#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j94 s VAL 17 N 0.00 5.18 0.00 1.39 1.01 0.39 -4.07 120.40 124.30 2j94 s VAL 17 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.72 2j94 s VAL 17 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2j94 s VAL 17 CO 0.00 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.93 2j94 n GLY 18 N 4.03 -0.23 7.00 4.51 0.00 -1.26 -1.87 105.19 117.38 2j94 n GLY 18 Ca -0.08 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2j94 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j94 n GLY 19 N 0.00 0.33 3.26 -0.02 0.00 -1.26 -4.91 105.19 102.59 2j94 n GLY 19 Ca 0.00 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 2j94 n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j94 s GLN 20 N 0.00 1.14 0.42 1.61 -1.52 -0.46 -4.98 119.66 115.87 2j94 s GLN 20 Ca 0.00 -1.54 -0.25 0.00 -1.95 0.00 0.00 55.36 51.62 2j94 s GLN 20 Cb 0.00 -0.44 -0.08 0.00 -0.22 0.00 0.00 33.01 32.27 2j94 s GLN 20 CO 0.00 -0.07 1.25 -1.21 -0.25 0.00 0.00 175.29 175.01 2j94 s GLU 21 N -3.86 3.90 -0.05 2.91 2.02 -1.26 -0.51 118.70 121.85 2j94 s GLU 21 Ca 0.23 2.01 -0.30 0.00 0.02 0.00 0.00 54.97 56.93 2j94 s GLU 21 Cb 0.05 -2.64 -0.04 0.00 0.10 0.00 0.00 34.13 31.60 2j94 s GLU 21 CO 0.04 -0.51 1.34 0.00 0.02 0.00 0.00 175.26 176.16 2j94 s LYS 23 N 2.66 1.59 -0.28 0.00 -0.14 -1.26 -4.90 119.74 117.41 2j94 s LYS 23 Ca 0.61 -0.64 -0.38 0.00 -1.36 0.00 0.00 55.97 54.19 2j94 s LYS 23 Cb -0.28 -2.16 -0.14 0.00 -1.68 0.00 0.00 37.83 33.57 2j94 s LYS 23 CO 0.23 -1.61 1.90 -3.47 -0.76 0.00 0.00 175.35 171.64 2j94 n ASP 24 N -3.09 2.40 0.00 2.83 2.03 -1.26 -1.20 116.55 118.26 2j94 n ASP 24 Ca 0.13 0.88 0.00 0.00 0.52 0.00 0.00 54.79 56.31 2j94 n ASP 24 Cb 0.60 -1.19 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 2j94 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2j94 n GLY 25 N 4.99 0.82 0.10 0.27 0.00 -1.26 -4.94 105.19 105.17 2j94 n GLY 25 Ca 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.31 2j94 n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2j94 h GLU 26 N 2.34 0.00 -2.12 1.61 5.08 -1.50 -3.38 114.58 116.61 2j94 h GLU 26 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 2j94 h GLU 26 Cb 0.01 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.85 2j94 h GLU 26 CO 0.00 0.74 -0.93 0.00 -1.00 0.00 0.00 179.01 177.82 2j94 h PRO 28 N 3.19 0.00 -0.01 0.00 0.13 -1.78 -2.73 132.00 130.80 2j94 h PRO 28 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2j94 h PRO 28 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2j94 h PRO 28 CO 0.64 0.00 -0.14 -2.67 -0.23 0.00 0.00 178.00 175.60 2j94 n TRP 29 N -2.33 0.00 -2.11 1.56 2.14 -0.97 -1.67 117.44 114.06 2j94 n TRP 29 Ca 0.03 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.18 2j94 n TRP 29 Cb 0.29 -0.11 -0.03 0.00 -0.81 0.00 0.00 31.31 30.64 2j94 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2j94 s GLN 30 N -2.37 4.31 0.29 -2.67 2.00 -1.03 -0.47 119.66 119.72 2j94 s GLN 30 Ca 0.30 2.16 0.12 0.00 -2.00 0.00 0.00 55.36 55.94 2j94 s GLN 30 Cb 0.20 -3.19 -0.05 0.00 0.80 0.00 0.00 33.01 30.76 2j94 s GLN 30 CO 0.46 -0.42 -0.17 0.00 -0.50 0.00 0.00 175.29 174.65 2j94 s ALA 31 N 0.68 2.80 -0.09 1.58 0.00 -0.50 -4.39 121.76 121.84 2j94 s ALA 31 Ca 0.63 -1.89 -0.00 0.00 0.00 0.00 0.00 51.96 50.69 2j94 s ALA 31 Cb -0.39 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.49 2j94 s ALA 31 CO 0.35 0.25 -0.06 -1.17 0.00 0.00 0.00 175.76 175.13 2j94 s LEU 32 N -3.53 1.08 -0.13 0.00 2.96 0.27 -2.13 118.68 117.21 2j94 s LEU 32 Ca 0.30 -0.22 -0.24 0.00 -0.22 0.00 0.00 54.13 53.75 2j94 s LEU 32 Cb -0.04 -0.69 -0.03 0.00 0.50 0.00 0.00 46.19 45.94 2j94 s LEU 32 CO 0.15 -0.12 0.76 -0.76 -1.32 0.00 0.00 176.35 175.07 2j94 s LEU 33 N 1.58 4.23 -0.03 -0.68 1.43 0.20 -0.31 118.68 125.11 2j94 s LEU 33 Ca 0.01 1.15 0.08 0.00 -1.03 0.00 0.00 54.13 54.34 2j94 s LEU 33 Cb -0.13 -3.14 -0.02 0.00 0.03 0.00 0.00 46.19 42.93 2j94 s LEU 33 CO -0.05 -0.26 -0.25 0.27 0.23 0.00 0.00 176.35 176.28 2j94 s ILE 34 N 1.54 2.01 0.55 -0.59 -4.36 -0.36 -1.34 121.20 118.64 2j94 s ILE 34 Ca 0.37 -1.08 -0.08 0.00 -0.26 0.00 0.00 60.65 59.60 2j94 s ILE 34 Cb -0.17 -1.67 0.12 0.00 1.25 0.00 0.00 42.46 41.99 2j94 s ILE 34 CO 0.15 0.57 0.75 -0.46 0.24 0.00 0.00 174.94 176.19 2j94 n ASN 35 N 2.54 0.24 -0.07 4.36 0.23 -0.59 -1.51 115.26 120.46 2j94 n ASN 35 Ca -0.16 -1.38 0.14 0.00 -0.53 0.00 0.00 54.58 52.64 2j94 n ASN 35 Cb 0.51 -0.56 0.54 0.00 -2.08 0.00 0.00 39.78 38.19 2j94 n ASN 35 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2j94 h GLU 36 N 0.00 0.31 -0.06 -3.83 5.08 -1.90 0.78 114.58 114.96 2j94 h GLU 36 Ca -0.24 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2j94 h GLU 36 Cb 0.72 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2j94 h GLU 36 CO 0.19 0.21 0.00 0.39 -1.00 0.00 0.00 179.01 178.80 2j94 n GLU 37 N -4.46 1.16 -1.84 2.33 1.02 -1.26 -4.88 120.64 112.70 2j94 n GLU 37 Ca 0.10 -0.24 -0.19 0.00 -0.02 0.00 0.00 57.16 56.81 2j94 n GLU 37 Cb 0.43 -1.15 -0.06 0.00 -0.02 0.00 0.00 31.44 30.64 2j94 n GLU 37 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2j94 n ASN 38 N -0.40 -5.36 -4.72 1.62 3.02 0.27 -5.00 115.26 104.70 2j94 n ASN 38 Ca 0.07 0.29 -0.37 0.00 -0.03 0.00 0.00 54.58 54.54 2j94 n ASN 38 Cb 0.08 -4.48 -0.07 0.00 -0.61 0.00 0.00 39.78 34.70 2j94 n ASN 38 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2j94 s GLU 39 N -4.09 4.25 0.22 3.52 2.02 -1.26 -4.82 118.70 118.54 2j94 s GLU 39 Ca 0.00 0.12 -0.30 0.00 0.02 0.00 0.00 54.97 54.81 2j94 s GLU 39 Cb 0.00 -3.44 -0.09 0.00 0.10 0.00 0.00 34.13 30.70 2j94 s GLU 39 CO 0.00 0.19 1.28 0.20 0.02 0.00 0.00 175.26 176.96 2j94 s GLY 40 N 0.57 2.59 0.00 -1.39 0.00 -1.26 -1.55 107.32 106.29 2j94 s GLY 40 Ca 0.17 1.09 0.00 0.00 0.00 0.00 0.00 44.72 45.98 2j94 s GLY 40 CO 0.05 1.99 0.00 1.97 0.00 0.00 0.00 173.10 177.10 2j94 n PHE 41 N 2.28 0.00 -3.63 1.90 1.16 -0.45 -4.95 117.46 113.77 2j94 n PHE 41 Ca 0.05 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.52 2j94 n PHE 41 Cb 0.43 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.27 2j94 n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2j94 n GLY 43 N -0.36 2.46 3.71 0.00 0.00 0.17 -0.62 105.19 110.55 2j94 n GLY 43 Ca -0.12 -2.23 -0.06 0.00 0.00 0.00 0.00 46.02 43.61 2j94 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2j94 s GLY 44 N -3.44 -0.27 -0.10 -0.02 0.00 -0.90 -3.51 107.32 99.07 2j94 s GLY 44 Ca 0.28 0.20 0.04 0.00 0.00 0.00 0.00 44.72 45.24 2j94 s GLY 44 CO 0.18 0.05 -0.24 -1.59 0.00 0.00 0.00 173.10 171.50 2j94 s THR 45 N -3.43 2.04 -0.09 0.90 2.01 0.15 -1.41 115.64 115.81 2j94 s THR 45 Ca 0.10 -1.01 -0.30 0.00 0.31 0.00 0.00 61.69 60.80 2j94 s THR 45 Cb -0.02 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 2j94 s THR 45 CO 0.00 0.56 1.58 -0.63 -0.69 0.00 0.00 174.62 175.44 2j94 s ILE 46 N 0.35 3.72 -0.13 1.82 1.01 0.38 -0.02 121.20 128.34 2j94 s ILE 46 Ca -0.19 0.87 0.18 0.00 0.00 0.00 0.00 60.65 61.51 2j94 s ILE 46 Cb -0.18 -3.58 -0.27 0.00 0.01 0.00 0.00 42.46 38.45 2j94 s ILE 46 CO 0.09 -0.10 0.21 0.18 0.00 0.00 0.00 174.94 175.32 2j94 n LEU 47 N 7.17 0.00 0.00 2.97 4.77 0.22 -1.51 117.00 130.62 2j94 n LEU 47 Ca 0.17 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.14 2j94 n LEU 47 Cb 0.43 0.30 0.02 0.00 -2.33 0.00 0.00 43.42 41.83 2j94 n LEU 47 CO 0.61 0.30 0.78 -1.54 -1.33 0.00 0.00 177.39 176.21 2j94 n SER 48 N -2.52 -1.30 0.26 -1.43 3.41 -1.13 -4.75 113.62 106.16 2j94 n SER 48 Ca -0.21 -1.56 0.12 0.00 -0.26 0.00 0.00 58.87 56.97 2j94 n SER 48 Cb 0.90 2.08 0.70 0.00 -0.26 0.00 0.00 64.21 67.63 2j94 n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2j94 h GLU 49 N 0.00 0.00 -0.00 4.33 4.11 -1.98 -3.02 114.58 118.01 2j94 h GLU 49 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.22 2j94 h GLU 49 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2j94 h GLU 49 CO 0.29 0.13 -0.40 1.19 0.07 0.00 0.00 179.01 180.28 2j94 n PHE 50 N -3.62 0.00 -4.79 2.06 3.72 -1.26 0.06 117.46 113.63 2j94 n PHE 50 Ca -0.02 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.13 2j94 n PHE 50 Cb 0.26 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.64 2j94 n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2j94 s TYR 51 N -1.82 1.63 -0.11 1.38 2.02 -1.14 -1.12 117.35 118.19 2j94 s TYR 51 Ca 0.07 -0.46 0.02 0.00 -0.37 0.00 0.00 57.07 56.33 2j94 s TYR 51 Cb 0.09 -1.10 -0.01 0.00 -0.40 0.00 0.00 41.96 40.54 2j94 s TYR 51 CO 0.39 -0.16 -0.20 0.42 -1.57 0.00 0.00 175.55 174.44 2j94 s ILE 52 N 0.04 2.47 -0.07 2.71 -1.09 -0.40 -0.61 121.20 124.26 2j94 s ILE 52 Ca -0.04 -0.87 -0.16 0.00 -2.23 0.00 0.00 60.65 57.35 2j94 s ILE 52 Cb -0.11 -1.98 -0.05 0.00 -1.58 0.00 0.00 42.46 38.74 2j94 s ILE 52 CO 0.02 0.55 0.43 -0.22 -1.23 0.00 0.00 174.94 174.49 2j94 s LEU 53 N 0.28 4.35 0.00 2.97 2.96 0.98 -0.64 118.68 129.58 2j94 s LEU 53 Ca -0.14 0.85 0.00 0.00 -0.22 0.00 0.00 54.13 54.62 2j94 s LEU 53 Cb -0.17 -2.63 0.00 0.00 0.50 0.00 0.00 46.19 43.90 2j94 s LEU 53 CO 0.07 0.14 0.38 1.07 -1.32 0.00 0.00 176.35 176.69 2j94 n THR 54 N 2.93 0.00 -3.24 3.68 5.66 0.08 0.34 114.28 123.73 2j94 n THR 54 Ca -0.10 -1.62 -0.37 0.00 -3.05 0.00 0.00 64.05 58.91 2j94 n THR 54 Cb 0.52 0.95 -0.06 0.00 -1.55 0.00 0.00 70.33 70.19 2j94 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2j94 s ALA 55 N -2.71 3.53 0.27 1.79 0.00 -1.26 -0.86 121.76 122.53 2j94 s ALA 55 Ca 0.26 0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 2j94 s ALA 55 Cb -0.00 -2.67 0.36 0.00 0.00 0.00 0.00 23.12 20.81 2j94 s ALA 55 CO 0.19 0.39 1.83 0.00 0.00 0.00 0.00 175.76 178.17 2j94 h ALA 56 N 3.91 1.20 0.00 0.00 0.00 -1.72 -2.72 119.26 119.93 2j94 h ALA 56 Ca -0.49 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 2j94 h ALA 56 Cb 1.20 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2j94 h ALA 56 CO 0.65 0.56 -0.03 1.12 0.00 0.00 0.00 179.25 181.56 2j94 h HIS 57 N 0.89 0.00 0.00 0.00 2.07 -1.93 -1.34 115.15 114.84 2j94 h HIS 57 Ca 0.20 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.68 2j94 h HIS 57 Cb 0.25 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.22 2j94 h HIS 57 CO 0.02 0.03 -0.19 0.00 -3.07 0.00 0.00 177.93 174.72 2j94 h LEU 59 N 0.00 0.27 -1.02 0.00 3.38 -1.36 -2.19 115.31 114.39 2j94 h LEU 59 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2j94 h LEU 59 Cb 0.53 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2j94 h LEU 59 CO 0.02 0.42 0.00 -1.22 0.09 0.00 0.00 178.44 177.75 2j94 n TYR 60 N -4.27 0.33 0.98 1.13 4.02 -1.16 -3.93 117.16 114.27 2j94 n TYR 60 Ca -0.00 -0.14 0.10 0.00 -0.01 0.00 0.00 57.90 57.85 2j94 n TYR 60 Cb 0.27 -0.08 -0.11 0.00 -0.02 0.00 0.00 39.34 39.40 2j94 n TYR 60 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2j94 n GLN 61 N 0.06 0.25 -3.65 -0.72 1.13 -0.82 -4.96 117.38 108.67 2j94 n GLN 61 Ca 0.06 -0.11 -0.14 0.00 -1.94 0.00 0.00 57.00 54.86 2j94 n GLN 61 Cb 0.28 -1.48 -0.07 0.00 0.11 0.00 0.00 30.24 29.08 2j94 n GLN 61 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2j94 s ALA 61 N -2.91 -1.16 -0.11 -1.58 0.00 -1.25 -5.08 121.76 109.67 2j94 s ALA 61 Ca 0.09 0.61 -0.19 0.00 0.00 0.00 0.00 51.96 52.47 2j94 s ALA 61 Cb 0.16 0.16 -0.16 0.00 0.00 0.00 0.00 23.12 23.28 2j94 s ALA 61 CO 0.82 -0.37 0.55 -0.22 0.00 0.00 0.00 175.76 176.54 2j94 h LYS 62 N 3.29 -0.03 -5.60 0.00 1.63 -1.93 -3.46 116.57 110.47 2j94 h LYS 62 Ca -0.29 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 58.96 2j94 h LYS 62 Cb 1.18 0.01 -0.30 0.00 -0.60 0.00 0.00 32.23 32.52 2j94 h LYS 62 CO 0.41 0.57 -0.84 1.03 -3.45 0.00 0.00 179.45 177.17 2j94 s ARG 63 N -2.21 1.50 0.09 1.90 0.52 -1.26 -5.13 118.95 114.35 2j94 s ARG 63 Ca -0.12 -0.62 -0.13 0.00 -0.52 0.00 0.00 55.73 54.34 2j94 s ARG 63 Cb -0.02 -1.41 0.02 0.00 0.52 0.00 0.00 34.95 34.06 2j94 s ARG 63 CO 0.44 0.35 0.30 -0.59 0.02 0.00 0.00 175.30 175.83 2j94 s PHE 64 N -0.32 -0.06 0.41 -0.53 -0.71 -1.26 -3.93 117.98 111.58 2j94 s PHE 64 Ca 0.05 -0.24 0.04 0.00 -1.04 0.00 0.00 56.93 55.73 2j94 s PHE 64 Cb -0.08 0.11 -0.05 0.00 -1.21 0.00 0.00 43.02 41.79 2j94 s PHE 64 CO -0.00 -0.59 0.04 0.15 -1.34 0.00 0.00 175.22 173.48 2j94 s LYS 65 N -3.46 1.94 -0.14 1.99 1.02 -0.57 -4.50 119.74 116.01 2j94 s LYS 65 Ca 0.01 -2.15 0.00 0.00 0.02 0.00 0.00 55.97 53.85 2j94 s LYS 65 Cb 0.02 -1.20 -0.01 0.00 -0.52 0.00 0.00 37.83 36.13 2j94 s LYS 65 CO -0.09 -0.26 -0.15 0.08 -0.92 0.00 0.00 175.35 174.02 2j94 s VAL 66 N -3.01 2.81 -0.11 3.17 1.01 0.50 -1.23 120.40 123.54 2j94 s VAL 66 Ca 0.25 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 2j94 s VAL 66 Cb 0.06 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 2j94 s VAL 66 CO 0.13 0.52 0.02 -0.60 0.00 0.00 0.00 175.10 175.17 2j94 s ARG 67 N 0.62 3.23 0.15 2.72 3.52 0.58 -0.16 118.95 129.62 2j94 s ARG 67 Ca -0.08 -0.37 0.04 0.00 -0.13 0.00 0.00 55.73 55.19 2j94 s ARG 67 Cb -0.16 -2.91 -0.04 0.00 -1.56 0.00 0.00 34.95 30.28 2j94 s ARG 67 CO 0.03 0.62 -0.08 0.14 -0.81 0.00 0.00 175.30 175.19 2j94 s VAL 68 N -0.63 1.08 -0.02 7.11 -7.23 -0.94 -0.57 120.40 119.20 2j94 s VAL 68 Ca 0.11 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 2j94 s VAL 68 Cb -0.12 -1.90 0.00 0.00 0.56 0.00 0.00 36.38 34.92 2j94 s VAL 68 CO 0.02 -0.70 0.00 0.61 -0.31 0.00 0.00 175.10 174.73 2j94 n GLY 69 N -0.21 0.36 3.68 2.32 0.00 -1.25 -1.61 105.19 108.48 2j94 n GLY 69 Ca -0.10 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 2j94 n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2j94 s ASP 70 N -2.02 6.19 -0.02 1.61 2.15 -1.26 -3.79 116.67 119.53 2j94 s ASP 70 Ca 0.00 0.20 0.07 0.00 0.43 0.00 0.00 52.55 53.26 2j94 s ASP 70 Cb 0.00 -2.12 -0.11 0.00 -0.30 0.00 0.00 42.92 40.39 2j94 s ASP 70 CO 0.00 0.08 0.14 0.54 -0.17 0.00 0.00 175.17 175.75 2j94 n ARG 71 N 4.10 0.77 -3.58 4.34 1.74 -1.26 -4.83 116.66 117.94 2j94 n ARG 71 Ca -0.14 -0.06 -0.29 0.00 -0.77 0.00 0.00 57.85 56.59 2j94 n ARG 71 Cb 0.52 -1.18 -0.15 0.00 -1.02 0.00 0.00 32.46 30.63 2j94 n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2j94 s ASN 72 N -3.08 3.48 0.00 0.55 2.47 -1.26 -0.33 114.94 116.77 2j94 s ASN 72 Ca -0.03 -1.26 0.09 0.00 0.42 0.00 0.00 52.86 52.08 2j94 s ASN 72 Cb 0.04 -0.42 0.54 0.00 -1.45 0.00 0.00 41.25 39.96 2j94 s ASN 72 CO 0.31 -0.42 1.00 0.35 -3.72 0.00 0.00 177.10 174.62 2j94 n THR 73 N 5.19 0.05 -0.09 -5.21 -2.24 -0.02 -2.25 114.28 109.71 2j94 n THR 73 Ca -0.06 0.01 -0.09 0.00 -2.27 0.00 0.00 64.05 61.65 2j94 n THR 73 Cb 0.43 -0.87 -0.16 0.00 -2.10 0.00 0.00 70.33 67.63 2j94 n THR 73 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2j94 n GLU 74 N -1.02 0.68 -3.23 -0.78 1.02 -1.26 -5.00 120.64 111.06 2j94 n GLU 74 Ca 0.07 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.03 2j94 n GLU 74 Cb 0.03 -1.54 -0.00 0.00 -0.02 0.00 0.00 31.44 29.91 2j94 n GLU 74 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2j94 s GLN 75 N -2.55 2.88 -0.36 3.49 -0.21 -0.95 -5.10 119.66 116.86 2j94 s GLN 75 Ca -0.09 -1.20 0.03 0.00 0.02 0.00 0.00 55.36 54.11 2j94 s GLN 75 Cb 0.07 -2.73 0.11 0.00 1.00 0.00 0.00 33.01 31.45 2j94 s GLN 75 CO 0.83 -0.15 0.10 -2.00 -2.12 0.00 0.00 175.29 171.95 2j94 s GLU 76 N -4.26 1.31 -0.28 2.91 2.56 -1.26 -4.84 118.70 114.84 2j94 s GLU 76 Ca 0.51 -1.75 0.04 0.00 0.00 0.00 0.00 54.97 53.76 2j94 s GLU 76 Cb -0.09 -2.83 0.47 0.00 2.00 0.00 0.00 34.13 33.67 2j94 s GLU 76 CO 0.32 -0.99 1.58 -1.91 -0.56 0.00 0.00 175.26 173.70 2j94 n GLU 77 N 4.24 2.10 0.00 4.30 4.07 -1.26 -4.94 120.64 129.15 2j94 n GLU 77 Ca 0.03 -2.04 0.00 0.00 -0.06 0.00 0.00 57.16 55.08 2j94 n GLU 77 Cb 0.40 -1.83 0.00 0.00 -0.06 0.00 0.00 31.44 29.96 2j94 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2j94 n GLY 78 N -0.47 1.42 0.05 8.31 0.00 -1.26 -4.72 105.19 108.52 2j94 n GLY 78 Ca 0.37 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.52 2j94 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j94 n GLY 79 N 0.00 -1.47 3.74 -0.02 0.00 -1.26 -4.94 105.19 101.24 2j94 n GLY 79 Ca 0.00 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 2j94 n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j94 s GLU 80 N -3.09 2.57 -0.27 1.61 8.01 -1.25 -4.56 118.70 121.72 2j94 s GLU 80 Ca 0.10 1.67 -0.13 0.00 0.01 0.00 0.00 54.97 56.62 2j94 s GLU 80 Cb 0.15 -1.90 0.09 0.00 -4.31 0.00 0.00 34.13 28.17 2j94 s GLU 80 CO 0.65 -1.48 0.64 0.00 0.01 0.00 0.00 175.26 175.08 2j94 s ALA 81 N -1.97 -1.82 0.02 5.21 0.00 -0.63 -4.99 121.76 117.57 2j94 s ALA 81 Ca 0.73 2.28 -0.18 0.00 0.00 0.00 0.00 51.96 54.79 2j94 s ALA 81 Cb -0.27 -1.48 -0.06 0.00 0.00 0.00 0.00 23.12 21.31 2j94 s ALA 81 CO 0.40 -0.55 0.53 0.08 0.00 0.00 0.00 175.76 176.22 2j94 s VAL 82 N 2.04 4.89 -0.04 0.00 1.01 -1.26 -2.22 120.40 124.81 2j94 s VAL 82 Ca -0.08 1.11 0.03 0.00 0.00 0.00 0.00 61.98 63.03 2j94 s VAL 82 Cb -0.08 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.46 2j94 s VAL 82 CO -0.19 0.51 -0.11 -1.00 0.00 0.00 0.00 175.10 174.31 2j94 s HIS 83 N -0.74 1.20 0.44 5.22 3.76 0.78 -4.97 115.29 120.98 2j94 s HIS 83 Ca 0.28 -0.36 -0.21 0.00 -0.15 0.00 0.00 55.06 54.62 2j94 s HIS 83 Cb -0.18 -0.87 -0.10 0.00 1.11 0.00 0.00 32.58 32.54 2j94 s HIS 83 CO 0.16 -0.17 0.99 -1.21 -0.85 0.00 0.00 174.74 173.66 2j94 s GLU 84 N 0.37 4.09 -0.14 1.40 2.02 -1.26 -0.37 118.70 124.80 2j94 s GLU 84 Ca -0.07 1.23 -0.19 0.00 0.02 0.00 0.00 54.97 55.96 2j94 s GLU 84 Cb -0.12 -2.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.89 2j94 s GLU 84 CO 0.02 -0.17 0.52 0.08 0.02 0.00 0.00 175.26 175.72 2j94 s VAL 85 N -2.06 5.15 -0.22 2.63 1.01 -1.26 -1.75 120.40 123.89 2j94 s VAL 85 Ca 0.63 1.01 -0.18 0.00 0.00 0.00 0.00 61.98 63.44 2j94 s VAL 85 Cb -0.13 -3.85 -0.15 0.00 0.00 0.00 0.00 36.38 32.25 2j94 s VAL 85 CO 0.16 0.27 0.01 1.21 0.00 0.00 0.00 175.10 176.75 2j94 n GLU 86 N 4.04 0.56 -4.73 2.72 2.13 0.11 -4.74 120.64 120.74 2j94 n GLU 86 Ca -0.06 0.48 -0.26 0.00 0.66 0.00 0.00 57.16 57.98 2j94 n GLU 86 Cb 0.51 -1.67 -0.17 0.00 0.27 0.00 0.00 31.44 30.39 2j94 n GLU 86 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2j94 s VAL 87 N -2.41 1.33 -0.23 6.31 1.01 -0.67 -4.99 120.40 120.74 2j94 s VAL 87 Ca -0.30 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 2j94 s VAL 87 Cb 0.08 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 2j94 s VAL 87 CO 0.52 0.40 0.09 -0.69 0.00 0.00 0.00 175.10 175.42 2j94 s VAL 88 N 0.51 4.64 -0.36 2.92 1.01 -1.26 -0.77 120.40 127.08 2j94 s VAL 88 Ca -0.14 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 61.81 2j94 s VAL 88 Cb -0.15 -3.15 0.10 0.00 0.00 0.00 0.00 36.38 33.18 2j94 s VAL 88 CO 0.04 0.36 0.08 -0.63 0.00 0.00 0.00 175.10 174.95 2j94 s ILE 89 N 1.27 2.17 0.02 2.22 1.01 0.16 -5.03 121.20 123.01 2j94 s ILE 89 Ca 0.05 -2.37 -0.11 0.00 0.00 0.00 0.00 60.65 58.22 2j94 s ILE 89 Cb -0.14 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 2j94 s ILE 89 CO 0.04 -0.63 0.36 -0.75 0.00 0.00 0.00 174.94 173.96 2j94 s LYS 90 N 0.83 3.77 0.18 2.79 2.20 -1.26 -0.83 119.74 127.41 2j94 s LYS 90 Ca 0.12 0.21 -0.31 0.00 -0.36 0.00 0.00 55.97 55.62 2j94 s LYS 90 Cb -0.20 -3.11 -0.10 0.00 -1.51 0.00 0.00 37.83 32.91 2j94 s LYS 90 CO -0.09 0.65 1.53 -1.58 -0.36 0.00 0.00 175.35 175.50 2j94 s HIS 91 N -1.22 3.07 -0.42 4.03 5.65 -0.75 -4.86 115.29 120.78 2j94 s HIS 91 Ca 0.27 0.72 0.21 0.00 0.25 0.00 0.00 55.06 56.51 2j94 s HIS 91 Cb -0.15 -3.89 0.99 0.00 -1.18 0.00 0.00 32.58 28.35 2j94 s HIS 91 CO 0.14 -3.21 1.64 0.27 -0.65 0.00 0.00 174.74 172.93 2j94 n ASN 92 N 3.66 0.56 -1.03 9.88 0.23 -1.26 -2.22 115.26 125.09 2j94 n ASN 92 Ca 0.12 0.69 0.12 0.00 -0.53 0.00 0.00 54.58 54.98 2j94 n ASN 92 Cb 0.39 -0.79 0.15 0.00 -2.08 0.00 0.00 39.78 37.46 2j94 n ASN 92 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2j94 n ARG 93 N -2.17 2.35 -1.67 -3.83 1.74 -1.26 -4.98 116.66 106.83 2j94 n ARG 93 Ca 0.01 -2.08 -0.45 0.00 -0.77 0.00 0.00 57.85 54.56 2j94 n ARG 93 Cb 0.13 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 2j94 n ARG 93 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2j94 n PHE 94 N 1.38 2.22 -4.18 -1.55 7.35 -0.94 -4.66 117.46 117.08 2j94 n PHE 94 Ca 0.16 0.38 -0.24 0.00 -0.76 0.00 0.00 57.45 56.99 2j94 n PHE 94 Cb 0.59 -2.49 -0.17 0.00 0.35 0.00 0.00 39.48 37.76 2j94 n PHE 94 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2j94 s THR 95 N 0.23 0.90 0.08 -2.13 -4.23 -1.08 -5.02 115.64 104.39 2j94 s THR 95 Ca 0.71 -0.28 0.32 0.00 -1.18 0.00 0.00 61.69 61.26 2j94 s THR 95 Cb -0.65 -0.89 0.34 0.00 1.34 0.00 0.00 72.50 72.63 2j94 s THR 95 CO 0.46 0.32 1.97 0.11 -0.54 0.00 0.00 174.62 176.95 2j94 h LYS 96 N 7.56 0.00 -0.31 3.99 1.57 -1.94 0.15 116.57 127.59 2j94 h LYS 96 Ca -0.31 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.38 2j94 h LYS 96 Cb 1.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 2j94 h LYS 96 CO 0.43 0.00 -0.15 0.93 -0.57 0.00 0.00 179.45 180.09 2j94 h GLU 97 N 0.00 0.65 0.00 3.15 3.07 -1.97 -3.36 114.58 116.12 2j94 h GLU 97 Ca 0.00 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 2j94 h GLU 97 Cb 0.21 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 2j94 h GLU 97 CO 0.00 0.87 0.00 0.25 -1.40 0.00 0.00 179.01 178.73 2j94 n THR 98 N -4.38 0.00 -2.31 1.13 -2.24 -1.18 -5.01 114.28 100.28 2j94 n THR 98 Ca -0.03 -0.41 -0.21 0.00 -2.27 0.00 0.00 64.05 61.13 2j94 n THR 98 Cb 0.38 1.07 -0.02 0.00 -2.10 0.00 0.00 70.33 69.66 2j94 n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2j94 n TYR 99 N -0.50 -0.88 -2.45 4.78 4.02 0.51 -4.96 117.16 117.68 2j94 n TYR 99 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.53 2j94 n TYR 99 Cb 0.02 -3.89 -0.03 0.00 -0.02 0.00 0.00 39.34 35.42 2j94 n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2j94 s ASP 100 N -2.14 6.46 -1.33 7.72 2.15 -1.24 -3.44 116.67 124.85 2j94 s ASP 100 Ca 0.00 2.10 -0.07 0.00 0.43 0.00 0.00 52.55 55.01 2j94 s ASP 100 Cb 0.00 -2.59 0.01 0.00 -0.30 0.00 0.00 42.92 40.05 2j94 s ASP 100 CO 0.00 -0.71 1.13 0.49 -0.17 0.00 0.00 175.17 175.91 2j94 n PHE 101 N -0.42 -2.70 -2.73 -5.34 3.01 -1.26 -2.64 117.46 105.38 2j94 n PHE 101 Ca 0.07 0.99 -0.43 0.00 1.01 0.00 0.00 57.45 59.09 2j94 n PHE 101 Cb 0.50 -5.00 0.00 0.00 -0.01 0.00 0.00 39.48 34.97 2j94 n PHE 101 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2j94 n ASP 102 N -3.04 5.06 -3.69 4.37 2.03 -1.22 -4.11 116.55 115.95 2j94 n ASP 102 Ca -0.06 -2.95 -0.13 0.00 0.52 0.00 0.00 54.79 52.17 2j94 n ASP 102 Cb 0.59 -1.67 -0.09 0.00 -0.72 0.00 0.00 41.12 39.23 2j94 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2j94 s ILE 103 N 3.04 -0.00 0.05 5.18 2.07 -1.26 -4.10 121.20 126.19 2j94 s ILE 103 Ca 0.49 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.60 2j94 s ILE 103 Cb 0.01 -0.74 0.02 0.00 0.13 0.00 0.00 42.46 41.88 2j94 s ILE 103 CO 0.04 0.00 0.29 0.00 -1.91 0.00 0.00 174.94 173.36 2j94 s ALA 104 N 0.29 -0.61 -0.02 1.50 0.00 -0.04 -1.81 121.76 121.07 2j94 s ALA 104 Ca -0.00 -0.10 0.05 0.00 0.00 0.00 0.00 51.96 51.91 2j94 s ALA 104 Cb -0.04 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 2j94 s ALA 104 CO 0.01 -0.43 -0.18 0.08 0.00 0.00 0.00 175.76 175.23 2j94 s VAL 105 N -2.79 1.45 -0.13 0.00 1.01 -0.01 -0.74 120.40 119.19 2j94 s VAL 105 Ca -0.03 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 2j94 s VAL 105 Cb -0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 2j94 s VAL 105 CO -0.05 0.41 -0.13 -0.76 0.00 0.00 0.00 175.10 174.57 2j94 s LEU 106 N -0.28 2.68 -0.23 3.92 1.43 0.19 -0.67 118.68 125.72 2j94 s LEU 106 Ca 0.04 -0.34 -0.10 0.00 -1.03 0.00 0.00 54.13 52.69 2j94 s LEU 106 Cb -0.09 -1.60 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 2j94 s LEU 106 CO 0.00 0.16 0.14 -0.60 0.23 0.00 0.00 176.35 176.28 2j94 s ARG 107 N 0.39 4.05 0.50 1.70 3.52 0.05 -1.27 118.95 127.89 2j94 s ARG 107 Ca -0.11 -0.28 -0.08 0.00 -0.13 0.00 0.00 55.73 55.12 2j94 s ARG 107 Cb -0.16 -3.46 -0.05 0.00 -1.56 0.00 0.00 34.95 29.72 2j94 s ARG 107 CO 0.05 0.12 0.86 -0.51 -0.81 0.00 0.00 175.30 175.01 2j94 s LEU 108 N 0.88 3.57 0.15 -0.88 1.43 -0.28 0.10 118.68 123.64 2j94 s LEU 108 Ca 0.07 1.13 -0.06 0.00 -1.03 0.00 0.00 54.13 54.24 2j94 s LEU 108 Cb -0.13 -4.09 -0.03 0.00 0.03 0.00 0.00 46.19 41.96 2j94 s LEU 108 CO 0.03 -0.62 1.38 0.11 0.23 0.00 0.00 176.35 177.48 2j94 h LYS 109 N 0.33 0.58 -6.21 1.70 1.57 -1.63 -3.40 116.57 109.50 2j94 h LYS 109 Ca -0.46 -0.47 -0.60 0.00 -1.87 0.00 0.00 60.65 57.25 2j94 h LYS 109 Cb 1.20 0.10 -0.26 0.00 0.08 0.00 0.00 32.23 33.35 2j94 h LYS 109 CO 0.62 1.09 -0.85 0.95 -0.57 0.00 0.00 179.45 180.70 2j94 s THR 110 N -3.69 1.75 0.38 -0.16 -4.23 -1.26 -5.03 115.64 103.40 2j94 s THR 110 Ca -0.08 -1.25 -0.25 0.00 -1.18 0.00 0.00 61.69 58.93 2j94 s THR 110 Cb 0.10 -1.52 -0.09 0.00 1.34 0.00 0.00 72.50 72.32 2j94 s THR 110 CO 0.87 0.22 1.08 -2.16 -0.54 0.00 0.00 174.62 174.09 2j94 s PRO 111 N -1.22 4.21 0.26 3.99 0.04 -1.26 -4.88 135.00 136.13 2j94 s PRO 111 Ca 0.08 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.43 2j94 s PRO 111 Cb -0.09 -2.65 -0.09 0.00 0.04 0.00 0.00 34.50 31.70 2j94 s PRO 111 CO 0.02 -0.13 1.26 0.42 0.04 0.00 0.00 177.00 178.61 2j94 s ILE 112 N -1.55 3.10 -0.33 0.56 1.01 0.11 -5.01 121.20 119.09 2j94 s ILE 112 Ca 0.56 1.01 -0.15 0.00 0.00 0.00 0.00 60.65 62.07 2j94 s ILE 112 Cb -0.25 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 2j94 s ILE 112 CO 0.31 0.21 0.38 -0.89 0.00 0.00 0.00 174.94 174.95 2j94 s THR 113 N -0.63 5.15 0.35 2.92 2.01 -1.26 -4.74 115.64 119.44 2j94 s THR 113 Ca 0.51 0.16 -0.26 0.00 0.31 0.00 0.00 61.69 62.40 2j94 s THR 113 Cb -0.37 -3.82 -0.09 0.00 0.01 0.00 0.00 72.50 68.23 2j94 s THR 113 CO 0.44 -0.07 1.08 -0.36 -0.69 0.00 0.00 174.62 175.02 2j94 s PHE 114 N 2.07 3.38 0.11 4.92 0.08 -1.26 -4.89 117.98 122.39 2j94 s PHE 114 Ca 0.13 1.66 -0.12 0.00 0.12 0.00 0.00 56.93 58.72 2j94 s PHE 114 Cb -0.16 -3.22 0.04 0.00 -0.57 0.00 0.00 43.02 39.11 2j94 s PHE 114 CO 0.12 -0.67 0.60 2.89 -0.10 0.00 0.00 175.22 178.05 2j94 n ARG 115 N 0.48 0.39 -1.65 0.44 1.85 -0.35 -5.00 116.66 112.83 2j94 n ARG 115 Ca 0.02 -0.88 -0.46 0.00 -1.00 0.00 0.00 57.85 55.52 2j94 n ARG 115 Cb 0.47 1.19 -0.03 0.00 -1.05 0.00 0.00 32.46 33.04 2j94 n ARG 115 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 2j94 n MET 116 N -0.42 1.82 -0.81 2.89 0.00 -1.26 -0.19 117.12 119.15 2j94 n MET 116 Ca -0.01 0.65 0.00 0.00 -0.00 0.00 0.00 57.70 58.34 2j94 n MET 116 Cb 0.34 -2.30 0.00 0.00 0.00 0.00 0.00 33.22 31.26 2j94 n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2j94 n ASN 117 N 2.42 -0.37 -3.67 6.12 3.02 -1.26 -4.95 115.26 116.56 2j94 n ASN 117 Ca 0.14 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.40 2j94 n ASN 117 Cb 0.29 -1.11 -0.15 0.00 -0.61 0.00 0.00 39.78 38.19 2j94 n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2j94 s VAL 118 N -2.64 0.47 -0.04 2.41 1.01 0.73 -3.87 120.40 118.47 2j94 s VAL 118 Ca 0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 2j94 s VAL 118 Cb 0.00 -1.27 0.08 0.00 0.00 0.00 0.00 36.38 35.18 2j94 s VAL 118 CO 0.00 -0.57 0.72 0.00 0.00 0.00 0.00 175.10 175.24 2j94 s ALA 119 N 1.84 -1.78 0.52 5.51 0.00 -0.67 -1.21 121.76 125.97 2j94 s ALA 119 Ca 0.07 1.27 -0.16 0.00 0.00 0.00 0.00 51.96 53.14 2j94 s ALA 119 Cb -0.17 -0.00 -0.08 0.00 0.00 0.00 0.00 23.12 22.87 2j94 s ALA 119 CO -0.24 -0.40 0.99 -1.25 0.00 0.00 0.00 175.76 174.85 2j94 s PRO 120 N -1.44 3.93 0.36 0.00 0.04 -1.26 -2.30 135.00 134.33 2j94 s PRO 120 Ca -0.09 0.94 -0.07 0.00 0.04 0.00 0.00 61.00 61.83 2j94 s PRO 120 Cb -0.00 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 2j94 s PRO 120 CO 0.07 -0.28 0.67 0.00 0.04 0.00 0.00 177.00 177.49 2j94 s ALA 121 N -2.65 3.49 0.25 8.56 0.00 -0.57 -4.84 121.76 126.00 2j94 s ALA 121 Ca 0.59 -0.41 -0.24 0.00 0.00 0.00 0.00 51.96 51.89 2j94 s ALA 121 Cb -0.10 -2.49 -0.09 0.00 0.00 0.00 0.00 23.12 20.44 2j94 s ALA 121 CO 0.32 0.06 0.84 0.00 0.00 0.00 0.00 175.76 176.98 2j94 s LEU 123 N -1.80 4.26 0.71 0.00 1.43 -1.26 -0.26 118.68 121.76 2j94 s LEU 123 Ca 0.44 0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 54.38 2j94 s LEU 123 Cb -0.19 -2.77 0.11 0.00 0.03 0.00 0.00 46.19 43.37 2j94 s LEU 123 CO 0.24 -0.05 0.98 -2.16 0.23 0.00 0.00 176.35 175.59 2j94 s PRO 124 N 0.82 1.79 0.20 1.29 0.04 -1.26 -4.98 135.00 132.90 2j94 s PRO 124 Ca 0.28 -0.96 -0.18 0.00 0.04 0.00 0.00 61.00 60.18 2j94 s PRO 124 Cb -0.16 -2.31 -0.08 0.00 0.04 0.00 0.00 34.50 31.99 2j94 s PRO 124 CO 0.11 -1.38 0.66 -1.21 0.04 0.00 0.00 177.00 175.23 2j94 s GLU 124 N -5.13 4.15 0.07 4.56 2.02 -1.26 -4.97 118.70 118.13 2j94 s GLU 124 Ca 0.65 0.73 -0.23 0.00 0.02 0.00 0.00 54.97 56.13 2j94 s GLU 124 Cb -0.06 -2.88 -0.10 0.00 0.10 0.00 0.00 34.13 31.18 2j94 s GLU 124 CO 0.44 0.42 1.37 -0.09 0.02 0.00 0.00 175.26 177.42 2j94 h ARG 125 N 3.43 -0.51 -0.39 1.61 2.43 -1.98 0.68 114.38 119.65 2j94 h ARG 125 Ca -0.48 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 58.73 2j94 h ARG 125 Cb 1.19 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.84 2j94 h ARG 125 CO 0.65 -0.34 0.25 -0.44 -1.51 0.00 0.00 179.97 178.59 2j94 h ASP 126 N -0.53 0.43 -0.67 -3.80 3.32 -1.95 -0.15 116.42 113.07 2j94 h ASP 126 Ca -0.01 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2j94 h ASP 126 Cb 0.52 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 2j94 h ASP 126 CO -0.18 0.31 0.33 -0.25 -1.72 0.00 0.00 179.24 177.74 2j94 h TRP 127 N 0.52 0.96 -0.39 4.55 7.01 -1.98 -1.32 115.95 125.29 2j94 h TRP 127 Ca 0.15 -0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.13 2j94 h TRP 127 Cb -0.05 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 26.68 2j94 h TRP 127 CO -0.05 0.71 0.19 0.00 -2.79 0.00 0.00 178.44 176.50 2j94 h ALA 128 N 1.16 0.48 -0.56 2.65 0.00 -0.29 0.35 119.26 123.04 2j94 h ALA 128 Ca 0.23 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 2j94 h ALA 128 Cb 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2j94 h ALA 128 CO -0.03 -0.17 0.13 0.93 0.00 0.00 0.00 179.25 180.12 2j94 h GLU 129 N 0.40 0.90 0.00 0.00 5.08 -0.79 0.60 114.58 120.77 2j94 h GLU 129 Ca 0.16 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 2j94 h GLU 129 Cb 0.07 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2j94 h GLU 129 CO -0.11 0.84 -0.89 0.66 -1.00 0.00 0.00 179.01 178.51 2j94 h SER 130 N 0.81 0.00 0.00 1.42 4.64 -1.11 -3.37 113.55 115.94 2j94 h SER 130 Ca 0.18 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.28 2j94 h SER 130 Cb 0.35 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.40 2j94 h SER 130 CO 0.00 0.50 -1.81 0.41 -0.87 0.00 0.00 176.83 175.06 2j94 n THR 131 N -3.06 0.81 -0.05 2.95 -1.04 0.12 -4.49 114.28 109.53 2j94 n THR 131 Ca -0.03 -0.30 -0.20 0.00 -2.04 0.00 0.00 64.05 61.49 2j94 n THR 131 Cb 0.77 -1.10 -0.13 0.00 -1.82 0.00 0.00 70.33 68.04 2j94 n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2j94 h LEU 131 N -0.08 0.14 0.00 -4.42 3.38 -1.00 -3.34 115.31 109.99 2j94 h LEU 131 Ca -0.33 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 56.89 2j94 h LEU 131 Cb 1.47 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2j94 h LEU 131 CO -0.08 1.42 0.00 0.23 0.09 0.00 0.00 178.44 180.10 2j94 n MET 131 N -4.28 0.79 -0.08 1.13 2.81 -0.37 -1.61 117.12 115.51 2j94 n MET 131 Ca -0.24 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 55.73 2j94 n MET 131 Cb 0.71 -1.50 0.12 0.00 -0.71 0.00 0.00 33.22 31.84 2j94 n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2j94 n THR 132 N -1.03 0.33 -1.44 2.03 -2.24 -1.26 -4.97 114.28 105.70 2j94 n THR 132 Ca 0.19 -0.66 -0.29 0.00 -2.27 0.00 0.00 64.05 61.02 2j94 n THR 132 Cb 0.10 1.06 0.13 0.00 -2.10 0.00 0.00 70.33 69.52 2j94 n THR 132 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2j94 s GLN 133 N -1.21 1.21 0.10 -0.78 -1.52 -0.63 -4.96 119.66 111.86 2j94 s GLN 133 Ca 0.23 0.45 -0.15 0.00 -1.95 0.00 0.00 55.36 53.94 2j94 s GLN 133 Cb 0.14 -1.83 -0.09 0.00 -0.22 0.00 0.00 33.01 31.01 2j94 s GLN 133 CO 0.21 -2.18 1.42 0.87 -0.25 0.00 0.00 175.29 175.35 2j94 h LYS 134 N -1.49 0.67 -4.58 2.91 1.57 -1.93 -3.43 116.57 110.29 2j94 h LYS 134 Ca -0.50 -0.35 -0.23 0.00 -1.87 0.00 0.00 60.65 57.70 2j94 h LYS 134 Cb 1.31 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 33.48 2j94 h LYS 134 CO 0.60 0.95 -0.64 0.95 -0.57 0.00 0.00 179.45 180.74 2j94 s THR 135 N -4.39 0.24 0.43 -0.16 -4.23 -1.26 -1.22 115.64 105.05 2j94 s THR 135 Ca -0.13 -1.95 0.03 0.00 -1.18 0.00 0.00 61.69 58.47 2j94 s THR 135 Cb 0.08 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.69 2j94 s THR 135 CO 0.82 -0.31 0.12 0.61 -0.54 0.00 0.00 174.62 175.32 2j94 n GLY 136 N -0.20 3.28 3.05 3.99 0.00 -0.41 -4.70 105.19 110.19 2j94 n GLY 136 Ca -0.03 -2.16 -0.27 0.00 0.00 0.00 0.00 46.02 43.55 2j94 n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j94 s ILE 137 N -3.07 1.34 0.09 -0.61 1.01 0.11 -0.62 121.20 119.45 2j94 s ILE 137 Ca 0.17 -0.57 0.07 0.00 0.00 0.00 0.00 60.65 60.32 2j94 s ILE 137 Cb 0.01 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 2j94 s ILE 137 CO 0.12 0.41 -0.11 0.54 0.00 0.00 0.00 174.94 175.90 2j94 s VAL 138 N 0.82 3.29 0.14 2.92 0.11 -0.64 -0.79 120.40 126.25 2j94 s VAL 138 Ca -0.11 -1.24 -0.09 0.00 -2.93 0.00 0.00 61.98 57.61 2j94 s VAL 138 Cb -0.15 -2.51 -0.00 0.00 -1.53 0.00 0.00 36.38 32.18 2j94 s VAL 138 CO 0.02 0.16 0.27 -0.94 -3.33 0.00 0.00 175.10 171.28 2j94 s SER 139 N -2.05 0.04 0.00 3.54 1.04 -1.08 -1.20 113.70 113.99 2j94 s SER 139 Ca 0.20 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.85 2j94 s SER 139 Cb -0.11 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2j94 s SER 139 CO 0.12 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.10 2j94 n GLY 140 N -0.18 -0.17 1.65 7.32 0.00 -0.12 -4.20 105.19 109.50 2j94 n GLY 140 Ca -0.10 -1.17 0.08 0.00 0.00 0.00 0.00 46.02 44.83 2j94 n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2j94 n PHE 141 N -0.73 1.70 -0.82 1.61 3.72 -1.26 -1.54 117.46 120.14 2j94 n PHE 141 Ca 0.00 -0.69 -0.26 0.00 -0.05 0.00 0.00 57.45 56.45 2j94 n PHE 141 Cb 0.00 -0.38 0.22 0.00 -0.94 0.00 0.00 39.48 38.39 2j94 n PHE 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2j94 n GLY 142 N 0.71 -2.96 3.72 1.37 0.00 -1.26 -1.57 105.19 105.19 2j94 n GLY 142 Ca 0.26 -1.45 -0.39 0.00 0.00 0.00 0.00 46.02 44.45 2j94 n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j94 n ARG 143 N -4.54 1.58 0.00 1.61 1.74 0.23 -2.13 116.66 115.15 2j94 n ARG 143 Ca 0.13 0.58 0.12 0.00 -0.77 0.00 0.00 57.85 57.91 2j94 n ARG 143 Cb 0.51 -2.48 0.29 0.00 -1.02 0.00 0.00 32.46 29.75 2j94 n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2j94 n THR 144 N -1.05 0.00 -3.65 0.55 -2.24 -1.24 -1.40 114.28 105.25 2j94 n THR 144 Ca 0.11 -0.13 -0.15 0.00 -2.27 0.00 0.00 64.05 61.61 2j94 n THR 144 Cb 0.44 0.53 -0.07 0.00 -2.10 0.00 0.00 70.33 69.13 2j94 n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2j94 s HIS 145 N -2.58 -0.43 0.27 4.78 3.76 -1.26 -4.37 115.29 115.46 2j94 s HIS 145 Ca 0.21 0.77 -0.03 0.00 -0.15 0.00 0.00 55.06 55.86 2j94 s HIS 145 Cb 0.19 0.25 0.57 0.00 1.11 0.00 0.00 32.58 34.69 2j94 s HIS 145 CO 0.56 -0.48 1.62 1.49 -0.85 0.00 0.00 174.74 177.09 2j94 h GLU 147 N 3.64 0.10 -0.09 1.40 4.81 -1.89 -1.99 114.58 120.56 2j94 h GLU 147 Ca -0.28 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2j94 h GLU 147 Cb 1.16 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2j94 h GLU 147 CO 0.37 0.06 0.00 1.63 -0.73 0.00 0.00 179.01 180.34 2j94 n LYS 148 N -5.36 1.88 -0.04 1.92 5.02 -1.26 -4.96 118.16 115.35 2j94 n LYS 148 Ca 0.18 -1.29 0.00 0.00 -2.02 0.00 0.00 58.31 55.17 2j94 n LYS 148 Cb 0.59 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 2j94 n LYS 148 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2j94 n GLY 149 N 1.23 -0.38 3.80 0.72 0.00 -0.75 -5.12 105.19 104.69 2j94 n GLY 149 Ca 0.17 -1.71 -0.22 0.00 0.00 0.00 0.00 46.02 44.26 2j94 n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2j94 s ARG 150 N -0.26 2.83 0.62 1.61 1.70 -1.26 -4.93 118.95 119.27 2j94 s ARG 150 Ca 0.00 -1.11 -0.17 0.00 -0.47 0.00 0.00 55.73 53.98 2j94 s ARG 150 Cb 0.00 -2.51 -0.06 0.00 -0.57 0.00 0.00 34.95 31.81 2j94 s ARG 150 CO 0.00 0.39 0.62 1.04 -1.08 0.00 0.00 175.30 176.27 2j94 n GLN 151 N -1.14 0.52 -2.66 3.89 1.13 -1.26 -3.72 117.38 114.13 2j94 n GLN 151 Ca -0.08 0.21 -0.37 0.00 -1.94 0.00 0.00 57.00 54.83 2j94 n GLN 151 Cb 0.58 -1.84 -0.05 0.00 0.11 0.00 0.00 30.24 29.04 2j94 n GLN 151 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2j94 s SER 152 N -1.29 7.09 0.00 1.08 0.15 -0.61 -4.87 113.70 115.25 2j94 s SER 152 Ca 0.70 1.95 0.25 0.00 0.70 0.00 0.00 55.95 59.54 2j94 s SER 152 Cb -0.41 -2.58 0.47 0.00 -1.71 0.00 0.00 66.02 61.78 2j94 s SER 152 CO 0.54 -0.25 1.38 0.35 1.20 0.00 0.00 173.24 176.46 2j94 n THR 153 N 0.33 0.00 -4.82 6.45 -2.24 -1.26 -4.78 114.28 107.96 2j94 n THR 153 Ca 0.03 -0.09 -0.33 0.00 -2.27 0.00 0.00 64.05 61.39 2j94 n THR 153 Cb 0.50 0.54 -0.14 0.00 -2.10 0.00 0.00 70.33 69.13 2j94 n THR 153 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2j94 s ARG 154 N -2.70 3.06 0.12 -0.78 1.81 -1.26 -0.84 118.95 118.36 2j94 s ARG 154 Ca 0.18 -0.69 -0.31 0.00 -1.72 0.00 0.00 55.73 53.19 2j94 s ARG 154 Cb 0.18 -2.54 -0.09 0.00 -0.45 0.00 0.00 34.95 32.05 2j94 s ARG 154 CO 0.62 0.37 1.62 -1.17 -0.68 0.00 0.00 175.30 176.05 2j94 s LEU 155 N -0.05 4.37 0.30 2.53 2.96 0.55 -4.71 118.68 124.63 2j94 s LEU 155 Ca -0.03 2.56 0.10 0.00 -0.22 0.00 0.00 54.13 56.54 2j94 s LEU 155 Cb -0.14 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 2j94 s LEU 155 CO 0.04 -0.86 -0.05 -0.54 -1.32 0.00 0.00 176.35 173.62 2j94 s LYS 156 N 1.91 2.04 0.08 1.98 1.02 -0.59 -1.33 119.74 124.84 2j94 s LYS 156 Ca 0.72 -1.66 0.00 0.00 0.02 0.00 0.00 55.97 55.06 2j94 s LYS 156 Cb -0.42 -1.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.90 2j94 s LYS 156 CO 0.32 0.25 -0.05 0.00 -0.92 0.00 0.00 175.35 174.95 2j94 s MET 157 N -3.65 0.73 -0.26 1.68 0.23 0.33 -0.94 119.30 117.42 2j94 s MET 157 Ca 0.33 -1.28 -0.14 0.00 -1.03 0.00 0.00 55.69 53.56 2j94 s MET 157 Cb -0.03 -0.01 0.08 0.00 -1.53 0.00 0.00 34.83 33.33 2j94 s MET 157 CO 0.18 -0.06 0.62 -1.17 -2.03 0.00 0.00 175.02 172.57 2j94 s LEU 158 N -2.98 -0.77 -0.02 0.18 2.96 -0.34 -1.36 118.68 116.36 2j94 s LEU 158 Ca 0.09 1.38 -0.30 0.00 -0.22 0.00 0.00 54.13 55.08 2j94 s LEU 158 Cb 0.06 2.15 -0.03 0.00 0.50 0.00 0.00 46.19 48.87 2j94 s LEU 158 CO -0.07 -0.23 1.10 -0.70 -1.32 0.00 0.00 176.35 175.13 2j94 s GLU 159 N 1.64 4.45 -0.12 1.98 2.12 -1.26 -1.63 118.70 125.88 2j94 s GLU 159 Ca -0.10 1.57 0.01 0.00 0.36 0.00 0.00 54.97 56.81 2j94 s GLU 159 Cb -0.06 -3.47 0.02 0.00 0.26 0.00 0.00 34.13 30.88 2j94 s GLU 159 CO -0.18 -0.26 -0.12 0.14 -0.54 0.00 0.00 175.26 174.30 2j94 s VAL 160 N 1.52 1.35 0.45 3.70 -7.23 0.21 -4.97 120.40 115.43 2j94 s VAL 160 Ca 0.54 -0.52 -0.25 0.00 -1.81 0.00 0.00 61.98 59.94 2j94 s VAL 160 Cb -0.24 -1.28 -0.08 0.00 0.56 0.00 0.00 36.38 35.35 2j94 s VAL 160 CO 0.25 0.42 1.33 -2.84 -0.31 0.00 0.00 175.10 173.95 2j94 s PRO 161 N 1.31 3.72 0.35 4.82 0.02 -1.26 -1.29 135.00 142.68 2j94 s PRO 161 Ca -0.01 2.20 -0.28 0.00 0.02 0.00 0.00 61.00 62.93 2j94 s PRO 161 Cb -0.14 -2.60 -0.10 0.00 0.02 0.00 0.00 34.50 31.68 2j94 s PRO 161 CO -0.06 -0.71 1.34 0.71 -0.33 0.00 0.00 177.00 177.95 2j94 s TYR 162 N -1.28 2.92 -0.19 6.54 2.02 -0.36 -1.88 117.35 125.12 2j94 s TYR 162 Ca 0.61 1.37 -0.05 0.00 -0.37 0.00 0.00 57.07 58.63 2j94 s TYR 162 Cb -0.39 -3.75 -0.02 0.00 -0.40 0.00 0.00 41.96 37.40 2j94 s TYR 162 CO 0.49 -2.12 -0.01 0.08 -1.57 0.00 0.00 175.55 172.42 2j94 s VAL 163 N -1.15 3.94 -0.04 0.71 1.01 -0.43 -4.90 120.40 119.54 2j94 s VAL 163 Ca 0.51 -0.32 -0.33 0.00 0.00 0.00 0.00 61.98 61.83 2j94 s VAL 163 Cb -0.41 -2.77 -0.16 0.00 0.00 0.00 0.00 36.38 33.04 2j94 s VAL 163 CO 0.54 0.44 0.91 -0.67 0.00 0.00 0.00 175.10 176.33 2j94 n ASP 164 N 4.06 0.08 -0.25 3.32 -0.08 -1.26 -4.51 116.55 117.91 2j94 n ASP 164 Ca -0.17 0.95 -0.05 0.00 -1.51 0.00 0.00 54.79 54.00 2j94 n ASP 164 Cb 0.52 -0.75 0.05 0.00 2.34 0.00 0.00 41.12 43.29 2j94 n ASP 164 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2j94 h ARG 165 N 2.58 0.92 0.01 -0.67 2.43 -1.97 -1.15 114.38 116.53 2j94 h ARG 165 Ca -0.41 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2j94 h ARG 165 Cb 1.16 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 2j94 h ARG 165 CO 0.55 0.61 -0.00 -0.97 -1.51 0.00 0.00 179.97 178.65 2j94 h ASN 166 N 0.95 -0.01 -0.93 -3.80 -1.24 -2.01 -2.37 115.58 106.18 2j94 h ASN 166 Ca 0.25 -0.04 0.14 0.00 0.71 0.00 0.00 56.30 57.36 2j94 h ASN 166 Cb -0.10 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 38.86 2j94 h ASN 166 CO -0.05 0.04 0.54 0.28 -1.29 0.00 0.00 177.43 176.94 2j94 h SER 167 N -0.05 0.72 0.01 1.15 0.02 -1.85 -1.91 113.55 111.63 2j94 h SER 167 Ca -0.00 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2j94 h SER 167 Cb 0.05 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2j94 h SER 167 CO 0.00 0.33 -0.00 0.00 -1.14 0.00 0.00 176.83 176.02 2j94 h LYS 169 N -0.28 1.10 -0.32 0.00 1.57 -1.09 -1.83 116.57 115.71 2j94 h LYS 169 Ca -0.00 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 2j94 h LYS 169 Cb 0.27 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2j94 h LYS 169 CO 0.00 0.73 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.53 2j94 h LEU 170 N 1.13 0.47 -0.37 2.94 3.38 -1.25 -2.90 115.31 118.71 2j94 h LEU 170 Ca 0.43 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.26 2j94 h LEU 170 Cb 0.21 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2j94 h LEU 170 CO -0.18 0.55 -0.27 0.77 0.09 0.00 0.00 178.44 179.40 2j94 h SER 171 N 0.48 0.00 -3.09 -0.43 4.64 -0.75 -3.47 113.55 110.94 2j94 h SER 171 Ca 0.10 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.83 2j94 h SER 171 Cb 0.33 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.38 2j94 h SER 171 CO 0.01 0.27 -0.17 -0.55 -0.87 0.00 0.00 176.83 175.52 2j94 s SER 172 N -6.28 6.84 0.00 4.97 0.15 -1.01 -4.84 113.70 113.52 2j94 s SER 172 Ca 0.04 1.00 0.26 0.00 0.70 0.00 0.00 55.95 57.95 2j94 s SER 172 Cb 0.08 -2.26 0.73 0.00 -1.71 0.00 0.00 66.02 62.85 2j94 s SER 172 CO 0.69 0.28 1.55 -1.20 1.20 0.00 0.00 173.24 175.76 2j94 n SER 173 N 1.61 0.75 -4.34 5.45 7.64 -1.26 -4.87 113.62 118.59 2j94 n SER 173 Ca -0.12 -0.58 -0.24 0.00 1.01 0.00 0.00 58.87 58.94 2j94 n SER 173 Cb 0.52 0.14 -0.12 0.00 -1.01 0.00 0.00 64.21 63.74 2j94 n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2j94 s PHE 174 N -2.70 1.93 0.21 1.43 0.40 -1.26 -5.10 117.98 112.89 2j94 s PHE 174 Ca 0.20 -0.43 -0.31 0.00 -0.60 0.00 0.00 56.93 55.79 2j94 s PHE 174 Cb 0.19 -1.00 -0.10 0.00 0.51 0.00 0.00 43.02 42.62 2j94 s PHE 174 CO 0.58 0.32 1.48 -1.50 0.70 0.00 0.00 175.22 176.80 2j94 s ILE 175 N -1.60 2.69 -0.46 0.64 2.07 -1.26 -4.98 121.20 118.30 2j94 s ILE 175 Ca 0.13 0.54 -0.14 0.00 -1.41 0.00 0.00 60.65 59.77 2j94 s ILE 175 Cb -0.08 -3.35 0.07 0.00 0.13 0.00 0.00 42.46 39.24 2j94 s ILE 175 CO 0.06 0.07 0.36 -0.63 -1.91 0.00 0.00 174.94 172.89 2j94 s ILE 176 N 0.47 4.97 0.92 2.00 -1.09 -1.26 -5.04 121.20 122.17 2j94 s ILE 176 Ca 0.63 -1.14 -0.14 0.00 -2.23 0.00 0.00 60.65 57.77 2j94 s ILE 176 Cb -0.42 -3.98 0.16 0.00 -1.58 0.00 0.00 42.46 36.64 2j94 s ILE 176 CO 0.38 -0.55 1.24 0.42 -1.23 0.00 0.00 174.94 175.19 2j94 s THR 177 N 1.59 1.97 -1.40 2.92 -4.23 -1.26 -4.94 115.64 110.28 2j94 s THR 177 Ca 0.04 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 60.74 2j94 s THR 177 Cb -0.24 -2.93 0.32 0.00 1.34 0.00 0.00 72.50 71.00 2j94 s THR 177 CO 0.05 0.00 1.60 0.00 -0.54 0.00 0.00 174.62 175.74 2j94 n GLN 178 N -3.69 0.25 -0.32 3.99 6.02 -1.26 -2.26 117.38 120.12 2j94 n GLN 178 Ca 0.11 0.11 0.07 0.00 -0.01 0.00 0.00 57.00 57.29 2j94 n GLN 178 Cb 0.60 -1.50 0.23 0.00 1.02 0.00 0.00 30.24 30.59 2j94 n GLN 178 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2j94 n ASN 179 N -1.30 2.92 -4.19 1.08 3.02 -1.26 -4.89 115.26 110.63 2j94 n ASN 179 Ca 0.09 -2.12 -0.15 0.00 -0.03 0.00 0.00 54.58 52.37 2j94 n ASN 179 Cb 0.16 -0.39 -0.11 0.00 -0.61 0.00 0.00 39.78 38.84 2j94 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2j94 s MET 180 N -1.51 0.89 0.20 3.52 -1.94 -0.96 -0.63 119.30 118.88 2j94 s MET 180 Ca 0.33 -1.21 -0.02 0.00 -1.71 0.00 0.00 55.69 53.08 2j94 s MET 180 Cb 0.19 -0.57 -0.04 0.00 2.01 0.00 0.00 34.83 36.42 2j94 s MET 180 CO 0.20 0.09 0.16 -0.59 -0.01 0.00 0.00 175.02 174.86 2j94 s PHE 181 N -2.58 1.09 0.04 -0.03 -0.12 -0.47 -4.75 117.98 111.16 2j94 s PHE 181 Ca 0.08 -1.33 0.09 0.00 -0.05 0.00 0.00 56.93 55.72 2j94 s PHE 181 Cb -0.02 -0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 41.84 2j94 s PHE 181 CO 0.00 -0.67 -0.25 0.00 -0.05 0.00 0.00 175.22 174.26 2j94 s ALA 183 N -0.80 -0.55 0.00 0.00 0.00 -0.80 -1.31 121.76 118.29 2j94 s ALA 183 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2j94 s ALA 183 Cb -0.10 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.17 2j94 s ALA 183 CO 0.02 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.92 2j94 n GLY 184 N 1.16 0.69 3.06 0.00 0.00 -0.79 -0.38 105.19 108.94 2j94 n GLY 184 Ca -0.21 -1.73 -0.15 0.00 0.00 0.00 0.00 46.02 43.93 2j94 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2j94 s TYR 185 N -3.12 0.75 0.01 1.61 2.02 -1.26 -4.02 117.35 113.34 2j94 s TYR 185 Ca 0.00 -0.38 -0.19 0.00 -0.37 0.00 0.00 57.07 56.13 2j94 s TYR 185 Cb 0.00 -0.45 -0.10 0.00 -0.40 0.00 0.00 41.96 41.01 2j94 s TYR 185 CO 0.00 -0.04 0.98 0.22 -1.57 0.00 0.00 175.55 175.14 2j94 h ASP 185 N 4.90 -0.58 0.00 2.29 3.58 -1.89 -3.42 116.42 121.29 2j94 h ASP 185 Ca -0.35 0.02 -0.18 0.00 0.42 0.00 0.00 57.03 56.94 2j94 h ASP 185 Cb 1.20 0.15 -0.03 0.00 1.72 0.00 0.00 39.33 42.36 2j94 h ASP 185 CO 0.43 -0.30 -1.68 0.35 -2.88 0.00 0.00 179.24 175.16 2j94 n THR 185 N -4.45 0.68 -1.51 2.25 -2.24 -1.26 -1.06 114.28 106.69 2j94 n THR 185 Ca -0.08 -0.31 -0.43 0.00 -2.27 0.00 0.00 64.05 60.95 2j94 n THR 185 Cb 0.27 -0.87 -0.00 0.00 -2.10 0.00 0.00 70.33 67.63 2j94 n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2j94 n LYS 186 N -2.69 0.86 -1.29 -0.78 4.81 -1.26 -4.76 118.16 113.05 2j94 n LYS 186 Ca -0.19 0.31 -0.30 0.00 -0.87 0.00 0.00 58.31 57.26 2j94 n LYS 186 Cb 0.75 -1.64 -0.07 0.00 0.02 0.00 0.00 35.03 34.09 2j94 n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2j94 n GLN 187 N 0.59 3.17 -3.85 1.64 1.13 -1.26 -4.80 117.38 114.00 2j94 n GLN 187 Ca 0.11 -1.95 -0.15 0.00 -1.94 0.00 0.00 57.00 53.07 2j94 n GLN 187 Cb 0.36 -2.49 -0.16 0.00 0.11 0.00 0.00 30.24 28.06 2j94 n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2j94 s GLU 188 N 1.22 0.09 -0.18 -1.09 2.02 -1.26 -3.99 118.70 115.51 2j94 s GLU 188 Ca 0.67 0.11 -0.35 0.00 0.02 0.00 0.00 54.97 55.41 2j94 s GLU 188 Cb 0.24 -0.29 0.14 0.00 0.10 0.00 0.00 34.13 34.32 2j94 s GLU 188 CO -0.05 -0.12 1.24 0.34 0.02 0.00 0.00 175.26 176.69 2j94 s ASP 189 N 0.83 -0.11 1.03 -0.19 2.15 -0.78 -4.35 116.67 115.25 2j94 s ASP 189 Ca -0.07 -0.02 -0.14 0.00 0.43 0.00 0.00 52.55 52.75 2j94 s ASP 189 Cb -0.11 0.13 0.20 0.00 -0.30 0.00 0.00 42.92 42.84 2j94 s ASP 189 CO -0.02 -0.21 1.11 0.00 -0.17 0.00 0.00 175.17 175.88 2j94 s ALA 190 N -2.37 1.02 0.20 3.66 0.00 -1.26 -0.46 121.76 122.55 2j94 s ALA 190 Ca 0.10 -0.54 -0.06 0.00 0.00 0.00 0.00 51.96 51.47 2j94 s ALA 190 Cb -0.00 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 20.09 2j94 s ALA 190 CO -0.04 -2.90 0.36 0.00 0.00 0.00 0.00 175.76 173.18 2j94 n GLN 192 N -0.28 2.43 0.00 0.00 7.27 -1.26 -1.86 117.38 123.68 2j94 n GLN 192 Ca -0.03 0.86 0.00 0.00 0.07 0.00 0.00 57.00 57.90 2j94 n GLN 192 Cb 0.30 -2.57 0.00 0.00 2.41 0.00 0.00 30.24 30.39 2j94 n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2j94 n GLY 193 N 1.67 3.34 0.09 1.69 0.00 -1.26 -0.60 105.19 110.12 2j94 n GLY 193 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 2j94 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2j94 n ASP 194 N 0.02 0.74 -4.59 1.61 8.00 -0.78 -3.88 116.55 117.68 2j94 n ASP 194 Ca 0.00 0.44 -0.45 0.00 0.71 0.00 0.00 54.79 55.49 2j94 n ASP 194 Cb 0.00 -0.51 -0.02 0.00 -0.02 0.00 0.00 41.12 40.56 2j94 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2j94 n SER 195 N -2.18 1.43 0.00 -2.24 7.64 -1.26 -1.68 113.62 115.34 2j94 n SER 195 Ca 0.05 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.10 2j94 n SER 195 Cb 0.43 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 2j94 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2j94 n GLY 196 N 1.43 2.55 3.77 0.23 0.00 0.05 0.43 105.19 113.66 2j94 n GLY 196 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2j94 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2j94 s GLY 197 N -1.87 1.67 0.24 -0.02 0.00 -0.67 -3.22 107.32 103.45 2j94 s GLY 197 Ca 0.00 -0.98 -0.30 0.00 0.00 0.00 0.00 44.72 43.44 2j94 s GLY 197 CO 0.00 -0.20 1.07 2.56 0.00 0.00 0.00 173.10 176.52 2j94 s PRO 198 N -5.59 4.67 -0.22 2.90 0.05 -1.26 -1.91 135.00 133.64 2j94 s PRO 198 Ca 0.71 1.72 -0.00 0.00 0.05 0.00 0.00 61.00 63.47 2j94 s PRO 198 Cb -0.08 -3.23 0.02 0.00 0.05 0.00 0.00 34.50 31.26 2j94 s PRO 198 CO 0.54 0.23 -0.12 -1.58 0.05 0.00 0.00 177.00 176.12 2j94 s HIS 199 N -0.87 2.97 0.14 0.56 2.46 -0.54 -2.64 115.29 117.37 2j94 s HIS 199 Ca 0.45 -1.61 0.09 0.00 0.47 0.00 0.00 55.06 54.46 2j94 s HIS 199 Cb -0.30 -1.99 -0.04 0.00 -0.13 0.00 0.00 32.58 30.12 2j94 s HIS 199 CO 0.37 -0.76 -0.21 0.14 -2.47 0.00 0.00 174.74 171.82 2j94 s VAL 200 N 1.30 1.89 -0.08 0.89 -7.23 0.03 -0.78 120.40 116.43 2j94 s VAL 200 Ca 0.02 -1.77 0.03 0.00 -1.81 0.00 0.00 61.98 58.44 2j94 s VAL 200 Cb -0.15 -1.78 0.01 0.00 0.56 0.00 0.00 36.38 35.01 2j94 s VAL 200 CO -0.08 -0.15 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.49 2j94 s THR 201 N -1.56 1.58 -0.00 5.32 2.01 0.22 0.07 115.64 123.28 2j94 s THR 201 Ca 0.13 -0.75 -0.23 0.00 0.31 0.00 0.00 61.69 61.15 2j94 s THR 201 Cb -0.08 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 70.99 2j94 s THR 201 CO 0.06 0.45 0.70 -0.60 -0.69 0.00 0.00 174.62 174.54 2j94 s ARG 202 N 0.47 4.43 -0.07 4.92 3.52 -1.26 -0.64 118.95 130.32 2j94 s ARG 202 Ca -0.16 0.91 -0.02 0.00 -0.13 0.00 0.00 55.73 56.33 2j94 s ARG 202 Cb -0.17 -3.38 0.03 0.00 -1.56 0.00 0.00 34.95 29.87 2j94 s ARG 202 CO 0.06 0.24 0.03 0.12 -0.81 0.00 0.00 175.30 174.94 2j94 s PHE 203 N 0.17 0.41 -1.25 5.12 5.36 0.26 -4.90 117.98 123.16 2j94 s PHE 203 Ca 0.36 -0.02 -0.26 0.00 -0.96 0.00 0.00 56.93 56.05 2j94 s PHE 203 Cb -0.19 -0.67 0.03 0.00 -0.34 0.00 0.00 43.02 41.84 2j94 s PHE 203 CO 0.20 -0.29 0.61 1.63 -1.46 0.00 0.00 175.22 175.91 2j94 n LYS 204 N 5.21 -0.71 -1.31 10.12 5.02 -1.26 -1.03 118.16 134.19 2j94 n LYS 204 Ca -0.05 0.17 -0.12 0.00 -2.02 0.00 0.00 58.31 56.29 2j94 n LYS 204 Cb 0.50 -3.10 -0.05 0.00 -0.02 0.00 0.00 35.03 32.36 2j94 n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2j94 n ASP 205 N -2.40 -5.24 -4.31 4.39 8.00 -1.26 -4.96 116.55 110.77 2j94 n ASP 205 Ca -0.14 0.29 -0.32 0.00 0.71 0.00 0.00 54.79 55.33 2j94 n ASP 205 Cb 0.59 -4.03 -0.16 0.00 -0.02 0.00 0.00 41.12 37.51 2j94 n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2j94 s THR 206 N -1.97 2.44 -0.27 -3.53 2.01 -0.20 -5.11 115.64 109.01 2j94 s THR 206 Ca 0.00 -0.91 -0.10 0.00 0.31 0.00 0.00 61.69 60.99 2j94 s THR 206 Cb 0.00 -1.94 -0.05 0.00 0.01 0.00 0.00 72.50 70.52 2j94 s THR 206 CO 0.00 0.56 0.16 -0.31 -0.69 0.00 0.00 174.62 174.34 2j94 s TYR 207 N -0.02 3.19 -0.08 4.92 1.51 -1.26 0.90 117.35 126.51 2j94 s TYR 207 Ca -0.06 -0.00 0.00 0.00 -1.01 0.00 0.00 57.07 56.00 2j94 s TYR 207 Cb -0.15 -2.34 -0.03 0.00 -0.11 0.00 0.00 41.96 39.33 2j94 s TYR 207 CO 0.05 -0.20 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.16 2j94 s PHE 208 N 1.69 2.93 -0.00 2.71 0.08 0.18 -2.19 117.98 123.39 2j94 s PHE 208 Ca 0.07 -0.08 -0.30 0.00 0.12 0.00 0.00 56.93 56.74 2j94 s PHE 208 Cb -0.16 -1.75 -0.07 0.00 -0.57 0.00 0.00 43.02 40.47 2j94 s PHE 208 CO 0.09 0.24 1.69 0.08 -0.10 0.00 0.00 175.22 177.22 2j94 s VAL 209 N -0.56 3.35 0.00 -0.44 1.01 0.64 -0.61 120.40 123.79 2j94 s VAL 209 Ca 0.08 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2j94 s VAL 209 Cb -0.12 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2j94 s VAL 209 CO 0.02 -0.03 0.00 0.35 0.00 0.00 0.00 175.10 175.43 2j94 n THR 210 N 5.25 0.00 -3.72 3.92 -2.24 0.04 -4.51 114.28 113.03 2j94 n THR 210 Ca 0.17 -0.18 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 2j94 n THR 210 Cb 0.42 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 2j94 n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2j94 s GLY 211 N -1.39 -0.19 -0.08 3.38 0.00 -0.36 -2.79 107.32 105.90 2j94 s GLY 211 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 44.72 44.63 2j94 s GLY 211 CO 0.00 -0.12 -0.14 -0.42 0.00 0.00 0.00 173.10 172.42 2j94 s ILE 212 N -3.87 1.28 0.09 0.90 1.01 -1.15 -1.46 121.20 118.01 2j94 s ILE 212 Ca 0.08 -0.55 -0.31 0.00 0.00 0.00 0.00 60.65 59.87 2j94 s ILE 212 Cb -0.03 -1.17 -0.10 0.00 0.01 0.00 0.00 42.46 41.17 2j94 s ILE 212 CO -0.01 0.39 1.89 0.52 0.00 0.00 0.00 174.94 177.73 2j94 n VAL 213 N 3.89 0.52 0.02 2.92 0.31 -0.80 -1.01 118.33 124.19 2j94 n VAL 213 Ca -0.21 -0.09 -0.01 0.00 -0.01 0.00 0.00 64.34 64.01 2j94 n VAL 213 Cb 0.52 -2.20 -0.00 0.00 -0.91 0.00 0.00 33.84 31.24 2j94 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2j94 n SER 214 N 6.36 0.89 -3.45 4.52 2.88 -0.54 -0.77 113.62 123.51 2j94 n SER 214 Ca 0.19 0.12 -0.08 0.00 -1.33 0.00 0.00 58.87 57.77 2j94 n SER 214 Cb 0.39 -0.31 -0.01 0.00 -0.75 0.00 0.00 64.21 63.53 2j94 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2j94 s TRP 215 N -1.82 0.04 -0.14 0.66 1.48 -0.29 -4.89 118.94 113.99 2j94 s TRP 215 Ca -0.03 -0.58 -0.31 0.00 -1.06 0.00 0.00 56.10 54.12 2j94 s TRP 215 Cb 0.00 0.68 0.13 0.00 -1.16 0.00 0.00 33.47 33.13 2j94 s TRP 215 CO 0.05 -1.35 1.07 0.20 -4.06 0.00 0.00 176.95 172.85 2j94 s GLY 216 N -3.01 -0.28 -0.83 3.67 0.00 -1.26 0.00 107.32 105.62 2j94 s GLY 216 Ca 0.15 1.77 -0.22 0.00 0.00 0.00 0.00 44.72 46.42 2j94 s GLY 216 CO 0.10 0.75 1.16 -0.54 0.00 0.00 0.00 173.10 174.56 2j94 s GLU 217 N -1.91 3.37 2.74 2.90 2.02 -1.26 -4.89 118.70 121.67 2j94 s GLU 217 Ca 0.04 -1.10 0.00 0.00 0.02 0.00 0.00 54.97 53.93 2j94 s GLU 217 Cb -0.01 -4.67 0.00 0.00 0.10 0.00 0.00 34.13 29.55 2j94 s GLU 217 CO -0.04 -1.93 0.00 0.41 0.02 0.00 0.00 175.26 173.72 2j94 n GLY 219 N 5.71 -0.02 2.86 -1.39 0.00 -1.26 -4.64 105.19 106.45 2j94 n GLY 219 Ca 0.13 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 2j94 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j94 n ALA 221 N 4.95 -0.45 -1.17 0.00 0.00 -1.26 -4.62 120.51 117.95 2j94 n ALA 221 Ca -0.11 0.20 -0.32 0.00 0.00 0.00 0.00 53.44 53.21 2j94 n ALA 221 Cb 0.50 -1.96 0.10 0.00 0.00 0.00 0.00 19.45 18.10 2j94 n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2j94 s ARG 222 N -4.45 2.00 0.20 0.00 0.52 -1.26 -4.72 118.95 111.24 2j94 s ARG 222 Ca 0.00 1.43 -0.30 0.00 -0.52 0.00 0.00 55.73 56.34 2j94 s ARG 222 Cb 0.00 -1.85 -0.08 0.00 0.52 0.00 0.00 34.95 33.54 2j94 s ARG 222 CO 0.00 -1.87 1.17 0.15 0.02 0.00 0.00 175.30 174.77 2j94 s LYS 223 N -4.49 4.53 0.00 3.54 1.02 -1.26 -2.62 119.74 120.46 2j94 s LYS 223 Ca 0.66 1.85 0.00 0.00 0.02 0.00 0.00 55.97 58.50 2j94 s LYS 223 Cb -0.22 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 33.86 2j94 s LYS 223 CO 0.52 -0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.34 2j94 n GLY 223 N 1.98 0.39 3.39 -3.33 0.00 -0.22 -4.99 105.19 102.41 2j94 n GLY 223 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2j94 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j94 s LYS 224 N -0.68 1.92 0.43 1.61 -0.14 -1.08 -4.75 119.74 117.04 2j94 s LYS 224 Ca 0.00 -1.05 0.05 0.00 -1.36 0.00 0.00 55.97 53.61 2j94 s LYS 224 Cb 0.00 -2.07 -0.06 0.00 -1.68 0.00 0.00 37.83 34.02 2j94 s LYS 224 CO 0.00 0.53 0.02 0.71 -0.76 0.00 0.00 175.35 175.84 2j94 s TYR 225 N -0.85 2.26 0.22 3.18 2.02 -1.26 -4.57 117.35 118.35 2j94 s TYR 225 Ca 0.13 -0.80 -0.23 0.00 -0.37 0.00 0.00 57.07 55.80 2j94 s TYR 225 Cb -0.10 -1.65 -0.08 0.00 -0.40 0.00 0.00 41.96 39.72 2j94 s TYR 225 CO 0.03 0.31 0.78 0.20 -1.57 0.00 0.00 175.55 175.30 2j94 s GLY 226 N -3.72 2.77 -0.17 0.71 0.00 0.49 -4.60 107.32 102.80 2j94 s GLY 226 Ca 0.27 0.30 -0.03 0.00 0.00 0.00 0.00 44.72 45.26 2j94 s GLY 226 CO 0.14 0.73 -0.05 -0.42 0.00 0.00 0.00 173.10 173.50 2j94 s ILE 227 N -1.39 3.66 0.05 0.90 -1.09 0.10 -1.91 121.20 121.52 2j94 s ILE 227 Ca 0.41 -0.43 0.09 0.00 -2.23 0.00 0.00 60.65 58.49 2j94 s ILE 227 Cb -0.20 -2.61 -0.03 0.00 -1.58 0.00 0.00 42.46 38.04 2j94 s ILE 227 CO 0.23 0.47 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.86 2j94 s TYR 228 N 0.67 2.13 0.24 3.97 1.51 -0.56 -1.14 117.35 124.18 2j94 s TYR 228 Ca -0.03 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.34 2j94 s TYR 228 Cb -0.15 -1.26 -0.09 0.00 -0.11 0.00 0.00 41.96 40.35 2j94 s TYR 228 CO 0.02 0.14 1.31 0.99 -1.11 0.00 0.00 175.55 176.90 2j94 s THR 229 N -0.84 3.04 -0.75 -0.71 2.01 -0.18 -1.37 115.64 116.84 2j94 s THR 229 Ca 0.10 0.91 -0.24 0.00 0.31 0.00 0.00 61.69 62.78 2j94 s THR 229 Cb -0.10 -3.58 0.06 0.00 0.01 0.00 0.00 72.50 68.89 2j94 s THR 229 CO 0.02 0.16 1.14 -0.75 -0.69 0.00 0.00 174.62 174.51 2j94 s LYS 230 N -0.66 3.24 0.45 4.92 2.20 0.20 -2.92 119.74 127.18 2j94 s LYS 230 Ca 0.54 -0.75 0.12 0.00 -0.36 0.00 0.00 55.97 55.52 2j94 s LYS 230 Cb -0.38 -4.40 1.04 0.00 -1.51 0.00 0.00 37.83 32.58 2j94 s LYS 230 CO 0.43 -1.97 2.06 0.28 -0.36 0.00 0.00 175.35 175.79 2j94 h VAL 231 N 6.07 1.01 0.00 4.02 2.07 -1.84 -1.40 116.25 126.17 2j94 h VAL 231 Ca -0.19 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2j94 h VAL 231 Cb 1.05 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2j94 h VAL 231 CO 1.24 0.06 -0.01 0.71 0.02 0.00 0.00 177.57 179.59 2j94 h THR 232 N 0.34 0.61 0.00 2.57 1.35 -1.90 -1.00 112.91 114.89 2j94 h THR 232 Ca 0.14 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.96 2j94 h THR 232 Cb 0.14 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 2j94 h THR 232 CO -0.03 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.25 2j94 h ALA 233 N 1.99 1.00 0.00 6.62 0.00 -1.62 -3.31 119.26 123.94 2j94 h ALA 233 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2j94 h ALA 233 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2j94 h ALA 233 CO 0.00 0.00 -0.07 1.19 0.00 0.00 0.00 179.25 180.37 2j94 n PHE 234 N -2.35 0.00 -0.27 0.00 3.72 -0.39 -4.84 117.46 113.33 2j94 n PHE 234 Ca 0.03 -0.64 -0.05 0.00 -0.05 0.00 0.00 57.45 56.73 2j94 n PHE 234 Cb 0.28 -0.10 0.06 0.00 -0.94 0.00 0.00 39.48 38.79 2j94 n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2j94 h LEU 235 N 0.00 0.90 -0.44 4.37 3.38 -1.62 0.41 115.31 122.31 2j94 h LEU 235 Ca 0.00 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2j94 h LEU 235 Cb 0.91 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2j94 h LEU 235 CO 0.00 0.72 -0.01 0.11 0.09 0.00 0.00 178.44 179.35 2j94 h LYS 236 N 1.01 0.79 -0.20 1.13 1.57 -1.89 -1.93 116.57 117.04 2j94 h LYS 236 Ca 0.26 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2j94 h LYS 236 Cb 0.01 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2j94 h LYS 236 CO -0.04 0.86 0.05 2.35 -0.57 0.00 0.00 179.45 182.09 2j94 h TRP 237 N 0.63 0.09 -0.45 -1.35 7.01 -1.81 -0.10 115.95 119.97 2j94 h TRP 237 Ca 0.12 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.16 2j94 h TRP 237 Cb 0.51 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.52 2j94 h TRP 237 CO 0.04 0.04 0.24 0.82 -2.79 0.00 0.00 178.44 176.79 2j94 h ILE 238 N 0.14 1.00 0.11 2.65 2.04 -0.09 0.01 117.51 123.36 2j94 h ILE 238 Ca 0.09 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.80 2j94 h ILE 238 Cb 0.08 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 2j94 h ILE 238 CO -0.11 0.09 -0.28 -0.78 0.00 0.00 0.00 178.15 177.07 2j94 h ASP 239 N 0.49 -0.80 -0.39 1.72 3.58 -0.99 -1.18 116.42 118.84 2j94 h ASP 239 Ca 0.19 0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.78 2j94 h ASP 239 Cb 0.06 0.30 -0.04 0.00 1.72 0.00 0.00 39.33 41.37 2j94 h ASP 239 CO -0.11 -0.37 0.13 0.03 -2.88 0.00 0.00 179.24 176.04 2j94 h ARG 240 N -0.48 0.27 -0.04 0.28 3.08 -0.85 -2.45 114.38 114.18 2j94 h ARG 240 Ca 0.03 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.08 2j94 h ARG 240 Cb 0.52 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 2j94 h ARG 240 CO -0.17 0.18 0.03 0.77 -1.07 0.00 0.00 179.97 179.71 2j94 h SER 241 N 0.28 0.00 0.86 7.04 0.02 -0.42 -2.18 113.55 119.14 2j94 h SER 241 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2j94 h SER 241 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2j94 h SER 241 CO -0.19 0.00 -0.62 0.23 -1.14 0.00 0.00 176.83 175.11 2j94 n MET 242 N -4.50 0.28 0.18 3.45 2.81 -0.50 -3.82 117.12 115.03 2j94 n MET 242 Ca -0.02 0.08 0.13 0.00 -1.81 0.00 0.00 57.70 56.09 2j94 n MET 242 Cb 0.13 -1.68 0.37 0.00 -0.71 0.00 0.00 33.22 31.33 2j94 n MET 242 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2j94 h LYS 243 N 0.00 0.00 0.00 0.03 1.79 -0.93 -3.51 116.57 113.94 2j94 h LYS 243 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2j94 h LYS 243 Cb 0.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 2j94 h LYS 243 CO 0.00 0.00 0.00 0.25 -1.08 0.00 0.00 179.45 178.62