2j4i s GLN 30 CO 0.31 -0.02 -0.21 0.00 -0.50 0.00 0.00 175.29 174.87 2j4i s ALA 31 N -0.45 2.18 -0.09 1.58 0.00 -0.30 -4.40 121.76 120.28 2j4i s ALA 31 Ca 0.50 -1.51 0.02 0.00 0.00 0.00 0.00 51.96 50.98 2j4i s ALA 31 Cb -0.33 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.55 2j4i s ALA 31 CO 0.39 0.33 -0.14 -1.17 0.00 0.00 0.00 175.76 175.18 2j4i s LEU 32 N -2.53 1.67 -0.12 0.00 2.96 -0.23 -1.07 118.68 119.36 2j4i s LEU 32 Ca 0.16 -0.38 -0.18 0.00 -0.22 0.00 0.00 54.13 53.51 2j4i s LEU 32 Cb -0.07 -0.99 -0.04 0.00 0.50 0.00 0.00 46.19 45.59 2j4i s LEU 32 CO 0.07 0.02 0.47 -0.76 -1.32 0.00 0.00 176.35 174.83 2j4i s LEU 33 N 0.87 4.28 -0.01 -0.68 1.43 0.43 -0.50 118.68 124.50 2j4i s LEU 33 Ca -0.10 0.80 0.07 0.00 -1.03 0.00 0.00 54.13 53.88 2j4i s LEU 33 Cb -0.15 -2.68 -0.02 0.00 0.03 0.00 0.00 46.19 43.37 2j4i s LEU 33 CO 0.01 0.01 -0.24 0.27 0.23 0.00 0.00 176.35 176.63 2j4i s ILE 34 N 0.60 1.89 0.67 -0.59 -4.36 -0.26 -1.63 121.20 117.52 2j4i s ILE 34 Ca 0.26 -1.06 -0.11 0.00 -0.26 0.00 0.00 60.65 59.48 2j4i s ILE 34 Cb -0.15 -1.57 0.15 0.00 1.25 0.00 0.00 42.46 42.14 2j4i s ILE 34 CO 0.10 0.50 0.91 -0.46 0.24 0.00 0.00 174.94 176.23 2j4i n ASN 35 N 2.40 0.15 -0.15 4.36 0.23 -0.09 -1.80 115.26 120.37 2j4i n ASN 35 Ca -0.16 -1.38 0.25 0.00 -0.53 0.00 0.00 54.58 52.76 2j4i n ASN 35 Cb 0.52 -0.69 0.68 0.00 -2.08 0.00 0.00 39.78 38.21 2j4i n ASN 35 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2j4i h GLU 36 N 0.00 0.08 -0.51 -3.83 5.08 -1.91 0.16 114.58 113.65 2j4i h GLU 36 Ca -0.30 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2j4i h GLU 36 Cb 0.83 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2j4i h GLU 36 CO 0.22 0.05 0.00 0.39 -1.00 0.00 0.00 179.01 178.67 2j4i n GLU 37 N -4.34 2.24 -2.38 2.33 1.02 -1.26 -4.93 120.64 113.32 2j4i n GLU 37 Ca 0.17 -1.45 -0.19 0.00 -0.02 0.00 0.00 57.16 55.66 2j4i n GLU 37 Cb 0.84 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.76 2j4i n GLU 37 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2j4i n ASN 38 N 0.52 -5.59 -4.67 1.62 4.13 0.56 -4.99 115.26 106.84 2j4i n ASN 38 Ca 0.13 0.03 -0.35 0.00 1.68 0.00 0.00 54.58 56.08 2j4i n ASN 38 Cb 0.45 -4.67 -0.09 0.00 -1.54 0.00 0.00 39.78 33.93 2j4i n ASN 38 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2j4i s GLU 39 N -5.00 3.84 0.22 3.52 2.02 -1.26 -4.82 118.70 117.23 2j4i s GLU 39 Ca 0.00 -0.32 -0.30 0.00 0.02 0.00 0.00 54.97 54.37 2j4i s GLU 39 Cb 0.00 -3.18 -0.09 0.00 0.10 0.00 0.00 34.13 30.95 2j4i s GLU 39 CO 0.00 0.37 1.36 0.20 0.02 0.00 0.00 175.26 177.21 2j4i s GLY 40 N 0.10 2.41 0.00 -1.39 0.00 -1.26 -0.91 107.32 106.27 2j4i s GLY 40 Ca 0.06 1.20 0.00 0.00 0.00 0.00 0.00 44.72 45.98 2j4i s GLY 40 CO 0.01 2.15 0.00 1.97 0.00 0.00 0.00 173.10 177.23 2j4i n PHE 41 N 2.46 0.00 -3.54 1.90 1.16 -0.65 -4.94 117.46 113.84 2j4i n PHE 41 Ca 0.06 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.55 2j4i n PHE 41 Cb 0.42 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.27 2j4i n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2j4i n GLY 43 N -0.37 2.34 3.77 0.00 0.00 0.60 -0.43 105.19 111.10 2j4i n GLY 43 Ca -0.12 -2.22 -0.08 0.00 0.00 0.00 0.00 46.02 43.60 2j4i n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2j4i s GLY 44 N -3.62 -0.03 -0.11 -0.02 0.00 -0.23 -3.52 107.32 99.79 2j4i s GLY 44 Ca 0.33 -0.34 0.03 0.00 0.00 0.00 0.00 44.72 44.74 2j4i s GLY 44 CO 0.21 -0.17 -0.22 -1.59 0.00 0.00 0.00 173.10 171.33 2j4i s THR 45 N -3.92 1.98 -0.03 0.90 2.01 0.71 -1.14 115.64 116.14 2j4i s THR 45 Ca 0.12 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 60.86 2j4i s THR 45 Cb -0.05 -1.73 -0.05 0.00 0.01 0.00 0.00 72.50 70.69 2j4i s THR 45 CO 0.05 0.54 1.46 -0.63 -0.69 0.00 0.00 174.62 175.36 2j4i s ILE 46 N 0.50 3.71 -0.13 1.82 1.01 0.16 -0.39 121.20 127.89 2j4i s ILE 46 Ca -0.15 1.02 0.16 0.00 0.00 0.00 0.00 60.65 61.68 2j4i s ILE 46 Cb -0.17 -3.66 -0.24 0.00 0.01 0.00 0.00 42.46 38.40 2j4i s ILE 46 CO 0.06 -0.04 0.17 0.18 0.00 0.00 0.00 174.94 175.31 2j4i n LEU 47 N 5.99 0.00 0.00 2.97 4.77 0.08 -1.53 117.00 129.28 2j4i n LEU 47 Ca 0.14 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.12 2j4i n LEU 47 Cb 0.43 0.30 0.02 0.00 -2.33 0.00 0.00 43.42 41.84 2j4i n LEU 47 CO 0.59 0.30 0.78 -1.54 -1.33 0.00 0.00 177.39 176.19 2j4i n SER 48 N -2.49 -1.28 0.26 -1.43 3.41 -1.15 -4.71 113.62 106.21 2j4i n SER 48 Ca -0.21 -1.55 0.09 0.00 -0.26 0.00 0.00 58.87 56.94 2j4i n SER 48 Cb 0.89 2.06 0.65 0.00 -0.26 0.00 0.00 64.21 67.55 2j4i n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2j4i h GLU 49 N 0.00 0.00 0.00 4.33 4.11 -1.98 -3.06 114.58 117.98 2j4i h GLU 49 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.22 2j4i h GLU 49 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2j4i h GLU 49 CO 0.29 0.07 -0.81 1.19 0.07 0.00 0.00 179.01 179.81 2j4i n PHE 50 N -4.29 0.00 -5.04 2.06 3.72 -1.26 -0.04 117.46 112.60 2j4i n PHE 50 Ca -0.03 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.09 2j4i n PHE 50 Cb 0.15 -0.03 -0.16 0.00 -0.94 0.00 0.00 39.48 38.49 2j4i n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2j4i s TYR 51 N -2.49 2.02 -0.05 1.38 2.02 -1.16 0.17 117.35 119.23 2j4i s TYR 51 Ca 0.05 -0.54 0.06 0.00 -0.37 0.00 0.00 57.07 56.27 2j4i s TYR 51 Cb 0.11 -1.33 -0.01 0.00 -0.40 0.00 0.00 41.96 40.33 2j4i s TYR 51 CO 0.62 -0.15 -0.24 0.42 -1.57 0.00 0.00 175.55 174.64 2j4i s ILE 52 N -0.17 2.17 -0.13 2.71 -1.09 -0.46 -0.74 121.20 123.48 2j4i s ILE 52 Ca -0.01 -1.03 -0.11 0.00 -2.23 0.00 0.00 60.65 57.27 2j4i s ILE 52 Cb -0.11 -1.79 -0.05 0.00 -1.58 0.00 0.00 42.46 38.93 2j4i s ILE 52 CO 0.02 0.57 0.21 -0.22 -1.23 0.00 0.00 174.94 174.29 2j4i s LEU 53 N -0.28 4.32 0.00 2.97 2.96 0.48 -0.19 118.68 128.93 2j4i s LEU 53 Ca 0.00 0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 54.37 2j4i s LEU 53 Cb -0.13 -2.22 0.01 0.00 0.50 0.00 0.00 46.19 44.35 2j4i s LEU 53 CO 0.03 0.26 0.30 1.07 -1.32 0.00 0.00 176.35 176.69 2j4i n THR 54 N 2.76 0.00 -3.50 3.68 5.66 -0.35 -0.21 114.28 122.32 2j4i n THR 54 Ca -0.16 -0.95 -0.37 0.00 -3.05 0.00 0.00 64.05 59.51 2j4i n THR 54 Cb 0.53 0.62 -0.06 0.00 -1.55 0.00 0.00 70.33 69.87 2j4i n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2j4i s ALA 55 N -2.17 3.64 0.38 1.79 0.00 -1.26 -1.41 121.76 122.73 2j4i s ALA 55 Ca 0.16 -0.31 0.11 0.00 0.00 0.00 0.00 51.96 51.92 2j4i s ALA 55 Cb -0.01 -2.41 0.89 0.00 0.00 0.00 0.00 23.12 21.59 2j4i s ALA 55 CO 0.11 0.29 1.89 0.00 0.00 0.00 0.00 175.76 178.05 2j4i h ALA 56 N 5.66 1.92 0.00 0.00 0.00 -1.71 -2.25 119.26 122.88 2j4i h ALA 56 Ca -0.47 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 2j4i h ALA 56 Cb 1.20 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2j4i h ALA 56 CO 0.68 -0.15 -0.14 1.12 0.00 0.00 0.00 179.25 180.76 2j4i h HIS 57 N 0.60 0.00 0.00 0.00 2.07 -1.92 -1.46 115.15 114.44 2j4i h HIS 57 Ca 0.42 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.92 2j4i h HIS 57 Cb 0.75 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.73 2j4i h HIS 57 CO -0.00 0.14 -0.07 0.00 -3.07 0.00 0.00 177.93 174.93 2j4i n LEU 59 N -3.42 0.00 -0.46 0.00 4.77 -0.55 -1.79 117.00 115.55 2j4i n LEU 59 Ca -0.02 0.24 0.05 0.00 -0.03 0.00 0.00 56.01 56.25 2j4i n LEU 59 Cb 0.21 -0.24 0.09 0.00 -2.33 0.00 0.00 43.42 41.15 2j4i n LEU 59 CO 0.27 -0.09 0.52 -1.22 -1.33 0.00 0.00 177.39 175.54 2j4i n TYR 60 N -1.24 0.22 1.10 -1.77 4.02 -1.08 -4.51 117.16 113.90 2j4i n TYR 60 Ca 0.10 -0.29 0.12 0.00 -0.01 0.00 0.00 57.90 57.82 2j4i n TYR 60 Cb 0.14 -0.02 0.15 0.00 -0.02 0.00 0.00 39.34 39.59 2j4i n TYR 60 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2j4i n GLN 61 N 0.42 0.86 -3.61 -0.72 1.13 -0.74 -4.91 117.38 109.82 2j4i n GLN 61 Ca 0.08 -0.64 -0.13 0.00 -1.94 0.00 0.00 57.00 54.37 2j4i n GLN 61 Cb 0.33 -1.49 -0.07 0.00 0.11 0.00 0.00 30.24 29.12 2j4i n GLN 61 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2j4i s ALA 61 N -2.57 -1.84 -0.03 -1.58 0.00 -1.26 -5.08 121.76 109.41 2j4i s ALA 61 Ca 0.19 1.83 -0.23 0.00 0.00 0.00 0.00 51.96 53.75 2j4i s ALA 61 Cb 0.18 -0.99 -0.22 0.00 0.00 0.00 0.00 23.12 22.09 2j4i s ALA 61 CO 0.59 -0.32 1.08 0.87 0.00 0.00 0.00 175.76 177.98 2j4i h LYS 62 N 4.26 0.24 -5.68 0.00 1.57 -1.90 -3.45 116.57 111.61 2j4i h LYS 62 Ca -0.28 -0.24 -0.53 0.00 -1.87 0.00 0.00 60.65 57.74 2j4i h LYS 62 Cb 1.16 0.06 -0.27 0.00 0.08 0.00 0.00 32.23 33.26 2j4i h LYS 62 CO 0.14 0.94 -0.82 0.50 -0.57 0.00 0.00 179.45 179.64 2j4i s ARG 63 N -3.28 1.25 0.11 3.15 3.52 -1.26 -5.13 118.95 117.32 2j4i s ARG 63 Ca -0.15 -0.75 -0.20 0.00 -0.13 0.00 0.00 55.73 54.50 2j4i s ARG 63 Cb 0.02 -1.28 0.05 0.00 -1.56 0.00 0.00 34.95 32.18 2j4i s ARG 63 CO 0.76 0.33 0.50 -0.59 -0.81 0.00 0.00 175.30 175.50 2j4i s PHE 64 N -0.64 -0.38 0.41 5.12 -0.71 -1.26 -3.71 117.98 116.80 2j4i s PHE 64 Ca 0.06 0.20 0.04 0.00 -1.04 0.00 0.00 56.93 56.19 2j4i s PHE 64 Cb -0.08 0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 42.08 2j4i s PHE 64 CO 0.01 -0.73 0.06 0.15 -1.34 0.00 0.00 175.22 173.36 2j4i s LYS 65 N -3.40 1.91 -0.12 1.99 1.02 -0.74 -4.53 119.74 115.87 2j4i s LYS 65 Ca -0.00 -2.14 0.03 0.00 0.02 0.00 0.00 55.97 53.88 2j4i s LYS 65 Cb 0.00 -1.09 -0.00 0.00 -0.52 0.00 0.00 37.83 36.22 2j4i s LYS 65 CO -0.09 -0.29 -0.21 0.08 -0.92 0.00 0.00 175.35 173.92 2j4i s VAL 66 N -3.07 2.30 -0.15 3.17 1.01 0.51 -1.11 120.40 123.07 2j4i s VAL 66 Ca 0.25 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 2j4i s VAL 66 Cb 0.06 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2j4i s VAL 66 CO 0.13 0.55 0.04 -0.60 0.00 0.00 0.00 175.10 175.22 2j4i s ARG 67 N 0.49 3.66 0.22 2.72 3.52 0.35 0.59 118.95 130.50 2j4i s ARG 67 Ca -0.14 -0.36 0.10 0.00 -0.13 0.00 0.00 55.73 55.20 2j4i s ARG 67 Cb -0.17 -3.08 -0.05 0.00 -1.56 0.00 0.00 34.95 30.10 2j4i s ARG 67 CO 0.05 0.42 -0.18 0.14 -0.81 0.00 0.00 175.30 174.92 2j4i s VAL 68 N -0.05 2.07 0.00 7.11 -7.23 -0.56 -1.07 120.40 120.67 2j4i s VAL 68 Ca 0.05 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 2j4i s VAL 68 Cb -0.12 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.73 2j4i s VAL 68 CO 0.01 -0.40 0.00 0.61 -0.31 0.00 0.00 175.10 175.01 2j4i n GLY 69 N -0.20 0.68 3.74 2.32 0.00 -1.25 -2.18 105.19 108.30 2j4i n GLY 69 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 2j4i n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2j4i s ASP 70 N -2.36 6.40 -0.00 1.61 2.15 -1.26 -4.03 116.67 119.18 2j4i s ASP 70 Ca 0.00 0.47 0.01 0.00 0.43 0.00 0.00 52.55 53.46 2j4i s ASP 70 Cb 0.00 -2.16 -0.02 0.00 -0.30 0.00 0.00 42.92 40.44 2j4i s ASP 70 CO 0.00 0.14 0.02 0.54 -0.17 0.00 0.00 175.17 175.71 2j4i n ARG 71 N 3.40 0.63 -3.76 4.34 1.74 -1.26 -4.86 116.66 116.87 2j4i n ARG 71 Ca -0.13 -0.01 -0.28 0.00 -0.77 0.00 0.00 57.85 56.66 2j4i n ARG 71 Cb 0.52 -1.03 -0.16 0.00 -1.02 0.00 0.00 32.46 30.77 2j4i n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2j4i s ASN 72 N -2.30 3.01 0.02 0.55 2.47 -1.26 -0.57 114.94 116.87 2j4i s ASN 72 Ca -0.00 -0.85 0.16 0.00 0.42 0.00 0.00 52.86 52.58 2j4i s ASN 72 Cb 0.01 -0.67 0.67 0.00 -1.45 0.00 0.00 41.25 39.81 2j4i s ASN 72 CO 0.05 -0.29 1.50 0.35 -3.72 0.00 0.00 177.10 174.99 2j4i n THR 73 N 5.00 0.95 0.28 -5.21 -2.24 0.48 -3.02 114.28 110.53 2j4i n THR 73 Ca -0.09 0.24 0.12 0.00 -2.27 0.00 0.00 64.05 62.04 2j4i n THR 73 Cb 0.47 -0.99 0.11 0.00 -2.10 0.00 0.00 70.33 67.82 2j4i n THR 73 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2j4i h GLU 74 N 0.00 0.00 -6.00 -0.78 5.08 -1.96 -3.47 114.58 107.46 2j4i h GLU 74 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 2j4i h GLU 74 Cb 0.27 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.44 2j4i h GLU 74 CO 0.00 0.00 -0.53 -0.65 -1.00 0.00 0.00 179.01 176.83 2j4i s GLN 75 N -3.26 2.26 -0.01 2.33 -0.21 -1.17 -5.27 119.66 114.34 2j4i s GLN 75 Ca 0.04 -1.71 0.05 0.00 0.02 0.00 0.00 55.36 53.76 2j4i s GLN 75 Cb 0.10 -2.05 -0.03 0.00 1.00 0.00 0.00 33.01 32.02 2j4i s GLN 75 CO 0.73 -0.00 -0.17 -1.21 -2.12 0.00 0.00 175.29 172.52 2j4i s GLU 76 N -3.86 2.29 0.00 2.91 2.02 -1.26 -4.92 118.70 115.88 2j4i s GLU 76 Ca 0.39 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.55 2j4i s GLU 76 Cb 0.01 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.98 2j4i s GLU 76 CO 0.22 0.59 0.00 0.41 0.02 0.00 0.00 175.26 176.50 2j4i n GLY 79 N 2.07 0.01 3.73 -1.39 0.00 -1.26 -5.14 105.19 103.21 2j4i n GLY 79 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 2j4i n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j4i s GLU 80 N 0.00 2.05 -0.26 1.61 8.01 -1.26 -4.60 118.70 124.25 2j4i s GLU 80 Ca 0.00 1.46 -0.20 0.00 0.01 0.00 0.00 54.97 56.24 2j4i s GLU 80 Cb 0.00 -1.85 0.07 0.00 -4.31 0.00 0.00 34.13 28.04 2j4i s GLU 80 CO 0.00 -1.84 0.67 0.00 0.01 0.00 0.00 175.26 174.10 2j4i s ALA 81 N -2.48 -1.74 -0.16 5.21 0.00 -0.93 -5.00 121.76 116.67 2j4i s ALA 81 Ca 0.67 2.12 -0.06 0.00 0.00 0.00 0.00 51.96 54.69 2j4i s ALA 81 Cb -0.22 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 2j4i s ALA 81 CO 0.50 -0.34 0.04 0.08 0.00 0.00 0.00 175.76 176.04 2j4i s VAL 82 N 0.95 4.59 -0.03 0.00 1.01 -1.26 -1.50 120.40 124.15 2j4i s VAL 82 Ca -0.05 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 61.88 2j4i s VAL 82 Cb -0.05 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 2j4i s VAL 82 CO -0.08 0.50 -0.23 -1.00 0.00 0.00 0.00 175.10 174.29 2j4i s HIS 83 N 0.05 2.16 0.35 5.22 3.76 0.20 -4.96 115.29 122.07 2j4i s HIS 83 Ca 0.04 -0.51 -0.17 0.00 -0.15 0.00 0.00 55.06 54.27 2j4i s HIS 83 Cb -0.12 -1.41 -0.10 0.00 1.11 0.00 0.00 32.58 32.06 2j4i s HIS 83 CO 0.01 -0.11 0.80 -1.21 -0.85 0.00 0.00 174.74 173.38 2j4i s GLU 84 N -0.36 4.08 -0.12 1.40 2.02 -1.26 -0.36 118.70 124.10 2j4i s GLU 84 Ca 0.04 0.81 -0.20 0.00 0.02 0.00 0.00 54.97 55.64 2j4i s GLU 84 Cb -0.11 -2.38 -0.04 0.00 0.10 0.00 0.00 34.13 31.70 2j4i s GLU 84 CO 0.01 0.11 0.57 0.08 0.02 0.00 0.00 175.26 176.05 2j4i s VAL 85 N -2.02 5.12 -0.18 2.63 1.01 -1.26 -1.12 120.40 124.58 2j4i s VAL 85 Ca 0.56 1.13 -0.19 0.00 0.00 0.00 0.00 61.98 63.47 2j4i s VAL 85 Cb -0.10 -3.90 -0.21 0.00 0.00 0.00 0.00 36.38 32.16 2j4i s VAL 85 CO 0.16 0.26 0.30 -0.08 0.00 0.00 0.00 175.10 175.74 2j4i h GLU 86 N 6.90 0.06 -3.94 2.72 4.81 -0.85 -3.44 114.58 120.83 2j4i h GLU 86 Ca -0.39 -0.10 -0.35 0.00 -0.13 0.00 0.00 59.36 58.39 2j4i h GLU 86 Cb 1.18 0.04 -0.32 0.00 0.63 0.00 0.00 28.75 30.27 2j4i h GLU 86 CO 0.76 1.05 -0.75 0.08 -0.73 0.00 0.00 179.01 179.41 2j4i s VAL 87 N -2.39 0.31 -0.26 0.32 1.01 -0.96 -5.00 120.40 113.43 2j4i s VAL 87 Ca -0.27 -0.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 2j4i s VAL 87 Cb 0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 2j4i s VAL 87 CO 0.64 0.15 0.15 -0.69 0.00 0.00 0.00 175.10 175.34 2j4i s VAL 88 N 0.64 5.04 -0.38 2.92 1.01 -1.26 -0.94 120.40 127.43 2j4i s VAL 88 Ca -0.07 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 2j4i s VAL 88 Cb -0.10 -3.38 0.09 0.00 0.00 0.00 0.00 36.38 32.99 2j4i s VAL 88 CO -0.01 0.30 0.14 -0.63 0.00 0.00 0.00 175.10 174.91 2j4i s ILE 89 N 1.50 3.19 -0.10 2.22 1.01 0.48 -5.00 121.20 124.50 2j4i s ILE 89 Ca 0.07 -1.86 -0.06 0.00 0.00 0.00 0.00 60.65 58.80 2j4i s ILE 89 Cb -0.15 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 2j4i s ILE 89 CO 0.07 -0.52 0.11 -0.75 0.00 0.00 0.00 174.94 173.85 2j4i s LYS 90 N 1.17 3.33 0.05 2.79 2.20 -1.26 -0.03 119.74 127.99 2j4i s LYS 90 Ca 0.05 -0.21 -0.31 0.00 -0.36 0.00 0.00 55.97 55.14 2j4i s LYS 90 Cb -0.22 -3.09 -0.08 0.00 -1.51 0.00 0.00 37.83 32.93 2j4i s LYS 90 CO -0.03 0.76 1.63 -1.58 -0.36 0.00 0.00 175.35 175.77 2j4i s HIS 91 N -1.02 2.41 0.55 4.03 5.65 -0.89 -4.87 115.29 121.14 2j4i s HIS 91 Ca 0.15 0.35 0.40 0.00 0.25 0.00 0.00 55.06 56.21 2j4i s HIS 91 Cb -0.12 -3.93 2.19 0.00 -1.18 0.00 0.00 32.58 29.54 2j4i s HIS 91 CO 0.05 -3.75 2.23 -2.95 -0.65 0.00 0.00 174.74 169.66 2j4i h ASN 92 N 8.42 0.00 -0.31 9.88 -0.00 -1.93 -1.98 115.58 129.65 2j4i h ASN 92 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.88 2j4i h ASN 92 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.52 2j4i h ASN 92 CO 0.93 0.00 0.00 0.54 -0.00 0.00 0.00 177.43 178.90 2j4i n ARG 93 N -2.94 2.34 -1.62 4.14 1.74 -1.26 -4.96 116.66 114.09 2j4i n ARG 93 Ca -0.03 -2.01 -0.48 0.00 -0.77 0.00 0.00 57.85 54.57 2j4i n ARG 93 Cb 0.09 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.01 2j4i n ARG 93 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2j4i n PHE 94 N 1.24 1.76 -4.04 -1.55 7.35 -0.75 -4.62 117.46 116.85 2j4i n PHE 94 Ca 0.18 0.53 -0.31 0.00 -0.76 0.00 0.00 57.45 57.09 2j4i n PHE 94 Cb 0.55 -2.39 -0.16 0.00 0.35 0.00 0.00 39.48 37.83 2j4i n PHE 94 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2j4i s THR 95 N 0.22 1.81 0.25 -2.13 2.01 -0.82 -5.00 115.64 111.97 2j4i s THR 95 Ca 0.76 -1.04 -0.04 0.00 0.31 0.00 0.00 61.69 61.68 2j4i s THR 95 Cb -0.79 -1.80 0.22 0.00 0.01 0.00 0.00 72.50 70.13 2j4i s THR 95 CO 0.47 0.27 1.75 0.11 -0.69 0.00 0.00 174.62 176.53 2j4i h LYS 96 N 7.95 0.50 -0.65 4.92 1.57 -1.92 0.13 116.57 129.06 2j4i h LYS 96 Ca -0.32 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.37 2j4i h LYS 96 Cb 1.10 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 2j4i h LYS 96 CO 0.52 0.33 0.18 0.93 -0.57 0.00 0.00 179.45 180.84 2j4i h GLU 97 N 0.52 1.01 -0.00 3.15 3.07 -1.98 -3.31 114.58 117.04 2j4i h GLU 97 Ca 0.42 -0.22 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 2j4i h GLU 97 Cb 0.59 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 2j4i h GLU 97 CO -0.37 0.88 -0.13 0.25 -1.40 0.00 0.00 179.01 178.25 2j4i n THR 98 N -4.26 0.00 -2.07 1.13 -2.24 -1.15 -5.00 114.28 100.70 2j4i n THR 98 Ca 0.05 -0.44 -0.21 0.00 -2.27 0.00 0.00 64.05 61.19 2j4i n THR 98 Cb 0.23 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.45 2j4i n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2j4i n TYR 99 N -0.73 -0.58 -2.33 4.78 4.02 0.45 -4.98 117.16 117.79 2j4i n TYR 99 Ca 0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.54 2j4i n TYR 99 Cb 0.07 -3.75 -0.01 0.00 -0.02 0.00 0.00 39.34 35.63 2j4i n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2j4i s ASP 100 N -2.36 6.19 -1.39 7.72 2.15 -1.24 -2.86 116.67 124.88 2j4i s ASP 100 Ca 0.00 2.20 -0.08 0.00 0.43 0.00 0.00 52.55 55.11 2j4i s ASP 100 Cb 0.00 -2.59 0.03 0.00 -0.30 0.00 0.00 42.92 40.06 2j4i s ASP 100 CO 0.00 -0.90 1.00 0.49 -0.17 0.00 0.00 175.17 175.59 2j4i n PHE 101 N -0.63 -2.40 -2.58 -5.34 3.01 -1.26 -1.95 117.46 106.31 2j4i n PHE 101 Ca 0.08 0.93 -0.43 0.00 1.01 0.00 0.00 57.45 59.04 2j4i n PHE 101 Cb 0.49 -4.55 0.00 0.00 -0.01 0.00 0.00 39.48 35.41 2j4i n PHE 101 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2j4i n ASP 102 N -2.98 4.92 -3.70 4.37 2.03 -1.13 -4.11 116.55 115.96 2j4i n ASP 102 Ca -0.08 -2.92 -0.13 0.00 0.52 0.00 0.00 54.79 52.17 2j4i n ASP 102 Cb 0.59 -1.73 -0.09 0.00 -0.72 0.00 0.00 41.12 39.16 2j4i n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2j4i s ILE 103 N 3.98 -0.00 0.03 5.18 2.07 -1.26 -4.11 121.20 127.09 2j4i s ILE 103 Ca 0.53 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.66 2j4i s ILE 103 Cb 0.04 -0.71 0.01 0.00 0.13 0.00 0.00 42.46 41.93 2j4i s ILE 103 CO 0.07 0.00 0.23 0.00 -1.91 0.00 0.00 174.94 173.33 2j4i s ALA 104 N 0.29 -0.48 -0.06 1.50 0.00 -0.50 -2.10 121.76 120.40 2j4i s ALA 104 Ca -0.00 -0.12 0.05 0.00 0.00 0.00 0.00 51.96 51.90 2j4i s ALA 104 Cb -0.04 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 2j4i s ALA 104 CO 0.00 -0.34 -0.23 0.08 0.00 0.00 0.00 175.76 175.27 2j4i s VAL 105 N -2.25 1.91 -0.16 0.00 1.01 0.95 -1.21 120.40 120.65 2j4i s VAL 105 Ca -0.07 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 2j4i s VAL 105 Cb -0.02 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 2j4i s VAL 105 CO -0.02 0.53 -0.05 -0.76 0.00 0.00 0.00 175.10 174.81 2j4i s LEU 106 N -0.06 3.17 -0.22 3.92 1.43 0.73 -0.38 118.68 127.26 2j4i s LEU 106 Ca -0.05 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 2j4i s LEU 106 Cb -0.14 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 2j4i s LEU 106 CO 0.04 0.15 0.16 -0.60 0.23 0.00 0.00 176.35 176.33 2j4i s ARG 107 N 0.47 4.12 0.43 1.70 3.52 -0.11 -1.36 118.95 127.72 2j4i s ARG 107 Ca -0.04 -0.22 -0.09 0.00 -0.13 0.00 0.00 55.73 55.25 2j4i s ARG 107 Cb -0.14 -3.49 -0.06 0.00 -1.56 0.00 0.00 34.95 29.70 2j4i s ARG 107 CO 0.03 0.15 0.78 -0.51 -0.81 0.00 0.00 175.30 174.93 2j4i s LEU 108 N 0.80 3.76 0.19 -0.88 1.43 0.13 -0.24 118.68 123.87 2j4i s LEU 108 Ca 0.08 1.08 -0.03 0.00 -1.03 0.00 0.00 54.13 54.24 2j4i s LEU 108 Cb -0.13 -3.98 0.12 0.00 0.03 0.00 0.00 46.19 42.23 2j4i s LEU 108 CO 0.02 -0.46 1.51 0.11 0.23 0.00 0.00 176.35 177.76 2j4i h LYS 109 N 0.95 0.53 -5.67 1.70 1.57 -1.41 -3.41 116.57 110.83 2j4i h LYS 109 Ca -0.47 -0.34 -0.49 0.00 -1.87 0.00 0.00 60.65 57.49 2j4i h LYS 109 Cb 1.19 0.04 -0.23 0.00 0.08 0.00 0.00 32.23 33.31 2j4i h LYS 109 CO 0.63 0.95 -0.81 0.95 -0.57 0.00 0.00 179.45 180.60 2j4i s THR 110 N -3.97 1.35 0.49 -0.16 -4.23 -1.26 -5.03 115.64 102.84 2j4i s THR 110 Ca -0.07 -1.26 -0.21 0.00 -1.18 0.00 0.00 61.69 58.96 2j4i s THR 110 Cb 0.11 -1.24 -0.07 0.00 1.34 0.00 0.00 72.50 72.64 2j4i s THR 110 CO 0.84 -0.05 1.13 -2.16 -0.54 0.00 0.00 174.62 173.84 2j4i s PRO 111 N -1.52 3.63 0.22 3.99 0.04 -1.26 -4.87 135.00 135.22 2j4i s PRO 111 Ca 0.03 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 2j4i s PRO 111 Cb -0.09 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 2j4i s PRO 111 CO 0.02 -0.63 1.04 0.42 0.04 0.00 0.00 177.00 177.89 2j4i s ILE 112 N -1.68 3.85 -0.38 0.56 1.01 0.94 -5.01 121.20 120.50 2j4i s ILE 112 Ca 0.67 1.76 -0.21 0.00 0.00 0.00 0.00 60.65 62.87 2j4i s ILE 112 Cb -0.25 -4.12 0.01 0.00 0.01 0.00 0.00 42.46 38.11 2j4i s ILE 112 CO 0.30 0.37 0.65 -0.89 0.00 0.00 0.00 174.94 175.37 2j4i s THR 113 N -0.81 4.85 0.35 2.92 2.01 -1.26 -4.78 115.64 118.92 2j4i s THR 113 Ca 0.45 0.50 -0.27 0.00 0.31 0.00 0.00 61.69 62.68 2j4i s THR 113 Cb -0.29 -4.12 -0.09 0.00 0.01 0.00 0.00 72.50 68.01 2j4i s THR 113 CO 0.36 -0.40 1.12 -0.36 -0.69 0.00 0.00 174.62 174.65 2j4i s PHE 114 N 2.79 3.33 0.05 4.92 0.08 -1.26 -4.88 117.98 123.00 2j4i s PHE 114 Ca 0.25 1.63 -0.11 0.00 0.12 0.00 0.00 56.93 58.82 2j4i s PHE 114 Cb -0.14 -3.30 0.04 0.00 -0.57 0.00 0.00 43.02 39.04 2j4i s PHE 114 CO 0.16 -0.87 0.51 2.89 -0.10 0.00 0.00 175.22 177.81 2j4i n ARG 115 N 0.55 0.21 -1.71 0.44 1.85 -0.37 -4.99 116.66 112.64 2j4i n ARG 115 Ca 0.02 -0.54 -0.43 0.00 -1.00 0.00 0.00 57.85 55.90 2j4i n ARG 115 Cb 0.46 0.77 -0.02 0.00 -1.05 0.00 0.00 32.46 32.62 2j4i n ARG 115 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 2j4i n MET 116 N -0.36 2.35 -0.96 2.89 0.00 -1.26 -0.83 117.12 118.95 2j4i n MET 116 Ca 0.00 0.84 0.00 0.00 -0.00 0.00 0.00 57.70 58.54 2j4i n MET 116 Cb 0.26 -2.55 0.00 0.00 0.00 0.00 0.00 33.22 30.93 2j4i n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2j4i n ASN 117 N 2.17 -3.80 -3.59 6.12 3.02 -1.26 -4.97 115.26 112.95 2j4i n ASN 117 Ca 0.10 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.38 2j4i n ASN 117 Cb 0.34 -1.86 -0.16 0.00 -0.61 0.00 0.00 39.78 37.48 2j4i n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2j4i s VAL 118 N -1.66 0.00 -0.03 2.41 1.01 -0.01 -3.81 120.40 118.31 2j4i s VAL 118 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 2j4i s VAL 118 Cb 0.00 -0.84 0.07 0.00 0.00 0.00 0.00 36.38 35.61 2j4i s VAL 118 CO 0.00 -0.50 0.66 0.00 0.00 0.00 0.00 175.10 175.26 2j4i s ALA 119 N 2.08 -1.73 0.55 5.51 0.00 -0.60 -1.23 121.76 126.34 2j4i s ALA 119 Ca 0.05 1.21 -0.14 0.00 0.00 0.00 0.00 51.96 53.09 2j4i s ALA 119 Cb -0.16 0.09 -0.06 0.00 0.00 0.00 0.00 23.12 22.99 2j4i s ALA 119 CO -0.23 -0.41 0.99 -1.25 0.00 0.00 0.00 175.76 174.86 2j4i s PRO 120 N -1.46 3.81 0.32 0.00 0.04 -1.26 -2.56 135.00 133.90 2j4i s PRO 120 Ca -0.10 0.84 -0.07 0.00 0.04 0.00 0.00 61.00 61.71 2j4i s PRO 120 Cb -0.00 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 2j4i s PRO 120 CO 0.08 -0.36 0.62 0.00 0.04 0.00 0.00 177.00 177.38 2j4i s ALA 121 N -2.81 3.53 0.28 8.56 0.00 -0.59 -4.85 121.76 125.89 2j4i s ALA 121 Ca 0.57 -0.43 -0.26 0.00 0.00 0.00 0.00 51.96 51.84 2j4i s ALA 121 Cb -0.10 -2.44 -0.09 0.00 0.00 0.00 0.00 23.12 20.48 2j4i s ALA 121 CO 0.40 0.17 0.90 0.00 0.00 0.00 0.00 175.76 177.23 2j4i s LEU 123 N -1.80 4.20 0.76 0.00 1.43 -1.26 -0.85 118.68 121.15 2j4i s LEU 123 Ca 0.46 0.64 -0.07 0.00 -1.03 0.00 0.00 54.13 54.13 2j4i s LEU 123 Cb -0.20 -2.60 0.10 0.00 0.03 0.00 0.00 46.19 43.52 2j4i s LEU 123 CO 0.25 -0.06 1.07 -2.16 0.23 0.00 0.00 176.35 175.68 2j4i s PRO 124 N 1.11 1.78 0.31 1.29 0.04 -1.26 -5.00 135.00 133.27 2j4i s PRO 124 Ca 0.22 -0.46 -0.20 0.00 0.04 0.00 0.00 61.00 60.61 2j4i s PRO 124 Cb -0.15 -2.14 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 2j4i s PRO 124 CO 0.09 -1.52 0.82 -1.21 0.04 0.00 0.00 177.00 175.22 2j4i s GLU 124 N -5.35 4.23 0.08 4.56 2.02 -1.26 -4.96 118.70 118.02 2j4i s GLU 124 Ca 0.64 0.95 -0.34 0.00 0.02 0.00 0.00 54.97 56.24 2j4i s GLU 124 Cb -0.08 -2.58 -0.18 0.00 0.10 0.00 0.00 34.13 31.39 2j4i s GLU 124 CO 0.46 0.21 1.61 -0.09 0.02 0.00 0.00 175.26 177.47 2j4i h ARG 125 N 2.71 -0.92 -0.54 1.61 2.43 -1.97 -0.43 114.38 117.26 2j4i h ARG 125 Ca -0.48 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 58.83 2j4i h ARG 125 Cb 1.18 0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 30.88 2j4i h ARG 125 CO 0.64 -0.61 0.22 -0.44 -1.51 0.00 0.00 179.97 178.27 2j4i h ASP 126 N -0.95 0.24 -0.47 -3.80 3.32 -1.95 -0.83 116.42 111.98 2j4i h ASP 126 Ca -0.08 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 2j4i h ASP 126 Cb 0.76 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 2j4i h ASP 126 CO 0.09 0.16 0.03 -0.25 -1.72 0.00 0.00 179.24 177.56 2j4i h TRP 127 N 0.41 0.87 -0.54 4.55 7.01 -1.97 -0.67 115.95 125.61 2j4i h TRP 127 Ca 0.26 -0.14 0.03 0.00 2.11 0.00 0.00 58.89 61.16 2j4i h TRP 127 Cb 0.27 -0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 27.06 2j4i h TRP 127 CO -0.15 0.82 0.31 0.00 -2.79 0.00 0.00 178.44 176.63 2j4i h ALA 128 N 0.94 0.70 -0.51 2.65 0.00 -0.75 0.42 119.26 122.71 2j4i h ALA 128 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2j4i h ALA 128 Cb 0.45 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2j4i h ALA 128 CO 0.02 0.00 0.02 0.93 0.00 0.00 0.00 179.25 180.22 2j4i h GLU 129 N 0.61 0.89 0.03 0.00 5.08 -0.88 0.38 114.58 120.69 2j4i h GLU 129 Ca 0.23 -0.27 -0.22 0.00 -1.00 0.00 0.00 59.36 58.09 2j4i h GLU 129 Cb 0.07 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2j4i h GLU 129 CO -0.12 0.91 -1.04 0.66 -1.00 0.00 0.00 179.01 178.42 2j4i h SER 130 N 0.76 0.09 0.00 1.42 4.64 -0.84 -3.37 113.55 116.25 2j4i h SER 130 Ca 0.15 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 2j4i h SER 130 Cb 0.50 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2j4i h SER 130 CO 0.02 1.06 -1.25 0.41 -0.87 0.00 0.00 176.83 176.21 2j4i n THR 131 N -3.40 0.25 -0.07 2.95 -1.04 0.15 -4.48 114.28 108.64 2j4i n THR 131 Ca -0.02 -0.11 -0.18 0.00 -2.04 0.00 0.00 64.05 61.71 2j4i n THR 131 Cb 0.95 -0.71 -0.13 0.00 -1.82 0.00 0.00 70.33 68.62 2j4i n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2j4i h LEU 131 N 0.00 0.06 0.00 -4.42 3.38 -1.10 -3.32 115.31 109.91 2j4i h LEU 131 Ca -0.10 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.05 2j4i h LEU 131 Cb 1.16 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2j4i h LEU 131 CO -0.01 1.23 0.00 0.23 0.09 0.00 0.00 178.44 179.98 2j4i n MET 131 N -4.47 0.09 0.00 1.13 2.81 -0.04 -1.68 117.12 114.96 2j4i n MET 131 Ca -0.19 0.19 0.13 0.00 -1.81 0.00 0.00 57.70 56.02 2j4i n MET 131 Cb 0.60 -1.50 0.28 0.00 -0.71 0.00 0.00 33.22 31.89 2j4i n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2j4i n THR 132 N -1.41 0.00 -1.09 2.03 -2.24 -1.26 -4.93 114.28 105.37 2j4i n THR 132 Ca 0.05 -0.36 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 2j4i n THR 132 Cb 0.16 1.01 0.15 0.00 -2.10 0.00 0.00 70.33 69.56 2j4i n THR 132 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2j4i s GLN 133 N -2.06 1.09 0.19 -0.78 -1.52 -0.68 -4.96 119.66 110.95 2j4i s GLN 133 Ca 0.31 0.92 -0.04 0.00 -1.95 0.00 0.00 55.36 54.60 2j4i s GLN 133 Cb 0.20 -1.78 0.13 0.00 -0.22 0.00 0.00 33.01 31.34 2j4i s GLN 133 CO 0.34 -2.39 1.54 0.87 -0.25 0.00 0.00 175.29 175.41 2j4i h LYS 134 N -1.66 0.66 -4.19 2.91 1.57 -1.92 -3.42 116.57 110.52 2j4i h LYS 134 Ca -0.50 -0.35 -0.15 0.00 -1.87 0.00 0.00 60.65 57.78 2j4i h LYS 134 Cb 1.28 0.02 -0.14 0.00 0.08 0.00 0.00 32.23 33.47 2j4i h LYS 134 CO 0.53 0.96 -0.51 0.95 -0.57 0.00 0.00 179.45 180.81 2j4i s THR 135 N -4.22 0.09 0.20 -0.16 -4.23 -1.26 -0.82 115.64 105.24 2j4i s THR 135 Ca -0.08 -1.68 0.02 0.00 -1.18 0.00 0.00 61.69 58.77 2j4i s THR 135 Cb 0.12 -1.92 -0.01 0.00 1.34 0.00 0.00 72.50 72.03 2j4i s THR 135 CO 0.84 -0.43 0.07 0.61 -0.54 0.00 0.00 174.62 175.17 2j4i n GLY 136 N -0.13 3.70 2.93 3.99 0.00 -0.21 -4.69 105.19 110.77 2j4i n GLY 136 Ca -0.07 -2.03 -0.23 0.00 0.00 0.00 0.00 46.02 43.70 2j4i n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j4i s ILE 137 N -2.26 0.81 0.08 -0.61 1.01 0.81 -0.35 121.20 120.69 2j4i s ILE 137 Ca 0.09 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.54 2j4i s ILE 137 Cb 0.00 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 2j4i s ILE 137 CO 0.07 0.30 0.03 0.54 0.00 0.00 0.00 174.94 175.87 2j4i s VAL 138 N 1.10 4.20 0.05 2.92 0.11 -0.08 -1.07 120.40 127.62 2j4i s VAL 138 Ca -0.07 -0.89 -0.08 0.00 -2.93 0.00 0.00 61.98 58.01 2j4i s VAL 138 Cb -0.14 -3.00 -0.00 0.00 -1.53 0.00 0.00 36.38 31.70 2j4i s VAL 138 CO -0.01 0.14 0.15 -0.94 -3.33 0.00 0.00 175.10 171.11 2j4i s SER 139 N -2.29 0.13 0.00 3.54 1.04 -1.09 -0.55 113.70 114.48 2j4i s SER 139 Ca 0.27 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2j4i s SER 139 Cb -0.12 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2j4i s SER 139 CO 0.19 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.42 2j4i n GLY 140 N 0.44 -0.22 1.56 7.32 0.00 -0.27 -4.28 105.19 109.72 2j4i n GLY 140 Ca -0.17 -1.14 0.10 0.00 0.00 0.00 0.00 46.02 44.80 2j4i n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2j4i n PHE 141 N -0.63 1.44 -0.50 1.61 3.72 -1.26 -2.04 117.46 119.80 2j4i n PHE 141 Ca 0.00 -0.61 -0.30 0.00 -0.05 0.00 0.00 57.45 56.49 2j4i n PHE 141 Cb 0.00 -0.23 0.28 0.00 -0.94 0.00 0.00 39.48 38.59 2j4i n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2j4i s GLY 142 N -0.94 1.45 0.54 1.37 0.00 -1.26 -0.56 107.32 107.93 2j4i s GLY 142 Ca 0.51 -0.77 -0.20 0.00 0.00 0.00 0.00 44.72 44.26 2j4i s GLY 142 CO 0.25 0.20 1.02 0.54 0.00 0.00 0.00 173.10 175.11 2j4i n ARG 143 N -5.44 1.13 0.00 2.90 1.74 0.18 -2.61 116.66 114.57 2j4i n ARG 143 Ca 0.12 0.42 0.12 0.00 -0.77 0.00 0.00 57.85 57.74 2j4i n ARG 143 Cb 0.59 -2.18 0.12 0.00 -1.02 0.00 0.00 32.46 29.97 2j4i n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2j4i n THR 144 N -1.29 0.00 -3.72 0.55 -2.24 -1.26 -0.78 114.28 105.55 2j4i n THR 144 Ca 0.12 -0.41 -0.12 0.00 -2.27 0.00 0.00 64.05 61.37 2j4i n THR 144 Cb 0.45 1.32 -0.07 0.00 -2.10 0.00 0.00 70.33 69.93 2j4i n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2j4i s HIS 145 N -2.12 -0.16 0.26 4.78 3.76 -1.26 -4.36 115.29 116.19 2j4i s HIS 145 Ca 0.27 0.03 -0.01 0.00 -0.15 0.00 0.00 55.06 55.20 2j4i s HIS 145 Cb 0.20 0.15 0.54 0.00 1.11 0.00 0.00 32.58 34.57 2j4i s HIS 145 CO 0.37 -0.54 1.76 1.49 -0.85 0.00 0.00 174.74 176.96 2j4i h GLU 147 N 3.06 0.59 -4.80 1.40 4.81 -1.90 -3.29 114.58 114.45 2j4i h GLU 147 Ca -0.32 -0.04 -0.67 0.00 -0.13 0.00 0.00 59.36 58.20 2j4i h GLU 147 Cb 1.21 -0.13 -0.24 0.00 0.63 0.00 0.00 28.75 30.21 2j4i h GLU 147 CO 0.45 0.39 -0.59 0.15 -0.73 0.00 0.00 179.01 178.68 2j4i s LYS 148 N -5.97 3.24 0.00 1.92 1.02 -1.26 -4.92 119.74 113.77 2j4i s LYS 148 Ca -0.12 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.10 2j4i s LYS 148 Cb 0.22 -3.45 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 2j4i s LYS 148 CO 0.78 -0.41 0.00 0.41 -0.92 0.00 0.00 175.35 175.21 2j4i n GLY 149 N 4.92 -1.50 3.94 -3.33 0.00 -1.24 -4.98 105.19 103.00 2j4i n GLY 149 Ca -0.14 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.59 2j4i n GLY 149 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2j4i s ARG 150 N -1.63 3.32 0.57 1.61 3.52 -1.26 -4.92 118.95 120.16 2j4i s ARG 150 Ca 0.00 -0.28 -0.21 0.00 -0.13 0.00 0.00 55.73 55.11 2j4i s ARG 150 Cb 0.00 -2.56 -0.04 0.00 -1.56 0.00 0.00 34.95 30.79 2j4i s ARG 150 CO 0.00 -0.10 1.30 1.04 -0.81 0.00 0.00 175.30 176.72 2j4i n GLN 151 N -2.01 1.47 -2.50 5.12 1.13 -1.26 -4.14 117.38 115.18 2j4i n GLN 151 Ca -0.01 0.55 -0.39 0.00 -1.94 0.00 0.00 57.00 55.21 2j4i n GLN 151 Cb 0.57 -2.51 -0.04 0.00 0.11 0.00 0.00 30.24 28.36 2j4i n GLN 151 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2j4i s SER 152 N -1.05 7.05 0.00 1.08 0.15 0.28 -4.90 113.70 116.31 2j4i s SER 152 Ca 0.75 2.18 0.27 0.00 0.70 0.00 0.00 55.95 59.84 2j4i s SER 152 Cb -0.41 -2.61 0.90 0.00 -1.71 0.00 0.00 66.02 62.18 2j4i s SER 152 CO 0.47 -0.29 1.67 0.35 1.20 0.00 0.00 173.24 176.64 2j4i n THR 153 N 0.67 0.00 -5.08 6.45 -2.24 -1.26 -4.79 114.28 108.03 2j4i n THR 153 Ca 0.01 -0.04 -0.30 0.00 -2.27 0.00 0.00 64.05 61.45 2j4i n THR 153 Cb 0.47 0.03 -0.15 0.00 -2.10 0.00 0.00 70.33 68.58 2j4i n THR 153 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2j4i s ARG 154 N -2.76 1.92 0.09 -0.78 1.81 -1.26 -0.38 118.95 117.59 2j4i s ARG 154 Ca 0.19 -1.03 -0.31 0.00 -1.72 0.00 0.00 55.73 52.87 2j4i s ARG 154 Cb 0.19 -1.99 -0.06 0.00 -0.45 0.00 0.00 34.95 32.63 2j4i s ARG 154 CO 0.57 0.53 1.24 -1.17 -0.68 0.00 0.00 175.30 175.79 2j4i s LEU 155 N -0.96 4.38 0.23 2.53 2.96 0.27 -4.65 118.68 123.45 2j4i s LEU 155 Ca 0.11 2.11 0.12 0.00 -0.22 0.00 0.00 54.13 56.25 2j4i s LEU 155 Cb -0.10 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 2j4i s LEU 155 CO 0.01 -0.49 -0.22 -0.54 -1.32 0.00 0.00 176.35 173.79 2j4i s LYS 156 N 0.87 1.61 0.11 1.98 1.02 -0.86 -0.46 119.74 124.00 2j4i s LYS 156 Ca 0.59 -1.62 0.03 0.00 0.02 0.00 0.00 55.97 54.98 2j4i s LYS 156 Cb -0.31 -1.82 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 2j4i s LYS 156 CO 0.31 0.37 -0.08 0.00 -0.92 0.00 0.00 175.35 175.03 2j4i s MET 157 N -3.04 0.90 -0.17 1.68 0.23 0.84 -1.12 119.30 118.62 2j4i s MET 157 Ca 0.25 -1.36 -0.10 0.00 -1.03 0.00 0.00 55.69 53.45 2j4i s MET 157 Cb -0.07 -0.34 0.06 0.00 -1.53 0.00 0.00 34.83 32.95 2j4i s MET 157 CO 0.12 0.01 0.42 -1.17 -2.03 0.00 0.00 175.02 172.37 2j4i s LEU 158 N -3.04 -0.03 -0.10 0.18 2.96 0.29 -1.02 118.68 117.92 2j4i s LEU 158 Ca 0.13 0.90 -0.30 0.00 -0.22 0.00 0.00 54.13 54.64 2j4i s LEU 158 Cb 0.04 1.38 -0.01 0.00 0.50 0.00 0.00 46.19 48.10 2j4i s LEU 158 CO -0.03 -0.19 1.04 -0.70 -1.32 0.00 0.00 176.35 175.15 2j4i s GLU 159 N 1.21 4.41 -0.15 1.98 2.12 -1.26 -0.90 118.70 126.10 2j4i s GLU 159 Ca -0.08 1.44 0.00 0.00 0.36 0.00 0.00 54.97 56.69 2j4i s GLU 159 Cb -0.07 -3.55 0.02 0.00 0.26 0.00 0.00 34.13 30.79 2j4i s GLU 159 CO -0.11 -0.35 -0.15 0.14 -0.54 0.00 0.00 175.26 174.26 2j4i s VAL 160 N 2.09 1.61 0.42 3.70 -7.23 0.53 -4.97 120.40 116.54 2j4i s VAL 160 Ca 0.49 -0.66 -0.26 0.00 -1.81 0.00 0.00 61.98 59.75 2j4i s VAL 160 Cb -0.19 -1.50 -0.10 0.00 0.56 0.00 0.00 36.38 35.15 2j4i s VAL 160 CO 0.18 0.46 1.34 -2.65 -0.31 0.00 0.00 175.10 174.13 2j4i n PRO 161 N 4.74 2.12 -2.23 4.82 -0.02 -1.26 -1.05 135.00 142.11 2j4i n PRO 161 Ca -0.17 0.75 -0.40 0.00 -2.02 0.00 0.00 63.50 61.66 2j4i n PRO 161 Cb 0.50 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 2j4i n PRO 161 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2j4i s TYR 162 N -1.18 3.13 -0.11 6.00 2.02 0.00 -0.83 117.35 126.38 2j4i s TYR 162 Ca 0.60 1.52 -0.00 0.00 -0.37 0.00 0.00 57.07 58.81 2j4i s TYR 162 Cb -0.49 -3.51 -0.02 0.00 -0.40 0.00 0.00 41.96 37.53 2j4i s TYR 162 CO 0.59 -1.46 -0.08 0.08 -1.57 0.00 0.00 175.55 173.11 2j4i s VAL 163 N -1.25 3.52 0.18 0.71 1.01 -0.94 -4.87 120.40 118.77 2j4i s VAL 163 Ca 0.52 -0.52 -0.33 0.00 0.00 0.00 0.00 61.98 61.65 2j4i s VAL 163 Cb -0.35 -2.48 -0.15 0.00 0.00 0.00 0.00 36.38 33.40 2j4i s VAL 163 CO 0.45 0.55 1.24 -0.67 0.00 0.00 0.00 175.10 176.67 2j4i n ASP 164 N 2.95 1.71 -0.28 3.32 2.03 -1.26 -4.62 116.55 120.40 2j4i n ASP 164 Ca -0.18 1.14 -0.02 0.00 0.52 0.00 0.00 54.79 56.25 2j4i n ASP 164 Cb 0.53 -1.26 0.15 0.00 -0.72 0.00 0.00 41.12 39.82 2j4i n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2j4i h ARG 165 N 3.73 1.14 -0.22 -0.67 2.43 -1.97 -1.66 114.38 117.16 2j4i h ARG 165 Ca -0.44 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 58.62 2j4i h ARG 165 Cb 1.33 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 2j4i h ARG 165 CO 0.72 0.81 0.13 -0.97 -1.51 0.00 0.00 179.97 179.15 2j4i h ASN 166 N 1.16 0.28 -0.42 -3.80 -1.24 -2.00 -2.03 115.58 107.52 2j4i h ASN 166 Ca 0.30 -0.08 0.03 0.00 0.71 0.00 0.00 56.30 57.26 2j4i h ASN 166 Cb -0.02 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 38.92 2j4i h ASN 166 CO -0.05 0.28 0.23 0.28 -1.29 0.00 0.00 177.43 176.87 2j4i h SER 167 N 0.26 0.35 -0.53 1.15 0.02 -1.86 -0.80 113.55 112.14 2j4i h SER 167 Ca 0.08 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2j4i h SER 167 Cb 0.06 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2j4i h SER 167 CO -0.01 0.25 0.35 0.00 -1.14 0.00 0.00 176.83 176.28 2j4i h LYS 169 N 0.71 0.56 -0.57 0.00 1.57 -0.93 -2.17 116.57 115.74 2j4i h LYS 169 Ca 0.20 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2j4i h LYS 169 Cb -0.07 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 2j4i h LYS 169 CO -0.05 0.39 0.35 -0.07 -0.57 0.00 0.00 179.45 179.50 2j4i h LEU 170 N 0.57 0.68 -0.48 2.94 3.38 -0.55 -2.77 115.31 119.08 2j4i h LEU 170 Ca 0.15 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2j4i h LEU 170 Cb -0.04 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2j4i h LEU 170 CO -0.03 0.52 0.00 0.77 0.09 0.00 0.00 178.44 179.78 2j4i h SER 171 N 0.79 0.00 -3.10 -0.43 4.64 -0.56 -3.46 113.55 111.43 2j4i h SER 171 Ca 0.21 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.92 2j4i h SER 171 Cb -0.04 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 61.97 2j4i h SER 171 CO -0.04 0.00 -0.31 -0.55 -0.87 0.00 0.00 176.83 175.06 2j4i s SER 172 N -5.26 6.55 0.01 4.97 0.15 -0.90 -4.80 113.70 114.41 2j4i s SER 172 Ca 0.06 0.65 0.28 0.00 0.70 0.00 0.00 55.95 57.64 2j4i s SER 172 Cb 0.09 -2.19 1.07 0.00 -1.71 0.00 0.00 66.02 63.28 2j4i s SER 172 CO 0.57 0.21 1.81 -1.20 1.20 0.00 0.00 173.24 175.83 2j4i n SER 173 N 2.79 0.13 -4.33 5.45 7.64 -1.26 -4.84 113.62 119.20 2j4i n SER 173 Ca -0.14 0.34 -0.20 0.00 1.01 0.00 0.00 58.87 59.89 2j4i n SER 173 Cb 0.53 -0.34 -0.11 0.00 -1.01 0.00 0.00 64.21 63.28 2j4i n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2j4i s PHE 174 N -3.00 1.72 0.26 1.43 0.40 -1.26 -5.11 117.98 112.41 2j4i s PHE 174 Ca 0.13 -0.53 -0.30 0.00 -0.60 0.00 0.00 56.93 55.63 2j4i s PHE 174 Cb 0.18 -0.83 -0.11 0.00 0.51 0.00 0.00 43.02 42.77 2j4i s PHE 174 CO 0.57 0.32 1.59 -1.50 0.70 0.00 0.00 175.22 176.90 2j4i s ILE 175 N -2.51 2.21 -0.46 0.64 2.07 -1.26 -4.98 121.20 116.90 2j4i s ILE 175 Ca 0.18 0.17 -0.10 0.00 -1.41 0.00 0.00 60.65 59.49 2j4i s ILE 175 Cb -0.03 -3.11 0.11 0.00 0.13 0.00 0.00 42.46 39.56 2j4i s ILE 175 CO 0.06 0.02 0.34 -0.63 -1.91 0.00 0.00 174.94 172.82 2j4i s ILE 176 N 0.28 4.31 0.84 2.00 -1.09 -1.26 -5.06 121.20 121.21 2j4i s ILE 176 Ca 0.65 -1.66 -0.13 0.00 -2.23 0.00 0.00 60.65 57.29 2j4i s ILE 176 Cb -0.47 -3.78 0.10 0.00 -1.58 0.00 0.00 42.46 36.73 2j4i s ILE 176 CO 0.43 -0.71 1.20 0.42 -1.23 0.00 0.00 174.94 175.05 2j4i s THR 177 N 1.40 2.00 -1.20 2.92 -4.23 -1.26 -4.94 115.64 110.32 2j4i s THR 177 Ca 0.05 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.68 2j4i s THR 177 Cb -0.26 -2.99 0.15 0.00 1.34 0.00 0.00 72.50 70.75 2j4i s THR 177 CO 0.00 0.00 1.35 0.00 -0.54 0.00 0.00 174.62 175.44 2j4i n GLN 178 N -3.41 0.08 -0.24 3.99 6.02 -1.26 -1.65 117.38 120.92 2j4i n GLN 178 Ca 0.09 0.23 0.07 0.00 -0.01 0.00 0.00 57.00 57.39 2j4i n GLN 178 Cb 0.61 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 30.57 2j4i n GLN 178 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2j4i n ASN 179 N -1.40 2.50 -4.23 1.08 3.02 -1.26 -4.88 115.26 110.09 2j4i n ASN 179 Ca 0.04 -2.00 -0.16 0.00 -0.03 0.00 0.00 54.58 52.43 2j4i n ASN 179 Cb 0.12 -0.31 -0.11 0.00 -0.61 0.00 0.00 39.78 38.87 2j4i n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2j4i s MET 180 N -1.38 0.99 0.18 3.52 -1.94 -0.66 -0.51 119.30 119.50 2j4i s MET 180 Ca 0.31 -1.28 -0.05 0.00 -1.71 0.00 0.00 55.69 52.97 2j4i s MET 180 Cb 0.16 -0.74 -0.03 0.00 2.01 0.00 0.00 34.83 36.23 2j4i s MET 180 CO 0.21 0.13 0.21 -0.59 -0.01 0.00 0.00 175.02 174.96 2j4i s PHE 181 N -2.52 0.78 0.08 -0.03 -0.12 -0.20 -4.76 117.98 111.21 2j4i s PHE 181 Ca 0.10 -1.09 0.09 0.00 -0.05 0.00 0.00 56.93 55.98 2j4i s PHE 181 Cb -0.03 -0.30 -0.03 0.00 -0.63 0.00 0.00 43.02 42.03 2j4i s PHE 181 CO 0.02 -0.69 -0.22 0.00 -0.05 0.00 0.00 175.22 174.28 2j4i s ALA 183 N -0.97 -1.04 0.00 0.00 0.00 -0.46 -2.21 121.76 117.09 2j4i s ALA 183 Ca 0.14 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.63 2j4i s ALA 183 Cb -0.10 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.14 2j4i s ALA 183 CO 0.06 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.90 2j4i n GLY 184 N 1.01 0.42 3.12 0.00 0.00 -0.01 -1.32 105.19 108.42 2j4i n GLY 184 Ca -0.20 -1.70 -0.19 0.00 0.00 0.00 0.00 46.02 43.93 2j4i n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2j4i s TYR 185 N -2.23 1.13 0.02 1.61 2.02 -1.26 -4.01 117.35 114.64 2j4i s TYR 185 Ca 0.00 -0.33 -0.28 0.00 -0.37 0.00 0.00 57.07 56.09 2j4i s TYR 185 Cb 0.00 -0.68 -0.16 0.00 -0.40 0.00 0.00 41.96 40.72 2j4i s TYR 185 CO 0.00 0.02 1.23 0.22 -1.57 0.00 0.00 175.55 175.44 2j4i h ASP 185 N 5.08 -0.76 0.00 2.29 3.58 -1.92 -3.43 116.42 121.26 2j4i h ASP 185 Ca -0.37 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.03 2j4i h ASP 185 Cb 1.18 0.20 -0.01 0.00 1.72 0.00 0.00 39.33 42.42 2j4i h ASP 185 CO 0.45 -0.41 -1.18 0.35 -2.88 0.00 0.00 179.24 175.57 2j4i n THR 185 N -5.40 0.18 -1.65 2.25 -2.24 -1.26 -0.08 114.28 106.08 2j4i n THR 185 Ca -0.12 -0.10 -0.45 0.00 -2.27 0.00 0.00 64.05 61.10 2j4i n THR 185 Cb 0.37 -0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 67.70 2j4i n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2j4i n LYS 186 N -2.19 1.87 -2.05 -0.78 4.81 -1.26 -4.75 118.16 113.81 2j4i n LYS 186 Ca -0.04 0.67 -0.42 0.00 -0.87 0.00 0.00 58.31 57.64 2j4i n LYS 186 Cb 0.58 -2.29 -0.00 0.00 0.02 0.00 0.00 35.03 33.34 2j4i n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2j4i n GLN 187 N 1.98 3.65 -3.76 1.64 1.13 -1.26 -4.73 117.38 116.02 2j4i n GLN 187 Ca 0.12 -3.20 -0.13 0.00 -1.94 0.00 0.00 57.00 51.85 2j4i n GLN 187 Cb 0.30 -2.94 -0.13 0.00 0.11 0.00 0.00 30.24 27.59 2j4i n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2j4i s GLU 188 N 0.84 0.21 0.08 -1.09 2.02 -1.26 -4.27 118.70 115.23 2j4i s GLU 188 Ca 0.46 0.43 -0.27 0.00 0.02 0.00 0.00 54.97 55.60 2j4i s GLU 188 Cb 0.13 -0.03 0.09 0.00 0.10 0.00 0.00 34.13 34.42 2j4i s GLU 188 CO -0.04 -0.11 1.12 0.34 0.02 0.00 0.00 175.26 176.59 2j4i s ASP 189 N 0.80 -0.11 0.99 -0.19 -1.08 -0.86 -4.46 116.67 111.75 2j4i s ASP 189 Ca -0.06 -0.29 -0.14 0.00 -0.52 0.00 0.00 52.55 51.54 2j4i s ASP 189 Cb -0.07 0.34 0.18 0.00 -1.46 0.00 0.00 42.92 41.91 2j4i s ASP 189 CO -0.05 -0.63 1.17 0.00 0.52 0.00 0.00 175.17 176.18 2j4i s ALA 190 N -2.84 1.58 0.30 3.66 0.00 -1.26 0.07 121.76 123.26 2j4i s ALA 190 Ca 0.14 -0.74 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 2j4i s ALA 190 Cb 0.01 -2.95 0.04 0.00 0.00 0.00 0.00 23.12 20.22 2j4i s ALA 190 CO -0.00 -2.62 0.57 0.00 0.00 0.00 0.00 175.76 173.71 2j4i n GLN 192 N -0.41 1.76 0.00 0.00 7.27 -1.26 -1.44 117.38 123.30 2j4i n GLN 192 Ca -0.06 0.63 0.00 0.00 0.07 0.00 0.00 57.00 57.65 2j4i n GLN 192 Cb 0.45 -2.34 0.00 0.00 2.41 0.00 0.00 30.24 30.76 2j4i n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2j4i n GLY 193 N 2.91 3.30 0.22 1.69 0.00 -1.26 -0.64 105.19 111.41 2j4i n GLY 193 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 2j4i n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2j4i h ASP 194 N 0.00 0.00 -1.72 1.61 3.32 -1.54 -3.30 116.42 114.79 2j4i h ASP 194 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 2j4i h ASP 194 Cb 0.00 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.66 2j4i h ASP 194 CO 0.00 0.04 -0.24 -1.20 -1.72 0.00 0.00 179.24 176.12 2j4i n SER 195 N -3.11 -0.11 0.00 6.45 7.64 -1.26 -1.58 113.62 121.64 2j4i n SER 195 Ca 0.04 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.06 2j4i n SER 195 Cb 0.54 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2j4i n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2j4i n GLY 196 N 1.64 2.52 3.94 0.23 0.00 0.25 -0.29 105.19 113.48 2j4i n GLY 196 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2j4i n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2j4i s GLY 197 N -1.91 1.80 0.21 -0.02 0.00 -0.62 -3.09 107.32 103.70 2j4i s GLY 197 Ca 0.00 -1.33 -0.30 0.00 0.00 0.00 0.00 44.72 43.09 2j4i s GLY 197 CO 0.00 -0.54 1.01 -4.14 0.00 0.00 0.00 173.10 169.43 2j4i s PRO 198 N -5.86 4.73 -0.23 2.90 0.02 -1.26 -1.91 135.00 133.39 2j4i s PRO 198 Ca 0.75 1.60 -0.01 0.00 0.02 0.00 0.00 61.00 63.35 2j4i s PRO 198 Cb -0.03 -3.28 0.02 0.00 0.02 0.00 0.00 34.50 31.23 2j4i s PRO 198 CO 0.53 0.31 -0.09 -1.58 -0.33 0.00 0.00 177.00 175.83 2j4i s HIS 199 N -0.77 2.98 0.24 6.54 2.46 -0.79 -2.69 115.29 123.26 2j4i s HIS 199 Ca 0.45 -1.47 0.11 0.00 0.47 0.00 0.00 55.06 54.61 2j4i s HIS 199 Cb -0.28 -2.03 -0.05 0.00 -0.13 0.00 0.00 32.58 30.10 2j4i s HIS 199 CO 0.34 -0.71 -0.19 0.14 -2.47 0.00 0.00 174.74 171.85 2j4i s VAL 200 N 1.34 2.22 -0.05 0.89 -7.23 -0.23 -0.78 120.40 116.56 2j4i s VAL 200 Ca 0.02 -2.29 0.03 0.00 -1.81 0.00 0.00 61.98 57.94 2j4i s VAL 200 Cb -0.15 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.61 2j4i s VAL 200 CO -0.06 -0.42 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.27 2j4i s THR 201 N -2.52 1.24 -0.02 5.32 2.01 -0.05 -0.14 115.64 121.48 2j4i s THR 201 Ca 0.26 -0.59 -0.21 0.00 0.31 0.00 0.00 61.69 61.46 2j4i s THR 201 Cb -0.04 -1.09 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 2j4i s THR 201 CO 0.12 0.37 0.61 -0.60 -0.69 0.00 0.00 174.62 174.43 2j4i s ARG 202 N 0.27 4.35 -0.11 4.92 3.52 -1.26 -1.07 118.95 129.57 2j4i s ARG 202 Ca -0.07 0.75 -0.02 0.00 -0.13 0.00 0.00 55.73 56.26 2j4i s ARG 202 Cb -0.12 -3.37 0.04 0.00 -1.56 0.00 0.00 34.95 29.93 2j4i s ARG 202 CO 0.03 0.29 0.02 0.12 -0.81 0.00 0.00 175.30 174.95 2j4i s PHE 203 N 0.06 0.67 -1.30 5.12 5.36 0.32 -4.90 117.98 123.32 2j4i s PHE 203 Ca 0.32 -0.32 -0.12 0.00 -0.96 0.00 0.00 56.93 55.86 2j4i s PHE 203 Cb -0.18 -0.82 0.00 0.00 -0.34 0.00 0.00 43.02 41.68 2j4i s PHE 203 CO 0.17 -0.40 0.55 1.63 -1.46 0.00 0.00 175.22 175.71 2j4i n LYS 204 N 5.15 -2.03 -1.61 10.12 5.02 -1.26 -1.53 118.16 132.03 2j4i n LYS 204 Ca -0.07 0.36 -0.17 0.00 -2.02 0.00 0.00 58.31 56.40 2j4i n LYS 204 Cb 0.49 -4.06 -0.07 0.00 -0.02 0.00 0.00 35.03 31.37 2j4i n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2j4i n ASP 205 N -2.76 -4.65 -4.21 4.39 8.00 -1.26 -4.97 116.55 111.09 2j4i n ASP 205 Ca -0.21 0.39 -0.29 0.00 0.71 0.00 0.00 54.79 55.39 2j4i n ASP 205 Cb 0.64 -4.15 -0.16 0.00 -0.02 0.00 0.00 41.12 37.42 2j4i n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2j4i s THR 206 N -2.52 1.79 -0.19 -3.53 2.01 -0.58 -5.13 115.64 107.50 2j4i s THR 206 Ca 0.00 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 61.02 2j4i s THR 206 Cb 0.00 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 2j4i s THR 206 CO 0.00 0.50 0.03 -0.31 -0.69 0.00 0.00 174.62 174.15 2j4i s TYR 207 N -0.03 3.14 -0.06 4.92 1.51 -1.26 -0.52 117.35 125.05 2j4i s TYR 207 Ca -0.05 -0.15 0.04 0.00 -1.01 0.00 0.00 57.07 55.90 2j4i s TYR 207 Cb -0.13 -2.07 -0.02 0.00 -0.11 0.00 0.00 41.96 39.63 2j4i s TYR 207 CO 0.03 -0.01 -0.17 -0.06 -1.11 0.00 0.00 175.55 174.24 2j4i s PHE 208 N 0.61 2.65 -0.01 2.71 0.08 -0.23 -2.22 117.98 121.58 2j4i s PHE 208 Ca 0.01 -0.35 -0.30 0.00 0.12 0.00 0.00 56.93 56.41 2j4i s PHE 208 Cb -0.13 -1.65 -0.06 0.00 -0.57 0.00 0.00 43.02 40.60 2j4i s PHE 208 CO 0.02 0.03 1.56 0.08 -0.10 0.00 0.00 175.22 176.81 2j4i s VAL 209 N -0.43 3.49 0.00 -0.44 1.01 -0.03 -0.88 120.40 123.12 2j4i s VAL 209 Ca 0.05 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.82 2j4i s VAL 209 Cb -0.12 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2j4i s VAL 209 CO 0.02 -0.03 0.00 0.35 0.00 0.00 0.00 175.10 175.44 2j4i n THR 210 N 5.01 0.00 -3.93 3.92 -2.24 0.04 -4.56 114.28 112.53 2j4i n THR 210 Ca 0.15 -0.07 -0.08 0.00 -2.27 0.00 0.00 64.05 61.78 2j4i n THR 210 Cb 0.42 0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 69.17 2j4i n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2j4i s GLY 211 N -1.74 0.23 -0.10 3.38 0.00 -0.44 -2.52 107.32 106.13 2j4i s GLY 211 Ca 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 44.72 44.15 2j4i s GLY 211 CO 0.00 -0.37 -0.19 -0.42 0.00 0.00 0.00 173.10 172.12 2j4i s ILE 212 N -3.97 1.73 0.02 0.90 1.01 -0.88 -1.88 121.20 118.14 2j4i s ILE 212 Ca 0.17 -0.81 -0.34 0.00 0.00 0.00 0.00 60.65 59.67 2j4i s ILE 212 Cb -0.03 -1.54 -0.13 0.00 0.01 0.00 0.00 42.46 40.78 2j4i s ILE 212 CO 0.08 0.49 1.76 0.52 0.00 0.00 0.00 174.94 177.78 2j4i n VAL 213 N 3.86 0.35 0.05 2.92 0.31 -0.80 -0.88 118.33 124.13 2j4i n VAL 213 Ca -0.20 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 2j4i n VAL 213 Cb 0.52 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 2j4i n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2j4i n SER 214 N 5.34 0.71 -3.75 4.52 2.88 -0.75 -0.59 113.62 121.99 2j4i n SER 214 Ca 0.20 0.14 -0.06 0.00 -1.33 0.00 0.00 58.87 57.82 2j4i n SER 214 Cb 0.29 -0.18 -0.01 0.00 -0.75 0.00 0.00 64.21 63.56 2j4i n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2j4i s TRP 215 N -1.74 -0.14 -0.03 0.66 1.48 -0.59 -4.88 118.94 113.70 2j4i s TRP 215 Ca 0.00 -0.30 -0.29 0.00 -1.06 0.00 0.00 56.10 54.45 2j4i s TRP 215 Cb 0.00 0.71 0.10 0.00 -1.16 0.00 0.00 33.47 33.12 2j4i s TRP 215 CO 0.00 -1.18 0.89 0.20 -4.06 0.00 0.00 176.95 172.80 2j4i s GLY 216 N -2.95 -0.44 -1.11 3.67 0.00 -1.26 -0.65 107.32 104.58 2j4i s GLY 216 Ca 0.12 1.19 -0.17 0.00 0.00 0.00 0.00 44.72 45.86 2j4i s GLY 216 CO 0.06 0.48 1.40 -0.54 0.00 0.00 0.00 173.10 174.50 2j4i s GLU 217 N -2.70 3.85 2.01 2.90 2.02 -1.26 -4.84 118.70 120.68 2j4i s GLU 217 Ca 0.03 -2.02 0.00 0.00 0.02 0.00 0.00 54.97 53.00 2j4i s GLU 217 Cb -0.01 -5.15 0.00 0.00 0.10 0.00 0.00 34.13 29.08 2j4i s GLU 217 CO -0.06 -1.92 0.00 0.41 0.02 0.00 0.00 175.26 173.71 2j4i n GLY 219 N 5.16 -1.22 2.86 -1.39 0.00 -1.26 -4.63 105.19 104.70 2j4i n GLY 219 Ca 0.34 -1.34 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 2j4i n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j4i n ALA 221 N 4.48 -0.43 -1.77 0.00 0.00 -1.26 -4.71 120.51 116.82 2j4i n ALA 221 Ca -0.18 0.20 -0.38 0.00 0.00 0.00 0.00 53.44 53.08 2j4i n ALA 221 Cb 0.50 -1.91 -0.04 0.00 0.00 0.00 0.00 19.45 18.01 2j4i n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2j4i s ARG 222 N -4.37 4.32 0.28 0.00 0.52 -1.26 -4.69 118.95 113.74 2j4i s ARG 222 Ca 0.00 1.62 -0.30 0.00 -0.52 0.00 0.00 55.73 56.53 2j4i s ARG 222 Cb 0.00 -2.77 -0.11 0.00 0.52 0.00 0.00 34.95 32.59 2j4i s ARG 222 CO 0.00 -0.03 1.58 0.15 0.02 0.00 0.00 175.30 177.02 2j4i s LYS 223 N -2.13 4.14 0.00 3.54 1.02 -1.26 -2.09 119.74 122.96 2j4i s LYS 223 Ca 0.53 2.54 0.00 0.00 0.02 0.00 0.00 55.97 59.06 2j4i s LYS 223 Cb -0.26 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 2j4i s LYS 223 CO 0.33 -0.61 0.00 0.41 -0.92 0.00 0.00 175.35 174.55 2j4i n GLY 223 N 2.30 0.41 3.28 -3.33 0.00 0.89 -5.00 105.19 103.73 2j4i n GLY 223 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 2j4i n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j4i s LYS 224 N -0.53 1.11 0.40 1.61 -0.14 -0.89 -4.77 119.74 116.53 2j4i s LYS 224 Ca 0.00 -1.18 0.07 0.00 -1.36 0.00 0.00 55.97 53.50 2j4i s LYS 224 Cb 0.00 -1.31 -0.07 0.00 -1.68 0.00 0.00 37.83 34.77 2j4i s LYS 224 CO 0.00 0.30 0.05 0.71 -0.76 0.00 0.00 175.35 175.65 2j4i s TYR 225 N -1.34 2.54 0.23 3.18 2.02 -1.26 -4.62 117.35 118.10 2j4i s TYR 225 Ca 0.07 -0.63 -0.23 0.00 -0.37 0.00 0.00 57.07 55.91 2j4i s TYR 225 Cb -0.09 -1.80 -0.09 0.00 -0.40 0.00 0.00 41.96 39.59 2j4i s TYR 225 CO 0.04 0.39 0.81 0.20 -1.57 0.00 0.00 175.55 175.41 2j4i s GLY 226 N -3.76 2.77 -0.15 0.71 0.00 -0.43 -4.53 107.32 101.92 2j4i s GLY 226 Ca 0.37 0.33 -0.02 0.00 0.00 0.00 0.00 44.72 45.40 2j4i s GLY 226 CO 0.19 0.76 -0.09 -0.42 0.00 0.00 0.00 173.10 173.54 2j4i s ILE 227 N -1.43 3.32 0.05 0.90 -1.09 0.18 -1.35 121.20 121.77 2j4i s ILE 227 Ca 0.43 -0.55 0.08 0.00 -2.23 0.00 0.00 60.65 58.37 2j4i s ILE 227 Cb -0.19 -2.43 -0.03 0.00 -1.58 0.00 0.00 42.46 38.23 2j4i s ILE 227 CO 0.24 0.50 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.92 2j4i s TYR 228 N 0.57 1.86 0.22 3.97 1.51 -0.05 -1.54 117.35 123.89 2j4i s TYR 228 Ca -0.06 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.32 2j4i s TYR 228 Cb -0.15 -1.11 -0.10 0.00 -0.11 0.00 0.00 41.96 40.50 2j4i s TYR 228 CO 0.03 0.10 1.42 0.99 -1.11 0.00 0.00 175.55 176.98 2j4i s THR 229 N -0.81 2.81 -0.65 -0.71 2.01 -0.06 -1.03 115.64 117.19 2j4i s THR 229 Ca 0.08 0.66 -0.24 0.00 0.31 0.00 0.00 61.69 62.50 2j4i s THR 229 Cb -0.09 -3.42 0.05 0.00 0.01 0.00 0.00 72.50 69.05 2j4i s THR 229 CO 0.02 0.09 1.04 -0.75 -0.69 0.00 0.00 174.62 174.34 2j4i s LYS 230 N -0.04 3.19 0.47 4.92 2.20 0.33 -2.06 119.74 128.75 2j4i s LYS 230 Ca 0.60 -0.54 0.14 0.00 -0.36 0.00 0.00 55.97 55.82 2j4i s LYS 230 Cb -0.41 -4.17 1.10 0.00 -1.51 0.00 0.00 37.83 32.84 2j4i s LYS 230 CO 0.40 -1.83 2.07 0.28 -0.36 0.00 0.00 175.35 175.91 2j4i h VAL 231 N 6.00 1.07 0.00 4.02 2.07 -1.81 -2.00 116.25 125.60 2j4i h VAL 231 Ca -0.28 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 2j4i h VAL 231 Cb 1.07 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 2j4i h VAL 231 CO 1.19 0.09 -0.09 0.71 0.02 0.00 0.00 177.57 179.49 2j4i h THR 232 N 0.07 0.83 0.00 2.57 1.35 -1.90 0.15 112.91 115.98 2j4i h THR 232 Ca 0.02 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2j4i h THR 232 Cb 0.13 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 2j4i h THR 232 CO 0.01 0.09 0.00 0.00 -0.25 0.00 0.00 175.52 175.37 2j4i n ALA 233 N -2.42 1.92 -0.47 6.62 0.00 -0.75 -3.56 120.51 121.85 2j4i n ALA 233 Ca -0.03 0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2j4i n ALA 233 Cb 0.18 -1.40 0.05 0.00 0.00 0.00 0.00 19.45 18.27 2j4i n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2j4i n PHE 234 N -2.08 0.00 -0.32 0.00 3.72 0.02 -4.81 117.46 113.99 2j4i n PHE 234 Ca 0.04 -0.64 -0.05 0.00 -0.05 0.00 0.00 57.45 56.75 2j4i n PHE 234 Cb 0.29 -0.08 0.08 0.00 -0.94 0.00 0.00 39.48 38.83 2j4i n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2j4i h LEU 235 N 0.00 1.11 -0.30 4.37 3.38 -1.54 0.51 115.31 122.84 2j4i h LEU 235 Ca 0.00 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 2j4i h LEU 235 Cb 0.72 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2j4i h LEU 235 CO 0.00 0.92 -0.15 0.11 0.09 0.00 0.00 178.44 179.41 2j4i h LYS 236 N 1.22 0.64 -0.49 1.13 1.57 -1.87 -0.45 116.57 118.32 2j4i h LYS 236 Ca 0.30 -0.28 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2j4i h LYS 236 Cb 0.10 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 2j4i h LYS 236 CO -0.04 0.87 0.25 2.35 -0.57 0.00 0.00 179.45 182.30 2j4i h TRP 237 N 0.39 0.45 -0.09 -1.35 7.01 -1.75 0.13 115.95 120.74 2j4i h TRP 237 Ca 0.07 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.09 2j4i h TRP 237 Cb 0.68 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.60 2j4i h TRP 237 CO 0.06 0.23 0.05 0.82 -2.79 0.00 0.00 178.44 176.81 2j4i h ILE 238 N 0.49 1.05 -0.34 2.65 2.04 0.15 0.10 117.51 123.65 2j4i h ILE 238 Ca 0.21 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 66.00 2j4i h ILE 238 Cb 0.12 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 2j4i h ILE 238 CO -0.15 0.04 0.04 -0.78 0.00 0.00 0.00 178.15 177.30 2j4i h ASP 239 N 0.09 -0.06 -0.60 1.72 3.58 -0.56 -1.13 116.42 119.47 2j4i h ASP 239 Ca 0.03 0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.57 2j4i h ASP 239 Cb 0.03 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.14 2j4i h ASP 239 CO -0.01 0.01 0.37 0.03 -2.88 0.00 0.00 179.24 176.76 2j4i h ARG 240 N 0.14 0.72 -0.46 0.28 3.08 -0.59 -2.40 114.38 115.15 2j4i h ARG 240 Ca 0.16 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.18 2j4i h ARG 240 Cb 0.20 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2j4i h ARG 240 CO -0.24 0.47 0.31 0.77 -1.07 0.00 0.00 179.97 180.21 2j4i h SER 241 N 0.74 0.53 1.63 7.04 0.02 -0.14 -2.79 113.55 120.58 2j4i h SER 241 Ca 0.24 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2j4i h SER 241 Cb -0.00 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2j4i h SER 241 CO -0.09 0.38 0.00 0.24 -1.14 0.00 0.00 176.83 176.22 2j4i h MET 242 N 0.62 0.00 -2.63 3.45 2.86 -0.72 -3.35 114.93 115.16 2j4i h MET 242 Ca 0.17 0.00 -0.72 0.00 -2.06 0.00 0.00 59.70 57.09 2j4i h MET 242 Cb -0.06 0.00 -0.34 0.00 0.06 0.00 0.00 31.60 31.26 2j4i h MET 242 CO -0.04 0.00 0.20 0.36 1.06 0.00 0.00 176.91 178.50 2j4i n LYS 243 N -2.54 3.65 0.00 1.72 2.85 -1.05 -5.11 118.16 117.68 2j4i n LYS 243 Ca 0.05 -4.61 0.00 0.00 -1.05 0.00 0.00 58.31 52.70 2j4i n LYS 243 Cb 0.46 -2.41 0.00 0.00 -0.65 0.00 0.00 35.03 32.43 2j4i n LYS 243 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60