#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xg0 s LEU 2 N 0.00 5.48 0.46 -0.89 1.43 -1.26 -4.95 118.68 118.96 1xg0 s LEU 2 Ca 0.00 -1.57 0.12 0.00 -1.03 0.00 0.00 54.13 51.65 1xg0 s LEU 2 Cb 0.00 -2.30 1.06 0.00 0.03 0.00 0.00 46.19 44.98 1xg0 s LEU 2 CO 0.00 -1.07 2.09 0.44 0.23 0.00 0.00 176.35 178.04 1xg0 h ASP 3 N 9.06 0.25 0.03 2.29 3.32 -2.05 -1.05 116.42 128.28 1xg0 h ASP 3 Ca -0.24 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 1xg0 h ASP 3 Cb 1.08 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 1xg0 h ASP 3 CO 1.08 0.18 -0.01 0.00 -1.72 0.00 0.00 179.24 178.77 1xg0 h ALA 4 N 1.84 1.57 -0.52 3.45 0.00 -1.99 -2.23 119.26 121.39 1xg0 h ALA 4 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xg0 h ALA 4 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xg0 h ALA 4 CO -0.02 0.02 0.00 1.19 0.00 0.00 0.00 179.25 180.43 1xg0 n PHE 5 N -3.93 0.96 -0.29 0.00 0.99 -0.40 -4.66 117.46 110.12 1xg0 n PHE 5 Ca -0.03 -0.58 -0.01 0.00 -0.00 0.00 0.00 57.45 56.83 1xg0 n PHE 5 Cb 0.10 -0.12 0.11 0.00 -1.00 0.00 0.00 39.48 38.56 1xg0 n PHE 5 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1xg0 h SER 6 N 3.14 0.82 0.59 4.37 4.64 -1.37 -0.95 113.55 124.79 1xg0 h SER 6 Ca 0.00 0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.18 1xg0 h SER 6 Cb 1.10 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 1xg0 h SER 6 CO 0.10 0.55 -0.68 0.03 -0.87 0.00 0.00 176.83 175.96 1xg0 h ARG 7 N 0.96 0.08 -0.06 4.77 3.08 -1.83 -2.66 114.38 118.72 1xg0 h ARG 7 Ca 0.33 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1xg0 h ARG 7 Cb 0.07 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1xg0 h ARG 7 CO -0.14 0.73 0.04 0.28 -1.07 0.00 0.00 179.97 179.81 1xg0 h VAL 8 N 0.05 1.03 0.00 2.04 2.07 -1.67 -0.98 116.25 118.79 1xg0 h VAL 8 Ca -0.01 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 1xg0 h VAL 8 Cb 1.21 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1xg0 h VAL 8 CO 0.09 0.03 -0.22 -0.37 0.02 0.00 0.00 177.57 177.12 1xg0 h VAL 9 N 0.06 0.48 -0.34 2.57 -1.51 -1.08 -2.01 116.25 114.43 1xg0 h VAL 9 Ca 0.02 -1.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.27 1xg0 h VAL 9 Cb 0.01 1.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1xg0 h VAL 9 CO -0.00 0.22 0.00 0.35 -1.23 0.00 0.00 177.57 176.90 1xg0 n THR 10 N -3.30 0.44 -2.73 7.19 -2.24 -1.02 -4.89 114.28 107.73 1xg0 n THR 10 Ca 0.01 -0.57 -0.17 0.00 -2.27 0.00 0.00 64.05 61.05 1xg0 n THR 10 Cb 0.48 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 1xg0 n THR 10 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xg0 n ASN 11 N 0.89 -4.41 0.12 3.42 3.02 -0.76 -4.86 115.26 112.68 1xg0 n ASN 11 Ca 0.17 -0.03 -0.01 0.00 -0.03 0.00 0.00 54.58 54.68 1xg0 n ASN 11 Cb 0.45 -3.68 0.23 0.00 -0.61 0.00 0.00 39.78 36.17 1xg0 n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xg0 h ALA 12 N 0.99 1.12 -2.90 5.41 0.00 -1.44 -3.46 119.26 118.98 1xg0 h ALA 12 Ca -0.38 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.05 1xg0 h ALA 12 Cb 1.27 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 1xg0 h ALA 12 CO 0.45 0.60 0.00 0.16 0.00 0.00 0.00 179.25 180.47 1xg0 s ASP 13 N -6.89 0.00 -0.10 0.00 1.47 -1.25 -5.05 116.67 104.85 1xg0 s ASP 13 Ca -0.04 -0.95 0.17 0.00 1.18 0.00 0.00 52.55 52.92 1xg0 s ASP 13 Cb 0.13 0.66 0.65 0.00 -0.34 0.00 0.00 42.92 44.03 1xg0 s ASP 13 CO 0.76 -1.28 1.56 -1.20 0.68 0.00 0.00 175.17 175.70 1xg0 n SER 14 N -0.65 4.43 -4.74 2.11 7.64 -1.26 -4.72 113.62 116.43 1xg0 n SER 14 Ca -0.03 -2.44 -0.41 0.00 1.01 0.00 0.00 58.87 57.01 1xg0 n SER 14 Cb 0.61 -0.53 -0.04 0.00 -1.01 0.00 0.00 64.21 63.24 1xg0 n SER 14 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1xg0 s LYS 15 N -1.82 4.57 0.42 1.43 1.02 -1.26 -5.00 119.74 119.09 1xg0 s LYS 15 Ca 0.47 1.77 -0.25 0.00 0.02 0.00 0.00 55.97 57.98 1xg0 s LYS 15 Cb 0.30 -3.26 -0.08 0.00 -0.52 0.00 0.00 37.83 34.27 1xg0 s LYS 15 CO 0.22 0.04 1.22 0.00 -0.92 0.00 0.00 175.35 175.92 1xg0 s ALA 16 N -0.29 3.15 -0.01 5.17 0.00 -1.26 -4.84 121.76 123.68 1xg0 s ALA 16 Ca 0.50 1.07 0.07 0.00 0.00 0.00 0.00 51.96 53.59 1xg0 s ALA 16 Cb -0.31 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 1xg0 s ALA 16 CO 0.36 -0.68 -0.21 0.00 0.00 0.00 0.00 175.76 175.22 1xg0 s ALA 17 N -1.37 2.39 -0.07 0.00 0.00 -1.26 -5.13 121.76 116.31 1xg0 s ALA 17 Ca 0.58 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 51.47 1xg0 s ALA 17 Cb -0.33 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.10 1xg0 s ALA 17 CO 0.42 0.54 -0.17 0.71 0.00 0.00 0.00 175.76 177.26 1xg0 s TYR 18 N -0.72 1.87 -0.30 0.00 4.12 -1.26 -5.07 117.35 115.99 1xg0 s TYR 18 Ca 0.11 -0.68 0.01 0.00 0.02 0.00 0.00 57.07 56.53 1xg0 s TYR 18 Cb -0.10 -1.29 0.09 0.00 -1.52 0.00 0.00 41.96 39.14 1xg0 s TYR 18 CO 0.01 -0.29 0.06 0.08 0.02 0.00 0.00 175.55 175.43 1xg0 s VAL 19 N 0.38 1.33 0.35 0.71 1.01 -1.26 -5.06 120.40 117.87 1xg0 s VAL 19 Ca -0.13 -1.60 0.04 0.00 0.00 0.00 0.00 61.98 60.29 1xg0 s VAL 19 Cb -0.15 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 1xg0 s VAL 19 CO 0.05 -0.56 0.13 0.61 0.00 0.00 0.00 175.10 175.33 1xg0 n GLY 20 N 4.67 3.33 7.00 4.51 0.00 -1.26 -4.52 105.19 118.92 1xg0 n GLY 20 Ca -0.02 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1xg0 n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xg0 n GLY 21 N -0.40 2.68 0.30 -0.02 0.00 -1.26 -1.49 105.19 105.00 1xg0 n GLY 21 Ca -0.04 -0.28 0.02 0.00 0.00 0.00 0.00 46.02 45.71 1xg0 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xg0 h ALA 22 N -0.72 1.56 -0.67 4.61 0.00 -1.99 -0.56 119.26 121.49 1xg0 h ALA 22 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1xg0 h ALA 22 Cb 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1xg0 h ALA 22 CO 0.00 0.35 0.24 -0.44 0.00 0.00 0.00 179.25 179.40 1xg0 h ASP 23 N 0.58 0.93 -0.31 0.00 5.19 -1.73 -1.22 116.42 119.86 1xg0 h ASP 23 Ca 0.15 -0.15 -0.13 0.00 -0.62 0.00 0.00 57.03 56.28 1xg0 h ASP 23 Cb 0.08 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.34 1xg0 h ASP 23 CO -0.02 0.85 -0.32 0.25 -3.12 0.00 0.00 179.24 176.89 1xg0 h LEU 24 N 0.98 0.81 -0.55 1.55 5.85 -0.48 0.14 115.31 123.62 1xg0 h LEU 24 Ca 0.22 -0.47 0.09 0.00 0.84 0.00 0.00 57.88 58.56 1xg0 h LEU 24 Cb 0.24 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 1xg0 h LEU 24 CO -0.01 1.12 0.15 -0.61 -0.34 0.00 0.00 178.44 178.75 1xg0 h GLN 25 N 0.52 0.29 -0.39 1.25 4.15 -0.92 -1.28 115.11 118.74 1xg0 h GLN 25 Ca 0.05 -0.02 -0.16 0.00 0.77 0.00 0.00 58.65 59.29 1xg0 h GLN 25 Cb 0.89 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.51 1xg0 h GLN 25 CO 0.08 0.19 -0.38 0.00 -1.93 0.00 0.00 178.83 176.79 1xg0 h ALA 26 N 1.41 0.58 -0.74 3.38 0.00 -1.15 -3.11 119.26 119.64 1xg0 h ALA 26 Ca 0.28 -0.45 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1xg0 h ALA 26 Cb 0.37 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1xg0 h ALA 26 CO -0.33 0.68 0.42 1.25 0.00 0.00 0.00 179.25 181.27 1xg0 h LEU 27 N 0.77 0.64 -1.60 0.00 5.85 -0.37 -0.55 115.31 120.04 1xg0 h LEU 27 Ca 0.06 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1xg0 h LEU 27 Cb 0.97 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 1xg0 h LEU 27 CO 0.09 0.40 -0.09 0.11 -0.34 0.00 0.00 178.44 178.62 1xg0 h LYS 28 N 0.77 0.00 0.00 1.25 1.57 -1.19 -1.47 116.57 117.50 1xg0 h LYS 28 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1xg0 h LYS 28 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1xg0 h LYS 28 CO -0.19 0.09 -0.86 1.63 -0.57 0.00 0.00 179.45 179.55 1xg0 n LYS 29 N -3.29 0.34 -0.03 3.15 4.76 -0.78 -3.82 118.16 118.49 1xg0 n LYS 29 Ca -0.00 0.05 -0.15 0.00 -2.87 0.00 0.00 58.31 55.34 1xg0 n LYS 29 Cb 0.31 -1.66 -0.11 0.00 -1.84 0.00 0.00 35.03 31.72 1xg0 n LYS 29 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1xg0 h PHE 30 N 0.00 0.25 -3.56 2.13 3.57 -0.28 -3.44 116.94 115.61 1xg0 h PHE 30 Ca 0.00 -0.13 -0.48 0.00 3.53 0.00 0.00 57.97 60.90 1xg0 h PHE 30 Cb 0.78 -0.03 0.05 0.00 2.79 0.00 0.00 35.95 39.54 1xg0 h PHE 30 CO 0.00 0.91 0.14 0.96 -2.23 0.00 0.00 178.31 178.09 1xg0 s ILE 31 N -3.22 3.90 0.46 1.41 -4.36 -0.63 -5.09 121.20 113.67 1xg0 s ILE 31 Ca -0.16 -0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.23 1xg0 s ILE 31 Cb 0.01 -3.53 0.00 0.00 1.25 0.00 0.00 42.46 40.19 1xg0 s ILE 31 CO 0.74 -0.52 0.69 -0.94 0.24 0.00 0.00 174.94 175.14 1xg0 s SER 32 N -4.26 5.77 -1.55 4.36 1.04 -1.26 -4.48 113.70 113.31 1xg0 s SER 32 Ca 0.52 0.26 -0.10 0.00 0.48 0.00 0.00 55.95 57.11 1xg0 s SER 32 Cb -0.10 -1.46 0.08 0.00 0.10 0.00 0.00 66.02 64.63 1xg0 s SER 32 CO 0.44 -0.76 0.66 -0.62 0.98 0.00 0.00 173.24 173.95 1xg0 n GLU 33 N -2.12 -3.63 0.16 4.02 1.02 -1.26 -4.72 120.64 114.11 1xg0 n GLU 33 Ca 0.02 0.43 -0.14 0.00 -0.02 0.00 0.00 57.16 57.45 1xg0 n GLU 33 Cb 0.58 -4.93 -0.07 0.00 -0.02 0.00 0.00 31.44 27.00 1xg0 n GLU 33 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1xg0 h GLY 34 N -1.74 -0.66 0.99 0.62 0.00 -1.79 0.24 103.07 100.74 1xg0 h GLY 34 Ca -0.61 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1xg0 h GLY 34 CO 0.70 -0.26 0.14 3.43 0.00 0.00 0.00 176.54 180.54 1xg0 h ASN 35 N -0.59 0.25 -0.77 0.19 2.35 -1.88 -1.28 115.58 113.85 1xg0 h ASN 35 Ca 0.01 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1xg0 h ASN 35 Cb 0.58 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.85 1xg0 h ASN 35 CO -0.13 0.21 0.39 0.11 -1.65 0.00 0.00 177.43 176.36 1xg0 h LYS 36 N 0.28 1.10 -0.43 0.81 1.57 -1.82 -0.70 116.57 117.38 1xg0 h LYS 36 Ca 0.08 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1xg0 h LYS 36 Cb -0.00 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1xg0 h LYS 36 CO -0.02 0.84 0.24 -0.09 -0.57 0.00 0.00 179.45 179.86 1xg0 h ARG 37 N 1.10 0.60 -0.45 3.15 2.43 -0.20 0.92 114.38 121.92 1xg0 h ARG 37 Ca 0.27 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.26 1xg0 h ARG 37 Cb 0.09 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1xg0 h ARG 37 CO -0.04 0.47 -0.19 -0.07 -1.51 0.00 0.00 179.97 178.63 1xg0 h LEU 38 N 0.57 0.91 -1.07 3.80 3.38 -0.89 -1.25 115.31 120.76 1xg0 h LEU 38 Ca 0.15 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1xg0 h LEU 38 Cb 0.04 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1xg0 h LEU 38 CO -0.03 1.07 0.50 0.44 0.09 0.00 0.00 178.44 180.52 1xg0 h ASP 39 N 0.78 1.01 0.32 -0.43 3.32 -0.87 -0.86 116.42 119.68 1xg0 h ASP 39 Ca 0.11 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1xg0 h ASP 39 Cb 0.73 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1xg0 h ASP 39 CO 0.06 0.78 -0.15 0.28 -1.72 0.00 0.00 179.24 178.49 1xg0 h SER 40 N 1.16 -0.36 -0.39 6.45 0.02 -0.32 -1.31 113.55 118.80 1xg0 h SER 40 Ca 0.30 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.31 1xg0 h SER 40 Cb -0.04 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.55 1xg0 h SER 40 CO -0.06 -0.25 0.11 0.58 -1.14 0.00 0.00 176.83 176.08 1xg0 h VAL 41 N -0.43 0.85 -0.65 2.27 2.07 -1.11 -2.57 116.25 116.67 1xg0 h VAL 41 Ca -0.04 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.44 1xg0 h VAL 41 Cb 0.33 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1xg0 h VAL 41 CO 0.07 0.05 0.37 -1.13 0.02 0.00 0.00 177.57 176.95 1xg0 h ASN 42 N 0.26 0.56 0.65 0.57 -1.24 -0.90 -0.46 115.58 115.02 1xg0 h ASN 42 Ca 0.18 0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.17 1xg0 h ASN 42 Cb 0.19 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 1xg0 h ASN 42 CO -0.21 0.37 -0.22 0.77 -1.29 0.00 0.00 177.43 176.85 1xg0 h SER 43 N 0.69 0.00 0.00 1.15 4.64 -0.86 -1.37 113.55 117.79 1xg0 h SER 43 Ca 0.28 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.57 1xg0 h SER 43 Cb 0.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1xg0 h SER 43 CO -0.16 0.22 -0.25 0.40 -0.87 0.00 0.00 176.83 176.16 1xg0 h ILE 44 N 0.00 0.68 -0.07 0.95 2.04 -1.03 -3.35 117.51 116.73 1xg0 h ILE 44 Ca -0.00 -1.57 -0.09 0.00 1.00 0.00 0.00 64.86 64.19 1xg0 h ILE 44 Cb 0.60 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1xg0 h ILE 44 CO 0.03 0.23 -0.38 -0.37 0.00 0.00 0.00 178.15 177.66 1xg0 h VAL 45 N -1.00 1.29 0.00 1.67 -1.51 -1.10 -1.43 116.25 114.17 1xg0 h VAL 45 Ca -0.05 -1.38 0.00 0.00 -1.23 0.00 0.00 66.70 64.04 1xg0 h VAL 45 Cb 0.57 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 1xg0 h VAL 45 CO -0.03 0.41 0.00 -1.20 -1.23 0.00 0.00 177.57 175.52 1xg0 n SER 46 N -4.07 0.29 -0.66 4.19 7.64 -0.52 -1.99 113.62 118.50 1xg0 n SER 46 Ca -0.01 0.57 0.08 0.00 1.01 0.00 0.00 58.87 60.52 1xg0 n SER 46 Cb 0.44 -0.63 0.22 0.00 -1.01 0.00 0.00 64.21 63.22 1xg0 n SER 46 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1xg0 n ASN 47 N -1.82 3.33 -0.15 6.43 3.02 -0.56 -4.84 115.26 120.66 1xg0 n ASN 47 Ca 0.03 -3.10 -0.08 0.00 -0.03 0.00 0.00 54.58 51.40 1xg0 n ASN 47 Cb 0.19 -0.52 0.01 0.00 -0.61 0.00 0.00 39.78 38.85 1xg0 n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xg0 h ALA 48 N 1.21 0.58 -0.62 5.41 0.00 -1.18 -0.65 119.26 124.01 1xg0 h ALA 48 Ca 0.01 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1xg0 h ALA 48 Cb 1.32 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1xg0 h ALA 48 CO 0.16 0.09 0.36 0.77 0.00 0.00 0.00 179.25 180.64 1xg0 h SER 49 N 0.60 0.57 -0.28 0.00 0.02 -1.88 -1.15 113.55 111.43 1xg0 h SER 49 Ca 0.16 0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.94 1xg0 h SER 49 Cb 0.02 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1xg0 h SER 49 CO -0.03 0.39 -0.55 0.00 -1.14 0.00 0.00 176.83 175.50 1xg0 h ILE 51 N 0.67 1.00 -0.12 0.00 2.04 -0.82 0.19 117.51 120.46 1xg0 h ILE 51 Ca 0.01 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1xg0 h ILE 51 Cb 1.16 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1xg0 h ILE 51 CO 0.12 0.06 -0.03 0.58 0.00 0.00 0.00 178.15 178.88 1xg0 h VAL 52 N 0.31 1.29 -0.59 1.67 2.07 -1.17 -1.18 116.25 118.66 1xg0 h VAL 52 Ca 0.12 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1xg0 h VAL 52 Cb 0.03 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1xg0 h VAL 52 CO -0.08 0.28 0.33 0.28 0.02 0.00 0.00 177.57 178.40 1xg0 h SER 53 N -0.08 0.72 -0.38 0.57 0.02 -1.10 -0.53 113.55 112.78 1xg0 h SER 53 Ca 0.03 -0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 60.80 1xg0 h SER 53 Cb 0.45 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1xg0 h SER 53 CO 0.01 0.59 -0.12 -0.78 -1.14 0.00 0.00 176.83 175.39 1xg0 h ASP 54 N 0.79 0.83 -0.28 3.07 3.58 -0.89 0.29 116.42 123.81 1xg0 h ASP 54 Ca 0.21 -0.26 -0.03 0.00 0.42 0.00 0.00 57.03 57.37 1xg0 h ASP 54 Cb 0.02 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 1xg0 h ASP 54 CO -0.04 0.97 0.07 0.00 -2.88 0.00 0.00 179.24 177.36 1xg0 h ALA 55 N 1.11 0.37 -0.25 -0.78 0.00 -0.93 0.26 119.26 119.04 1xg0 h ALA 55 Ca 0.12 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1xg0 h ALA 55 Cb 0.63 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1xg0 h ALA 55 CO 0.04 0.03 -0.19 0.28 0.00 0.00 0.00 179.25 179.41 1xg0 h VAL 56 N 0.28 1.31 -0.84 0.00 2.07 -1.02 -0.28 116.25 117.78 1xg0 h VAL 56 Ca 0.09 -1.33 0.02 0.00 0.82 0.00 0.00 66.70 66.30 1xg0 h VAL 56 Cb 0.29 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 1xg0 h VAL 56 CO 0.00 0.42 0.55 0.28 0.02 0.00 0.00 177.57 178.84 1xg0 h SER 57 N 0.29 0.93 -0.15 0.57 0.02 -0.94 -1.27 113.55 113.00 1xg0 h SER 57 Ca 0.05 -0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.83 1xg0 h SER 57 Cb 0.73 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1xg0 h SER 57 CO 0.05 0.65 -0.49 1.23 -1.14 0.00 0.00 176.83 177.13 1xg0 h GLY 58 N 1.08 0.65 0.08 -3.77 0.00 -0.79 0.16 103.07 100.48 1xg0 h GLY 58 Ca 0.32 -0.86 0.14 0.00 0.00 0.00 0.00 47.33 46.94 1xg0 h GLY 58 CO -0.09 0.76 0.21 1.98 0.00 0.00 0.00 176.54 179.41 1xg0 h MET 59 N 0.24 0.32 -0.20 4.80 1.85 -0.85 -1.46 114.93 119.63 1xg0 h MET 59 Ca -0.02 -0.02 -0.13 0.00 -0.61 0.00 0.00 59.70 58.92 1xg0 h MET 59 Cb 1.12 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 33.07 1xg0 h MET 59 CO 0.10 0.21 -0.37 0.82 -0.40 0.00 0.00 176.91 177.28 1xg0 h ILE 60 N 0.33 1.33 0.00 1.77 2.04 -1.08 -2.01 117.51 119.89 1xg0 h ILE 60 Ca 0.39 -1.59 -0.06 0.00 1.00 0.00 0.00 64.86 64.60 1xg0 h ILE 60 Cb 0.62 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 1xg0 h ILE 60 CO -0.44 0.49 -0.27 0.00 0.00 0.00 0.00 178.15 177.93 1xg0 h GLU 62 N 0.00 0.00 -2.42 0.00 5.08 -1.22 -3.39 114.58 112.63 1xg0 h GLU 62 Ca -0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 1xg0 h GLU 62 Cb 0.53 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.40 1xg0 h GLU 62 CO 0.04 0.65 -0.95 1.21 -1.00 0.00 0.00 179.01 178.96 1xg0 s ASN 63 N -6.73 1.70 0.62 1.42 2.47 -0.64 -5.00 114.94 108.78 1xg0 s ASN 63 Ca -0.00 -3.07 0.36 0.00 0.42 0.00 0.00 52.86 50.57 1xg0 s ASN 63 Cb 0.12 -0.51 2.06 0.00 -1.45 0.00 0.00 41.25 41.47 1xg0 s ASN 63 CO 0.76 -0.17 2.29 -0.65 -3.72 0.00 0.00 177.10 175.61 1xg0 h PRO 64 N 5.69 0.00 0.00 0.43 0.11 -1.44 -2.03 132.00 134.77 1xg0 h PRO 64 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1xg0 h PRO 64 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1xg0 h PRO 64 CO 0.39 0.01 0.06 0.66 -0.21 0.00 0.00 178.00 178.90 1xg0 h SER 65 N 0.00 0.00 -0.05 -2.05 4.64 -1.95 -1.80 113.55 112.34 1xg0 h SER 65 Ca -0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1xg0 h SER 65 Cb 0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1xg0 h SER 65 CO 0.00 0.00 0.06 -0.07 -0.87 0.00 0.00 176.83 175.95 1xg0 h LEU 66 N 0.00 0.00 -3.00 5.97 3.38 -1.70 -1.92 115.31 118.04 1xg0 h LEU 66 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xg0 h LEU 66 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1xg0 h LEU 66 CO 0.00 0.00 0.00 2.30 0.09 0.00 0.00 178.44 180.83 1xg0 n ILE 67 N -3.93 1.37 -1.08 1.22 -5.35 -0.68 -0.99 119.36 109.92 1xg0 n ILE 67 Ca -0.02 -1.33 -0.29 0.00 -0.27 0.00 0.00 62.75 60.84 1xg0 n ILE 67 Cb 0.15 0.26 0.17 0.00 -1.74 0.00 0.00 39.64 38.48 1xg0 n ILE 67 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1xg0 s SER 68 N -1.41 2.74 0.39 7.28 1.04 -0.72 -4.76 113.70 118.26 1xg0 s SER 68 Ca 0.22 1.39 0.27 0.00 0.48 0.00 0.00 55.95 58.31 1xg0 s SER 68 Cb 0.15 -2.07 1.41 0.00 0.10 0.00 0.00 66.02 65.62 1xg0 s SER 68 CO 0.09 -3.08 1.82 -0.65 0.98 0.00 0.00 173.24 172.39 1xg0 h PRO 69 N -1.86 0.00 -0.02 4.02 0.11 -1.94 -0.65 132.00 131.67 1xg0 h PRO 69 Ca -0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1xg0 h PRO 69 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1xg0 h PRO 69 CO 0.55 0.00 -0.12 -1.13 -0.21 0.00 0.00 178.00 177.09 1xg0 n SER 70 N -2.44 2.55 0.00 -2.05 3.41 -1.26 -4.96 113.62 108.86 1xg0 n SER 70 Ca -0.01 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 56.82 1xg0 n SER 70 Cb 0.07 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1xg0 n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xg0 n GLY 71 N 1.24 0.81 0.00 5.00 0.00 -0.25 -5.02 105.19 106.98 1xg0 n GLY 71 Ca 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1xg0 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xg0 s TYR 74 N 0.00 3.33 0.00 0.00 5.04 -1.17 -3.24 117.35 121.31 1xg0 s TYR 74 Ca 0.00 1.49 0.00 0.00 -2.44 0.00 0.00 57.07 56.12 1xg0 s TYR 74 Cb 0.00 -3.49 0.00 0.00 0.35 0.00 0.00 41.96 38.82 1xg0 s TYR 74 CO 0.00 -1.29 0.00 0.25 -1.34 0.00 0.00 175.55 173.17 1xg0 n THR 75 N 1.50 -0.08 -0.22 4.34 -2.24 -1.26 -4.15 114.28 112.17 1xg0 n THR 75 Ca 0.01 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.86 1xg0 n THR 75 Cb 0.43 0.00 0.34 0.00 -2.10 0.00 0.00 70.33 69.00 1xg0 n THR 75 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1xg0 h ASN 76 N 0.00 0.71 0.07 3.42 2.35 -1.99 -1.60 115.58 118.53 1xg0 h ASN 76 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1xg0 h ASN 76 Cb 0.00 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1xg0 h ASN 76 CO 0.00 0.45 -0.08 -0.09 -1.65 0.00 0.00 177.43 176.05 1xg0 h ARG 77 N 0.80 -0.17 -0.30 0.81 2.43 -1.93 0.04 114.38 116.06 1xg0 h ARG 77 Ca 0.34 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.43 1xg0 h ARG 77 Cb 0.31 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1xg0 h ARG 77 CO -0.12 -0.11 -0.19 0.00 -1.51 0.00 0.00 179.97 178.03 1xg0 h ARG 78 N -0.18 0.66 -0.38 0.20 3.08 -1.62 -1.65 114.38 114.49 1xg0 h ARG 78 Ca 0.01 -0.31 0.05 0.00 0.07 0.00 0.00 59.98 59.80 1xg0 h ARG 78 Cb 0.18 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 1xg0 h ARG 78 CO -0.03 0.90 0.10 1.98 -1.07 0.00 0.00 179.97 181.85 1xg0 h MET 79 N 0.41 0.23 -0.90 0.04 4.05 -1.25 -0.60 114.93 116.91 1xg0 h MET 79 Ca 0.06 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 1xg0 h MET 79 Cb 0.73 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.43 1xg0 h MET 79 CO 0.05 0.15 0.53 0.00 0.23 0.00 0.00 176.91 177.88 1xg0 h ALA 80 N 1.26 1.15 -0.74 0.39 0.00 -0.88 -0.60 119.26 119.84 1xg0 h ALA 80 Ca 0.18 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1xg0 h ALA 80 Cb 0.18 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1xg0 h ALA 80 CO -0.21 0.62 0.30 0.00 0.00 0.00 0.00 179.25 179.96 1xg0 h ALA 81 N 1.29 1.12 -0.10 0.00 0.00 -0.80 0.94 119.26 121.71 1xg0 h ALA 81 Ca 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1xg0 h ALA 81 Cb -0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 1xg0 h ALA 81 CO -0.06 0.63 -0.03 0.00 0.00 0.00 0.00 179.25 179.80 1xg0 h LEU 83 N -0.14 0.87 -0.10 0.00 3.38 -1.03 -0.01 115.31 118.28 1xg0 h LEU 83 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xg0 h LEU 83 Cb 0.44 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1xg0 h LEU 83 CO 0.01 0.59 0.06 -0.09 0.09 0.00 0.00 178.44 179.10 1xg0 h ARG 84 N 1.02 0.13 -0.88 1.13 2.43 -0.63 -1.64 114.38 115.93 1xg0 h ARG 84 Ca 0.34 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.49 1xg0 h ARG 84 Cb 0.05 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 1xg0 h ARG 84 CO -0.13 0.08 0.49 -0.44 -1.51 0.00 0.00 179.97 178.46 1xg0 h ASP 85 N 0.13 1.09 -0.65 -3.80 5.19 -0.51 0.11 116.42 117.99 1xg0 h ASP 85 Ca 0.04 -0.09 0.04 0.00 -0.62 0.00 0.00 57.03 56.40 1xg0 h ASP 85 Cb -0.01 -0.28 -0.05 0.00 0.18 0.00 0.00 39.33 39.17 1xg0 h ASP 85 CO -0.01 0.87 0.38 1.23 -3.12 0.00 0.00 179.24 178.58 1xg0 h GLY 86 N 1.24 0.94 0.91 2.75 0.00 -0.78 -0.43 103.07 107.69 1xg0 h GLY 86 Ca 0.31 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 1xg0 h GLY 86 CO -0.05 0.20 -0.01 -2.09 0.00 0.00 0.00 176.54 174.59 1xg0 h GLU 87 N 0.72 0.61 -0.30 4.80 4.81 -0.65 -0.22 114.58 124.34 1xg0 h GLU 87 Ca 0.28 -0.20 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1xg0 h GLU 87 Cb 0.11 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 1xg0 h GLU 87 CO -0.15 0.73 0.03 0.82 -0.73 0.00 0.00 179.01 179.72 1xg0 h ILE 88 N 0.42 0.81 -0.23 2.32 2.04 -0.39 0.15 117.51 122.63 1xg0 h ILE 88 Ca 0.10 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.93 1xg0 h ILE 88 Cb 0.46 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1xg0 h ILE 88 CO 0.02 0.02 0.12 0.40 0.00 0.00 0.00 178.15 178.71 1xg0 h ILE 89 N 0.12 1.01 -0.81 -0.67 2.04 -1.01 -0.72 117.51 117.47 1xg0 h ILE 89 Ca 0.14 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1xg0 h ILE 89 Cb 0.18 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1xg0 h ILE 89 CO -0.22 0.05 0.51 0.25 0.00 0.00 0.00 178.15 178.74 1xg0 h LEU 90 N 0.26 0.85 -0.52 1.44 5.85 -0.65 -0.46 115.31 122.07 1xg0 h LEU 90 Ca 0.09 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.67 1xg0 h LEU 90 Cb 0.01 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1xg0 h LEU 90 CO -0.06 0.58 -0.26 0.03 -0.34 0.00 0.00 178.44 178.40 1xg0 h ARG 91 N 1.00 0.93 -0.66 1.25 3.08 -0.32 0.85 114.38 120.50 1xg0 h ARG 91 Ca 0.33 -0.41 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 1xg0 h ARG 91 Cb 0.03 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1xg0 h ARG 91 CO -0.12 1.07 0.11 1.88 -1.07 0.00 0.00 179.97 181.84 1xg0 h TYR 92 N 0.79 1.15 -0.87 3.04 0.05 -0.77 -0.72 116.97 119.65 1xg0 h TYR 92 Ca 0.10 -0.15 0.03 0.00 0.05 0.00 0.00 58.73 58.75 1xg0 h TYR 92 Cb 0.83 -0.32 -0.05 0.00 1.01 0.00 0.00 36.73 38.20 1xg0 h TYR 92 CO 0.05 0.96 0.56 0.28 -1.05 0.00 0.00 178.16 178.96 1xg0 h VAL 93 N 1.02 1.15 -0.26 -2.88 2.07 -0.85 -1.07 116.25 115.42 1xg0 h VAL 93 Ca 0.20 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 1xg0 h VAL 93 Cb 0.43 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1xg0 h VAL 93 CO 0.01 0.20 -0.08 0.77 0.02 0.00 0.00 177.57 178.49 1xg0 h SER 94 N 1.10 0.39 -0.00 0.57 4.64 -0.09 -0.66 113.55 119.50 1xg0 h SER 94 Ca 0.34 -0.08 -0.17 0.00 -0.47 0.00 0.00 61.79 61.41 1xg0 h SER 94 Cb -0.01 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1xg0 h SER 94 CO -0.11 0.52 -0.60 0.22 -0.87 0.00 0.00 176.83 175.99 1xg0 h TYR 95 N 0.40 0.78 -0.95 4.77 3.20 -0.73 -0.11 116.97 124.33 1xg0 h TYR 95 Ca 0.08 -0.29 0.02 0.00 3.14 0.00 0.00 58.73 61.68 1xg0 h TYR 95 Cb 0.39 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 1xg0 h TYR 95 CO 0.01 1.05 0.62 0.00 -1.64 0.00 0.00 178.16 178.21 1xg0 h ALA 96 N 0.88 1.23 -0.29 1.82 0.00 -0.57 -0.81 119.26 121.52 1xg0 h ALA 96 Ca -0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1xg0 h ALA 96 Cb 1.17 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1xg0 h ALA 96 CO 0.12 0.55 -0.50 1.25 0.00 0.00 0.00 179.25 180.66 1xg0 h LEU 97 N 1.25 0.88 -0.55 0.00 5.85 -0.88 0.23 115.31 122.09 1xg0 h LEU 97 Ca 0.36 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1xg0 h LEU 97 Cb -0.08 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.67 1xg0 h LEU 97 CO -0.10 1.23 0.36 0.25 -0.34 0.00 0.00 178.44 179.84 1xg0 h LEU 98 N 0.63 0.61 0.00 2.25 5.85 -0.73 -3.15 115.31 120.76 1xg0 h LEU 98 Ca 0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1xg0 h LEU 98 Cb 1.09 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1xg0 h LEU 98 CO 0.11 0.44 -0.80 0.77 -0.34 0.00 0.00 178.44 178.62 1xg0 h SER 99 N 0.73 0.00 -1.20 1.25 4.64 -1.08 -3.48 113.55 114.40 1xg0 h SER 99 Ca 0.21 -0.08 -0.21 0.00 -0.47 0.00 0.00 61.79 61.24 1xg0 h SER 99 Cb -0.06 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 1xg0 h SER 99 CO -0.06 0.04 -0.25 0.61 -0.87 0.00 0.00 176.83 176.31 1xg0 n GLY 100 N 1.23 0.30 3.16 -0.77 0.00 0.75 -4.91 105.19 104.96 1xg0 n GLY 100 Ca 0.01 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 1xg0 n GLY 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xg0 s ASP 101 N -2.63 -0.38 0.00 1.61 -1.08 -0.83 -5.03 116.67 108.33 1xg0 s ASP 101 Ca 0.00 0.70 0.30 0.00 -0.52 0.00 0.00 52.55 53.03 1xg0 s ASP 101 Cb 0.00 0.59 1.54 0.00 -1.46 0.00 0.00 42.92 43.59 1xg0 s ASP 101 CO 0.00 -0.17 2.03 0.00 0.52 0.00 0.00 175.17 177.54 1xg0 n ALA 102 N 4.11 2.66 -0.05 3.66 0.00 -1.26 -4.26 120.51 125.38 1xg0 n ALA 102 Ca -0.23 -0.26 -0.08 0.00 0.00 0.00 0.00 53.44 52.86 1xg0 n ALA 102 Cb 0.54 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 1xg0 n ALA 102 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1xg0 h SER 103 N 0.63 -0.13 -0.63 0.00 0.02 -1.96 -0.20 113.55 111.27 1xg0 h SER 103 Ca 0.00 0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 1xg0 h SER 103 Cb 0.21 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1xg0 h SER 103 CO 0.00 -0.04 0.05 0.58 -1.14 0.00 0.00 176.83 176.28 1xg0 h VAL 104 N 0.04 1.26 -0.11 2.27 2.07 -1.96 0.72 116.25 120.54 1xg0 h VAL 104 Ca 0.10 -1.10 0.03 0.00 0.82 0.00 0.00 66.70 66.56 1xg0 h VAL 104 Cb 0.14 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1xg0 h VAL 104 CO -0.19 0.40 -0.09 0.25 0.02 0.00 0.00 177.57 177.96 1xg0 h LEU 105 N 0.99 -0.29 -0.54 2.57 5.85 -1.70 0.51 115.31 122.70 1xg0 h LEU 105 Ca 0.19 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 1xg0 h LEU 105 Cb 0.50 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1xg0 h LEU 105 CO 0.02 -0.13 0.26 -0.33 -0.34 0.00 0.00 178.44 177.93 1xg0 h GLU 106 N -0.11 0.78 0.13 1.25 5.08 -0.63 -1.31 114.58 119.77 1xg0 h GLU 106 Ca 0.07 -0.11 -0.32 0.00 -1.00 0.00 0.00 59.36 58.00 1xg0 h GLU 106 Cb 0.21 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1xg0 h GLU 106 CO -0.17 0.64 -1.64 -0.44 -1.00 0.00 0.00 179.01 176.39 1xg0 h ASP 107 N 0.73 0.42 -0.00 1.42 3.32 -0.69 -0.49 116.42 121.12 1xg0 h ASP 107 Ca 0.19 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1xg0 h ASP 107 Cb 0.11 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1xg0 h ASP 107 CO -0.02 1.54 -0.67 0.54 -1.72 0.00 0.00 179.24 178.91 1xg0 n ARG 108 N -3.46 2.10 -0.01 3.56 1.74 0.16 -4.42 116.66 116.33 1xg0 n ARG 108 Ca -0.20 -0.06 -0.03 0.00 -0.77 0.00 0.00 57.85 56.79 1xg0 n ARG 108 Cb 1.05 -1.20 -0.01 0.00 -1.02 0.00 0.00 32.46 31.28 1xg0 n ARG 108 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xg0 h LEU 110 N -0.08 0.05 -9.03 0.00 3.38 -1.19 -3.40 115.31 105.05 1xg0 h LEU 110 Ca -0.06 -0.09 -0.57 0.00 0.09 0.00 0.00 57.88 57.26 1xg0 h LEU 110 Cb 1.06 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1xg0 h LEU 110 CO -0.03 1.08 1.19 0.21 0.09 0.00 0.00 178.44 180.97 1xg0 s ASN 111 N -6.30 6.22 0.00 -0.43 3.04 -0.20 -1.44 114.94 115.83 1xg0 s ASN 111 Ca -0.05 1.67 0.00 0.00 0.04 0.00 0.00 52.86 54.52 1xg0 s ASN 111 Cb 0.08 -2.53 0.00 0.00 -1.54 0.00 0.00 41.25 37.26 1xg0 s ASN 111 CO 0.82 -1.38 0.00 0.61 -3.04 0.00 0.00 177.10 174.11 1xg0 n GLY 112 N 4.89 0.97 0.18 1.21 0.00 -1.26 -4.94 105.19 106.24 1xg0 n GLY 112 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 1xg0 n GLY 112 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xg0 h LEU 113 N 0.00 0.58 -0.76 0.99 5.85 -1.46 -2.66 115.31 117.85 1xg0 h LEU 113 Ca 0.00 -0.50 0.07 0.00 0.84 0.00 0.00 57.88 58.29 1xg0 h LEU 113 Cb 0.00 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 1xg0 h LEU 113 CO 0.00 0.97 0.45 0.50 -0.34 0.00 0.00 178.44 180.01 1xg0 h LYS 114 N 0.21 0.78 -0.50 1.25 3.64 -1.79 -0.77 116.57 119.40 1xg0 h LYS 114 Ca 0.03 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1xg0 h LYS 114 Cb 0.82 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.42 1xg0 h LYS 114 CO 0.06 0.52 0.22 1.49 -2.27 0.00 0.00 179.45 179.46 1xg0 h GLU 115 N 0.80 0.41 -0.20 1.90 4.81 -1.91 0.16 114.58 120.55 1xg0 h GLU 115 Ca 0.34 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1xg0 h GLU 115 Cb 0.21 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1xg0 h GLU 115 CO -0.19 0.27 0.11 1.15 -0.73 0.00 0.00 179.01 179.62 1xg0 h THR 116 N 0.42 1.12 -0.83 0.32 2.02 -1.03 -1.82 112.91 113.11 1xg0 h THR 116 Ca 0.23 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1xg0 h THR 116 Cb 0.19 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 1xg0 h THR 116 CO -0.20 0.11 0.46 1.88 0.37 0.00 0.00 175.52 178.14 1xg0 h TYR 117 N 0.21 1.13 -0.45 3.16 0.05 -0.68 -1.93 116.97 118.45 1xg0 h TYR 117 Ca 0.07 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1xg0 h TYR 117 Cb 0.08 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 37.44 1xg0 h TYR 117 CO -0.03 0.78 0.26 0.77 -1.05 0.00 0.00 178.16 178.88 1xg0 h SER 118 N 1.16 0.56 -0.91 3.88 0.02 -0.56 -0.11 113.55 117.59 1xg0 h SER 118 Ca 0.29 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1xg0 h SER 118 Cb 0.02 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.37 1xg0 h SER 118 CO -0.05 0.48 0.60 -1.28 -1.14 0.00 0.00 176.83 175.44 1xg0 h SER 119 N 0.60 1.02 0.99 3.07 0.87 -0.84 -2.84 113.55 116.41 1xg0 h SER 119 Ca 0.16 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1xg0 h SER 119 Cb 0.03 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.75 1xg0 h SER 119 CO -0.03 0.72 -0.39 0.18 -0.53 0.00 0.00 176.83 176.79 1xg0 n LEU 120 N -4.41 0.63 -0.67 2.23 4.77 -0.77 -4.95 117.00 113.82 1xg0 n LEU 120 Ca 0.11 0.31 -0.06 0.00 -0.03 0.00 0.00 56.01 56.34 1xg0 n LEU 120 Cb 0.05 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 40.88 1xg0 n LEU 120 CO 0.36 -0.06 -0.08 0.61 -1.33 0.00 0.00 177.39 176.90 1xg0 n GLY 121 N 1.37 0.20 3.65 -0.72 0.00 -0.16 -4.99 105.19 104.53 1xg0 n GLY 121 Ca 0.05 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 1xg0 n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xg0 s VAL 122 N -2.30 4.25 -0.01 1.61 1.01 -0.59 -4.94 120.40 119.43 1xg0 s VAL 122 Ca 0.00 1.48 -0.30 0.00 0.00 0.00 0.00 61.98 63.16 1xg0 s VAL 122 Cb 0.00 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 1xg0 s VAL 122 CO 0.00 -0.25 1.47 -2.16 0.00 0.00 0.00 175.10 174.16 1xg0 s PRO 123 N 3.71 4.25 0.22 2.72 0.04 -1.26 -4.71 135.00 139.97 1xg0 s PRO 123 Ca 0.55 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.60 1xg0 s PRO 123 Cb -0.20 -3.67 0.20 0.00 0.04 0.00 0.00 34.50 30.88 1xg0 s PRO 123 CO 0.17 -0.66 1.60 0.00 0.04 0.00 0.00 177.00 178.15 1xg0 h ALA 124 N 8.24 0.85 -0.53 8.56 0.00 -1.91 -0.92 119.26 133.55 1xg0 h ALA 124 Ca -0.38 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.07 1xg0 h ALA 124 Cb 1.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1xg0 h ALA 124 CO 0.92 0.64 0.19 -2.95 0.00 0.00 0.00 179.25 178.05 1xg0 h ASN 125 N 0.52 0.75 -0.39 0.00 -1.07 -1.90 0.17 115.58 113.66 1xg0 h ASN 125 Ca 0.05 -0.19 -0.07 0.00 0.07 0.00 0.00 56.30 56.16 1xg0 h ASN 125 Cb 0.87 -0.19 -0.01 0.00 -2.07 0.00 0.00 38.32 36.91 1xg0 h ASN 125 CO 0.07 0.74 -0.02 0.28 0.07 0.00 0.00 177.43 178.57 1xg0 h SER 126 N 0.72 0.70 -0.70 6.14 0.02 -1.92 -2.41 113.55 116.09 1xg0 h SER 126 Ca 0.17 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1xg0 h SER 126 Cb 0.24 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 1xg0 h SER 126 CO -0.01 0.85 0.42 -1.13 -1.14 0.00 0.00 176.83 175.82 1xg0 h ASN 127 N 0.53 0.84 -0.88 3.07 -0.73 -1.03 -1.08 115.58 116.30 1xg0 h ASN 127 Ca 0.11 -0.06 0.01 0.00 1.87 0.00 0.00 56.30 58.22 1xg0 h ASN 127 Cb 0.51 -0.21 -0.04 0.00 0.27 0.00 0.00 38.32 38.84 1xg0 h ASN 127 CO 0.02 0.66 0.58 0.00 -0.37 0.00 0.00 177.43 178.33 1xg0 h ALA 128 N 1.22 1.36 -0.44 1.57 0.00 -0.79 -0.96 119.26 121.22 1xg0 h ALA 128 Ca 0.25 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1xg0 h ALA 128 Cb -0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1xg0 h ALA 128 CO -0.05 0.59 -0.11 -0.09 0.00 0.00 0.00 179.25 179.59 1xg0 h ARG 129 N 1.20 0.86 -0.49 0.00 9.65 -0.82 -0.09 114.38 124.69 1xg0 h ARG 129 Ca 0.32 -0.33 0.07 0.00 -1.10 0.00 0.00 59.98 58.94 1xg0 h ARG 129 Cb -0.13 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 28.34 1xg0 h ARG 129 CO -0.07 0.97 0.17 0.00 2.80 0.00 0.00 179.97 183.84 1xg0 h ALA 130 N 0.87 0.60 -0.65 2.80 0.00 -0.66 -0.63 119.26 121.58 1xg0 h ALA 130 Ca 0.11 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1xg0 h ALA 130 Cb 0.66 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1xg0 h ALA 130 CO 0.05 -0.23 0.28 0.28 0.00 0.00 0.00 179.25 179.63 1xg0 h VAL 131 N 0.34 1.23 -0.05 0.00 2.07 -0.95 -1.07 116.25 117.82 1xg0 h VAL 131 Ca 0.24 -0.69 -0.11 0.00 0.82 0.00 0.00 66.70 66.96 1xg0 h VAL 131 Cb 0.26 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1xg0 h VAL 131 CO -0.25 0.28 -0.47 0.77 0.02 0.00 0.00 177.57 177.91 1xg0 h SER 132 N 0.90 0.12 -0.22 0.57 4.64 -0.53 0.26 113.55 119.29 1xg0 h SER 132 Ca 0.22 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.39 1xg0 h SER 132 Cb 0.17 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1xg0 h SER 132 CO -0.02 0.58 -0.22 0.40 -0.87 0.00 0.00 176.83 176.69 1xg0 h ILE 133 N 0.09 1.32 -0.82 0.95 2.04 -0.88 -1.65 117.51 118.57 1xg0 h ILE 133 Ca 0.00 -1.39 0.08 0.00 1.00 0.00 0.00 64.86 64.55 1xg0 h ILE 133 Cb 0.87 1.72 -0.07 0.00 -0.74 0.00 0.00 36.82 38.61 1xg0 h ILE 133 CO 0.07 0.43 0.48 0.24 0.00 0.00 0.00 178.15 179.37 1xg0 h MET 134 N 0.23 0.82 -0.24 2.37 2.86 -0.83 -0.80 114.93 119.35 1xg0 h MET 134 Ca 0.03 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1xg0 h MET 134 Cb 0.78 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 1xg0 h MET 134 CO 0.06 0.54 0.04 -0.22 1.06 0.00 0.00 176.91 178.39 1xg0 h LYS 135 N 0.85 0.12 -0.89 1.72 3.64 -0.84 -0.86 116.57 120.31 1xg0 h LYS 135 Ca 0.37 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.76 1xg0 h LYS 135 Cb 0.26 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1xg0 h LYS 135 CO -0.21 0.08 0.58 0.00 -2.27 0.00 0.00 179.45 177.63 1xg0 h ALA 136 N 1.18 1.36 -0.05 5.00 0.00 -0.71 -0.52 119.26 125.52 1xg0 h ALA 136 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xg0 h ALA 136 Cb 0.11 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1xg0 h ALA 136 CO -0.15 0.59 0.03 0.00 0.00 0.00 0.00 179.25 179.72 1xg0 h ALA 138 N 1.00 0.66 -0.27 0.00 0.00 -0.61 -1.37 119.26 118.68 1xg0 h ALA 138 Ca 0.02 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1xg0 h ALA 138 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1xg0 h ALA 138 CO -0.00 0.23 -0.18 -0.39 0.00 0.00 0.00 179.25 178.91 1xg0 h VAL 139 N 0.68 1.24 -0.52 0.00 -1.51 -1.07 -1.35 116.25 113.73 1xg0 h VAL 139 Ca 0.17 -1.12 -0.10 0.00 -1.23 0.00 0.00 66.70 64.43 1xg0 h VAL 139 Cb 0.13 1.24 -0.02 0.00 -2.13 0.00 0.00 31.29 30.51 1xg0 h VAL 139 CO -0.02 0.36 -0.06 0.00 -1.23 0.00 0.00 177.57 176.62 1xg0 h ALA 140 N 1.38 0.91 -0.49 5.19 0.00 -1.00 0.29 119.26 125.54 1xg0 h ALA 140 Ca 0.07 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 1xg0 h ALA 140 Cb 0.57 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1xg0 h ALA 140 CO 0.04 0.64 -0.22 0.74 0.00 0.00 0.00 179.25 180.44 1xg0 h PHE 141 N 0.84 1.16 0.33 0.00 0.04 -0.88 -3.19 116.94 115.24 1xg0 h PHE 141 Ca 0.15 -0.28 -0.02 0.00 2.80 0.00 0.00 57.97 60.62 1xg0 h PHE 141 Cb 0.58 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1xg0 h PHE 141 CO 0.04 1.12 -0.16 0.28 -0.60 0.00 0.00 178.31 178.98 1xg0 h VAL 142 N 0.87 0.00 -1.99 -0.55 2.07 -1.17 -3.36 116.25 112.11 1xg0 h VAL 142 Ca 0.11 -0.65 -0.77 0.00 0.82 0.00 0.00 66.70 66.21 1xg0 h VAL 142 Cb 0.80 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 30.38 1xg0 h VAL 142 CO 0.07 0.00 1.54 -3.20 0.02 0.00 0.00 177.57 176.00 1xg0 n ASN 143 N -5.00 5.45 -4.47 0.57 5.15 0.08 -4.67 115.26 112.37 1xg0 n ASN 143 Ca -0.05 -3.16 -0.43 0.00 -0.60 0.00 0.00 54.58 50.34 1xg0 n ASN 143 Cb 0.17 -1.44 -0.09 0.00 -0.53 0.00 0.00 39.78 37.89 1xg0 n ASN 143 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1xg0 s ASN 144 N 0.57 6.16 -0.17 1.20 3.84 -1.20 -4.67 114.94 120.66 1xg0 s ASN 144 Ca 0.38 -0.77 0.11 0.00 0.21 0.00 0.00 52.86 52.79 1xg0 s ASN 144 Cb 0.05 -2.20 0.63 0.00 -0.55 0.00 0.00 41.25 39.19 1xg0 s ASN 144 CO 0.02 -0.52 1.47 0.35 -2.79 0.00 0.00 177.10 175.63 1xg0 n THR 145 N 5.31 2.05 -1.11 -5.21 -2.24 -1.26 -4.95 114.28 106.88 1xg0 n THR 145 Ca -0.09 -1.06 -0.28 0.00 -2.27 0.00 0.00 64.05 60.34 1xg0 n THR 145 Cb 0.47 -0.28 0.19 0.00 -2.10 0.00 0.00 70.33 68.61 1xg0 n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xg0 s ALA 146 N -2.29 0.75 0.81 6.98 0.00 -1.26 -5.01 121.76 121.74 1xg0 s ALA 146 Ca 0.42 -0.39 -0.11 0.00 0.00 0.00 0.00 51.96 51.88 1xg0 s ALA 146 Cb 0.31 -3.11 0.08 0.00 0.00 0.00 0.00 23.12 20.40 1xg0 s ALA 146 CO 0.13 -3.01 1.09 -1.54 0.00 0.00 0.00 175.76 172.44 1xg0 s SER 147 N -3.40 4.14 0.29 0.00 1.04 -1.26 -4.86 113.70 109.66 1xg0 s SER 147 Ca 0.66 1.74 0.03 0.00 0.48 0.00 0.00 55.95 58.87 1xg0 s SER 147 Cb -0.19 -2.42 0.74 0.00 0.10 0.00 0.00 66.02 64.24 1xg0 s SER 147 CO 0.58 -2.25 1.67 -0.61 0.98 0.00 0.00 173.24 173.61 1xg0 h GLN 148 N -1.28 0.28 0.00 4.02 5.75 -1.94 -0.01 115.11 121.93 1xg0 h GLN 148 Ca -0.45 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 1xg0 h GLN 148 Cb 1.25 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.73 1xg0 h GLN 148 CO 0.52 0.19 0.00 -0.22 -2.65 0.00 0.00 178.83 176.66 1xg0 h LYS 149 N 0.29 0.00 -0.01 1.69 1.63 -1.97 -1.80 116.57 116.40 1xg0 h LYS 149 Ca 0.56 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.36 1xg0 h LYS 149 Cb 1.12 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 1xg0 h LYS 149 CO -0.60 0.00 -0.40 1.63 -3.45 0.00 0.00 179.45 176.63 1xg0 n LYS 150 N -2.90 1.05 -3.91 1.90 5.02 -0.02 -4.96 118.16 114.34 1xg0 n LYS 150 Ca -0.01 -0.79 -0.34 0.00 -2.02 0.00 0.00 58.31 55.15 1xg0 n LYS 150 Cb 0.16 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 1xg0 n LYS 150 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xg0 s LEU 151 N -2.50 4.35 0.00 -0.35 1.43 -0.68 -5.00 118.68 115.94 1xg0 s LEU 151 Ca 0.20 0.36 0.29 0.00 -1.03 0.00 0.00 54.13 53.95 1xg0 s LEU 151 Cb 0.18 -2.52 1.29 0.00 0.03 0.00 0.00 46.19 45.18 1xg0 s LEU 151 CO 0.56 0.29 1.90 -1.54 0.23 0.00 0.00 176.35 177.79 1xg0 n SER 152 N 1.11 0.35 -4.44 2.29 3.41 -1.26 -4.90 113.62 110.18 1xg0 n SER 152 Ca -0.12 -0.47 -0.22 0.00 -0.26 0.00 0.00 58.87 57.79 1xg0 n SER 152 Cb 0.53 -0.12 -0.10 0.00 -0.26 0.00 0.00 64.21 64.26 1xg0 n SER 152 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1xg0 s THR 153 N -2.50 2.14 0.28 6.66 -4.23 -1.26 -5.11 115.64 111.62 1xg0 s THR 153 Ca 0.29 -2.29 -0.30 0.00 -1.18 0.00 0.00 61.69 58.21 1xg0 s THR 153 Cb 0.20 -2.30 -0.11 0.00 1.34 0.00 0.00 72.50 71.63 1xg0 s THR 153 CO 0.47 -0.41 1.52 -2.84 -0.54 0.00 0.00 174.62 172.82 1xg0 s PRO 154 N -3.59 4.19 0.37 3.99 0.02 -1.26 -4.90 135.00 133.82 1xg0 s PRO 154 Ca 0.28 2.45 -0.28 0.00 0.02 0.00 0.00 61.00 63.48 1xg0 s PRO 154 Cb -0.02 -3.06 -0.10 0.00 0.02 0.00 0.00 34.50 31.34 1xg0 s PRO 154 CO 0.13 -0.53 1.36 -1.14 -0.33 0.00 0.00 177.00 176.49 1xg0 s GLN 155 N -0.50 4.13 -0.06 5.54 -0.44 -1.26 -4.96 119.66 122.11 1xg0 s GLN 155 Ca 0.61 2.31 -0.21 0.00 -2.50 0.00 0.00 55.36 55.57 1xg0 s GLN 155 Cb -0.45 -2.93 0.07 0.00 -1.64 0.00 0.00 33.01 28.06 1xg0 s GLN 155 CO 0.46 -0.41 0.95 0.41 0.50 0.00 0.00 175.29 177.20 1xg0 n GLY 156 N 0.65 0.21 3.44 2.59 0.00 -1.26 -5.13 105.19 105.70 1xg0 n GLY 156 Ca 0.02 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 1xg0 n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xg0 s ASP 157 N -3.09 6.14 -0.27 1.61 2.15 -1.26 -4.90 116.67 117.05 1xg0 s ASP 157 Ca 0.23 -0.98 0.12 0.00 0.43 0.00 0.00 52.55 52.34 1xg0 s ASP 157 Cb -0.00 -2.18 0.64 0.00 -0.30 0.00 0.00 42.92 41.07 1xg0 s ASP 157 CO -0.02 -0.54 1.62 0.00 -0.17 0.00 0.00 175.17 176.07 1xg0 h SER 159 N 2.09 0.30 -0.11 0.00 4.64 -1.90 -1.60 113.55 116.97 1xg0 h SER 159 Ca 0.17 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 1xg0 h SER 159 Cb 1.93 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.94 1xg0 h SER 159 CO 0.51 0.30 0.03 1.23 -0.87 0.00 0.00 176.83 178.03 1xg0 h GLY 160 N 0.51 0.18 1.63 -0.77 0.00 -2.00 -0.86 103.07 101.76 1xg0 h GLY 160 Ca 0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1xg0 h GLY 160 CO -0.01 0.10 -0.05 1.41 0.00 0.00 0.00 176.54 178.00 1xg0 h LEU 161 N -0.02 0.43 -0.55 3.11 3.38 -1.86 -0.40 115.31 119.40 1xg0 h LEU 161 Ca 0.03 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1xg0 h LEU 161 Cb 0.23 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1xg0 h LEU 161 CO -0.00 0.53 0.09 0.00 0.09 0.00 0.00 178.44 179.15 1xg0 h ALA 162 N 1.52 0.73 -0.77 1.53 0.00 -1.02 -0.37 119.26 120.88 1xg0 h ALA 162 Ca 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1xg0 h ALA 162 Cb 0.36 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1xg0 h ALA 162 CO 0.02 0.47 0.44 0.77 0.00 0.00 0.00 179.25 180.95 1xg0 h SER 163 N 0.80 0.95 -0.17 0.00 0.02 -0.59 -1.15 113.55 113.41 1xg0 h SER 163 Ca 0.17 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1xg0 h SER 163 Cb 0.41 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1xg0 h SER 163 CO 0.01 0.76 0.10 -0.08 -1.14 0.00 0.00 176.83 176.48 1xg0 h GLU 164 N 1.06 0.24 -0.48 3.45 4.81 -0.75 -1.24 114.58 121.67 1xg0 h GLU 164 Ca 0.27 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.41 1xg0 h GLU 164 Cb 0.00 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1xg0 h GLU 164 CO -0.05 0.22 0.02 -0.24 -0.73 0.00 0.00 179.01 178.24 1xg0 h VAL 165 N 0.19 1.24 -0.76 0.32 3.04 -0.97 -1.81 116.25 117.49 1xg0 h VAL 165 Ca 0.06 -0.96 0.08 0.00 -1.01 0.00 0.00 66.70 64.87 1xg0 h VAL 165 Cb 0.05 0.84 -0.07 0.00 -2.01 0.00 0.00 31.29 30.10 1xg0 h VAL 165 CO -0.01 0.34 0.42 1.23 -1.01 0.00 0.00 177.57 178.54 1xg0 h GLY 166 N 0.97 1.15 1.34 3.17 0.00 -0.86 -1.66 103.07 107.18 1xg0 h GLY 166 Ca 0.15 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1xg0 h GLY 166 CO 0.02 0.14 0.41 -1.33 0.00 0.00 0.00 176.54 175.77 1xg0 h GLY 167 N 0.74 0.93 0.92 4.60 0.00 -0.38 -0.04 103.07 109.84 1xg0 h GLY 167 Ca 0.36 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 1xg0 h GLY 167 CO -0.23 0.36 0.03 -0.97 0.00 0.00 0.00 176.54 175.74 1xg0 h TYR 168 N 0.89 0.67 -0.93 5.60 0.05 -0.93 -1.60 116.97 120.73 1xg0 h TYR 168 Ca 0.24 -0.10 0.04 0.00 0.05 0.00 0.00 58.73 58.95 1xg0 h TYR 168 Cb -0.06 -0.18 -0.05 0.00 1.01 0.00 0.00 36.73 37.45 1xg0 h TYR 168 CO 0.00 0.70 0.61 0.74 -1.05 0.00 0.00 178.16 179.16 1xg0 h PHE 169 N 0.46 1.12 -0.29 4.88 -1.00 -0.95 -2.18 116.94 118.98 1xg0 h PHE 169 Ca 0.11 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.88 1xg0 h PHE 169 Cb 0.41 -0.37 -0.02 0.00 3.61 0.00 0.00 35.95 39.58 1xg0 h PHE 169 CO 0.03 0.64 0.02 -0.44 -1.61 0.00 0.00 178.31 176.95 1xg0 h ASP 170 N 1.15 0.40 -0.63 2.17 3.32 -0.61 -0.35 116.42 121.87 1xg0 h ASP 170 Ca 0.38 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.31 1xg0 h ASP 170 Cb 0.05 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1xg0 h ASP 170 CO -0.12 0.44 0.20 0.11 -1.72 0.00 0.00 179.24 178.15 1xg0 h LYS 171 N 0.42 1.01 0.18 3.56 1.57 -0.68 -0.27 116.57 122.36 1xg0 h LYS 171 Ca 0.10 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1xg0 h LYS 171 Cb 0.24 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1xg0 h LYS 171 CO 0.00 0.87 -0.09 0.28 -0.57 0.00 0.00 179.45 179.95 1xg0 h VAL 172 N 0.97 0.85 -0.58 0.50 2.07 -0.84 -1.75 116.25 117.48 1xg0 h VAL 172 Ca 0.21 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.70 1xg0 h VAL 172 Cb 0.29 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 1xg0 h VAL 172 CO -0.01 0.03 0.22 0.74 0.02 0.00 0.00 177.57 178.57 1xg0 h THR 173 N -0.30 0.80 -0.49 2.57 2.02 -0.87 -1.69 112.91 114.96 1xg0 h THR 173 Ca -0.03 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 66.94 1xg0 h THR 173 Cb 0.23 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1xg0 h THR 173 CO 0.04 0.07 0.02 0.00 0.37 0.00 0.00 175.52 176.03 1xg0 h ALA 174 N 1.38 1.11 -0.27 6.16 0.00 -0.94 -1.21 119.26 125.50 1xg0 h ALA 174 Ca 0.28 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1xg0 h ALA 174 Cb 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1xg0 h ALA 174 CO -0.28 0.57 -0.40 0.00 0.00 0.00 0.00 179.25 179.15 1xg0 h ALA 175 N 1.26 0.80 0.00 0.00 0.00 -0.48 -3.34 119.26 117.50 1xg0 h ALA 175 Ca 0.15 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xg0 h ALA 175 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1xg0 h ALA 175 CO 0.02 0.65 -0.89 0.44 0.00 0.00 0.00 179.25 179.46 1xg0 n ILE 176 N -4.04 0.00 1.42 0.00 -5.35 -0.71 -4.51 119.36 106.17 1xg0 n ILE 176 Ca -0.02 -0.17 0.11 0.00 -0.27 0.00 0.00 62.75 62.41 1xg0 n ILE 176 Cb 0.52 0.87 0.68 0.00 -1.74 0.00 0.00 39.64 39.96 1xg0 n ILE 176 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59