#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkg s ILE 5 N 0.00 3.85 -0.02 -1.33 1.01 -1.26 -4.86 121.20 118.59 1xkg s ILE 5 Ca 0.00 0.97 0.04 0.00 0.00 0.00 0.00 60.65 61.67 1xkg s ILE 5 Cb 0.00 -3.80 -0.07 0.00 0.01 0.00 0.00 42.46 38.61 1xkg s ILE 5 CO 0.00 -0.27 0.07 0.29 0.00 0.00 0.00 174.94 175.03 1xkg n LYS 6 N 7.38 1.08 -4.11 2.79 5.02 -1.26 -4.94 118.16 124.12 1xkg n LYS 6 Ca 0.17 -0.03 -0.30 0.00 -2.02 0.00 0.00 58.31 56.13 1xkg n LYS 6 Cb 0.45 -1.11 -0.07 0.00 -0.02 0.00 0.00 35.03 34.28 1xkg n LYS 6 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1xkg s THR 7 N -2.25 4.17 0.21 -0.18 -4.23 -1.26 -5.00 115.64 107.10 1xkg s THR 7 Ca -0.02 -0.96 -0.04 0.00 -1.18 0.00 0.00 61.69 59.49 1xkg s THR 7 Cb 0.02 -3.01 0.03 0.00 1.34 0.00 0.00 72.50 70.88 1xkg s THR 7 CO 0.19 0.09 1.62 0.15 -0.54 0.00 0.00 174.62 176.13 1xkg h PHE 8 N 3.28 0.88 -0.32 3.99 3.57 -1.96 -0.56 116.94 125.82 1xkg h PHE 8 Ca -0.47 -0.20 0.04 0.00 3.53 0.00 0.00 57.97 60.87 1xkg h PHE 8 Cb 1.17 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 1xkg h PHE 8 CO 0.61 0.93 0.08 1.49 -2.23 0.00 0.00 178.31 179.19 1xkg h GLU 9 N 0.67 0.20 -0.38 1.11 4.22 -2.00 0.28 114.58 118.69 1xkg h GLU 9 Ca 0.09 -0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.55 1xkg h GLU 9 Cb 0.74 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1xkg h GLU 9 CO 0.06 0.13 0.19 0.93 -2.18 0.00 0.00 179.01 178.15 1xkg h GLU 10 N 0.21 0.39 -0.38 1.92 5.08 -1.91 -2.76 114.58 117.12 1xkg h GLU 10 Ca 0.15 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1xkg h GLU 10 Cb 0.15 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 1xkg h GLU 10 CO -0.18 0.26 0.11 -0.92 -1.00 0.00 0.00 179.01 177.28 1xkg h TYR 11 N 0.40 0.20 -0.75 4.33 3.20 -0.32 0.55 116.97 124.59 1xkg h TYR 11 Ca 0.16 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1xkg h TYR 11 Cb 0.06 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 1xkg h TYR 11 CO -0.09 0.07 0.32 0.87 -1.64 0.00 0.00 178.16 177.68 1xkg h LYS 12 N 0.26 1.10 0.13 1.82 1.57 -0.83 -1.34 116.57 119.28 1xkg h LYS 12 Ca 0.18 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1xkg h LYS 12 Cb 0.18 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1xkg h LYS 12 CO -0.20 0.88 -0.06 0.87 -0.57 0.00 0.00 179.45 180.36 1xkg h LYS 13 N 1.08 -0.17 -0.79 3.15 1.57 -1.17 0.14 116.57 120.38 1xkg h LYS 13 Ca 0.25 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.12 1xkg h LYS 13 Cb 0.18 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 1xkg h LYS 13 CO -0.02 0.15 0.51 0.00 -0.57 0.00 0.00 179.45 179.52 1xkg h ALA 14 N 0.31 1.69 -0.41 3.86 0.00 -0.53 -2.06 119.26 122.12 1xkg h ALA 14 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xkg h ALA 14 Cb 0.40 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xkg h ALA 14 CO 0.03 0.18 0.00 1.19 0.00 0.00 0.00 179.25 180.65 1xkg n PHE 15 N -4.49 0.81 -3.86 0.00 3.72 -0.54 -4.99 117.46 108.11 1xkg n PHE 15 Ca 0.12 -0.62 -0.24 0.00 -0.05 0.00 0.00 57.45 56.66 1xkg n PHE 15 Cb 0.26 -0.14 -0.00 0.00 -0.94 0.00 0.00 39.48 38.66 1xkg n PHE 15 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1xkg n ASN 16 N 0.44 -0.69 -4.77 4.37 5.15 -0.18 -4.90 115.26 114.67 1xkg n ASN 16 Ca 0.18 -0.95 -0.40 0.00 -0.60 0.00 0.00 54.58 52.81 1xkg n ASN 16 Cb 0.65 -3.38 -0.06 0.00 -0.53 0.00 0.00 39.78 36.45 1xkg n ASN 16 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1xkg s LYS 17 N -6.35 4.63 0.04 1.20 -0.14 0.31 -5.03 119.74 114.40 1xkg s LYS 17 Ca 0.01 1.23 0.02 0.00 -1.36 0.00 0.00 55.97 55.87 1xkg s LYS 17 Cb -0.00 -3.27 -0.02 0.00 -1.68 0.00 0.00 37.83 32.86 1xkg s LYS 17 CO 0.86 0.56 -0.07 -1.54 -0.76 0.00 0.00 175.35 174.40 1xkg s SER 18 N -1.15 0.75 0.06 2.83 1.04 -1.26 -4.90 113.70 111.06 1xkg s SER 18 Ca 0.37 -0.53 0.06 0.00 0.48 0.00 0.00 55.95 56.32 1xkg s SER 18 Cb -0.24 0.04 -0.03 0.00 0.10 0.00 0.00 66.02 65.90 1xkg s SER 18 CO 0.27 -0.21 -0.16 -0.31 0.98 0.00 0.00 173.24 173.82 1xkg s TYR 19 N -1.37 1.34 0.21 5.02 2.02 -1.26 -5.05 117.35 118.27 1xkg s TYR 19 Ca -0.11 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.21 1xkg s TYR 19 Cb -0.10 -0.77 0.17 0.00 -0.40 0.00 0.00 41.96 40.86 1xkg s TYR 19 CO 0.00 0.07 1.52 0.00 -1.57 0.00 0.00 175.55 175.57 1xkg h ALA 20 N 4.58 0.76 -2.37 3.71 0.00 -2.02 -3.46 119.26 120.46 1xkg h ALA 20 Ca -0.40 -0.55 -0.15 0.00 0.00 0.00 0.00 54.91 53.80 1xkg h ALA 20 Cb 1.18 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 1xkg h ALA 20 CO 0.42 0.73 -0.64 0.95 0.00 0.00 0.00 179.25 180.71 1xkg s THR 21 N -3.77 0.15 0.23 0.00 -4.23 -1.26 -5.05 115.64 101.72 1xkg s THR 21 Ca -0.05 -1.83 -0.08 0.00 -1.18 0.00 0.00 61.69 58.55 1xkg s THR 21 Cb 0.11 -1.81 0.20 0.00 1.34 0.00 0.00 72.50 72.35 1xkg s THR 21 CO 0.82 -0.67 1.89 0.15 -0.54 0.00 0.00 174.62 176.26 1xkg h PHE 22 N 2.96 1.06 -0.53 3.99 3.57 -1.99 -1.46 116.94 124.55 1xkg h PHE 22 Ca -0.34 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.25 1xkg h PHE 22 Cb 1.18 -0.36 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 1xkg h PHE 22 CO 0.47 0.64 0.19 1.49 -2.23 0.00 0.00 178.31 178.87 1xkg h GLU 23 N 1.12 0.36 -0.59 1.11 4.81 -1.99 0.19 114.58 119.59 1xkg h GLU 23 Ca 0.33 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.52 1xkg h GLU 23 Cb -0.07 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 1xkg h GLU 23 CO -0.09 0.24 0.29 -0.44 -0.73 0.00 0.00 179.01 178.27 1xkg h ASP 24 N 0.37 0.77 -0.57 1.04 3.32 -1.87 -1.92 116.42 117.56 1xkg h ASP 24 Ca 0.26 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 1xkg h ASP 24 Cb 0.28 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1xkg h ASP 24 CO -0.26 0.69 -0.03 -0.08 -1.72 0.00 0.00 179.24 177.84 1xkg h GLU 25 N 0.81 1.04 -0.08 3.56 4.81 -0.31 -0.87 114.58 123.55 1xkg h GLU 25 Ca 0.20 -0.34 -0.19 0.00 -0.13 0.00 0.00 59.36 58.90 1xkg h GLU 25 Cb 0.12 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1xkg h GLU 25 CO -0.03 1.03 -0.75 1.49 -0.73 0.00 0.00 179.01 180.03 1xkg h GLU 26 N 0.95 0.43 -0.67 1.92 4.57 -0.52 -1.04 114.58 120.22 1xkg h GLU 26 Ca 0.16 -0.36 -0.01 0.00 -1.18 0.00 0.00 59.36 57.97 1xkg h GLU 26 Cb 0.58 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.22 1xkg h GLU 26 CO 0.03 1.00 0.37 0.00 -1.18 0.00 0.00 179.01 179.23 1xkg h ALA 27 N 0.89 0.86 -0.78 2.92 0.00 -1.22 -1.76 119.26 120.17 1xkg h ALA 27 Ca -0.04 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1xkg h ALA 27 Cb 1.33 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1xkg h ALA 27 CO 0.13 0.38 0.49 0.00 0.00 0.00 0.00 179.25 180.25 1xkg h ALA 28 N 1.18 1.03 -0.05 0.00 0.00 -0.87 0.67 119.26 121.22 1xkg h ALA 28 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1xkg h ALA 28 Cb 0.04 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1xkg h ALA 28 CO -0.04 0.29 0.03 -0.09 0.00 0.00 0.00 179.25 179.45 1xkg h ARG 29 N 0.96 0.06 -0.21 0.00 2.43 -0.92 0.24 114.38 116.94 1xkg h ARG 29 Ca 0.31 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.50 1xkg h ARG 29 Cb 0.03 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1xkg h ARG 29 CO -0.12 0.06 0.05 0.87 -1.51 0.00 0.00 179.97 179.32 1xkg h LYS 30 N 0.05 0.14 -0.68 0.20 1.57 -0.77 -1.10 116.57 115.97 1xkg h LYS 30 Ca 0.02 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1xkg h LYS 30 Cb 0.01 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1xkg h LYS 30 CO -0.00 0.09 0.20 -0.91 -0.57 0.00 0.00 179.45 178.25 1xkg h ASN 31 N 0.14 1.01 -0.50 0.86 2.35 -0.69 -1.87 115.58 116.88 1xkg h ASN 31 Ca 0.09 -0.22 0.03 0.00 -0.55 0.00 0.00 56.30 55.66 1xkg h ASN 31 Cb 0.08 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.15 1xkg h ASN 31 CO -0.11 0.96 0.29 0.15 -1.65 0.00 0.00 177.43 177.07 1xkg h PHE 32 N 1.01 0.53 -0.92 1.19 3.57 -0.20 0.05 116.94 122.16 1xkg h PHE 32 Ca 0.22 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 1xkg h PHE 32 Cb 0.33 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 1xkg h PHE 32 CO 0.03 0.29 0.56 -0.07 -2.23 0.00 0.00 178.31 176.89 1xkg h LEU 33 N 0.57 1.10 -0.57 0.59 3.38 -0.89 -0.09 115.31 119.40 1xkg h LEU 33 Ca 0.21 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1xkg h LEU 33 Cb 0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1xkg h LEU 33 CO -0.11 0.84 -0.02 -0.33 0.09 0.00 0.00 178.44 178.90 1xkg h GLU 34 N 1.27 1.02 -0.94 1.13 4.39 -0.83 -2.18 114.58 118.44 1xkg h GLU 34 Ca 0.33 -0.34 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1xkg h GLU 34 Cb -0.07 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.45 1xkg h GLU 34 CO -0.06 1.02 0.62 0.77 -1.16 0.00 0.00 179.01 180.19 1xkg h SER 35 N 0.90 1.05 -0.51 1.42 0.02 -0.06 -0.39 113.55 115.98 1xkg h SER 35 Ca 0.16 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1xkg h SER 35 Cb 0.58 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1xkg h SER 35 CO 0.03 0.75 0.28 0.58 -1.14 0.00 0.00 176.83 177.33 1xkg h VAL 36 N 1.23 1.17 -0.95 2.27 2.07 -0.79 -0.03 116.25 121.23 1xkg h VAL 36 Ca 0.36 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1xkg h VAL 36 Cb -0.09 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 1xkg h VAL 36 CO -0.09 0.18 0.63 0.11 0.02 0.00 0.00 177.57 178.42 1xkg h LYS 37 N 0.67 1.21 0.33 1.57 1.57 -0.74 0.30 116.57 121.49 1xkg h LYS 37 Ca 0.18 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1xkg h LYS 37 Cb 0.04 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.08 1xkg h LYS 37 CO -0.03 0.80 -0.16 -0.92 -0.57 0.00 0.00 179.45 178.58 1xkg h TYR 38 N 1.25 -0.41 -0.58 -1.35 3.20 -0.45 -3.03 116.97 115.60 1xkg h TYR 38 Ca 0.36 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.14 1xkg h TYR 38 Cb -0.08 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 1xkg h TYR 38 CO -0.00 -0.15 0.05 0.28 -1.64 0.00 0.00 178.16 176.69 1xkg h VAL 39 N -0.61 1.26 -0.31 1.81 2.07 -0.71 -0.41 116.25 119.35 1xkg h VAL 39 Ca -0.05 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 1xkg h VAL 39 Cb 0.44 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1xkg h VAL 39 CO 0.07 0.38 0.10 1.56 0.02 0.00 0.00 177.57 179.71 1xkg h GLN 40 N 0.91 0.43 0.10 1.57 4.20 -0.95 -0.28 115.11 121.09 1xkg h GLN 40 Ca 0.18 -0.05 -0.35 0.00 0.06 0.00 0.00 58.65 58.48 1xkg h GLN 40 Cb 0.47 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 1xkg h GLN 40 CO 0.02 0.38 -1.98 0.45 -0.67 0.00 0.00 178.83 177.03 1xkg n SER 41 N -4.39 1.88 -0.00 1.46 2.88 -1.06 -4.63 113.62 109.76 1xkg n SER 41 Ca 0.01 0.23 0.07 0.00 -1.33 0.00 0.00 58.87 57.85 1xkg n SER 41 Cb 0.15 -0.69 -0.09 0.00 -0.75 0.00 0.00 64.21 62.83 1xkg n SER 41 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1xkg n ASN 42 N -3.39 0.91 0.00 -3.46 3.02 -0.19 -5.11 115.26 107.04 1xkg n ASN 42 Ca -0.30 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 1xkg n ASN 42 Cb 1.05 1.18 0.00 0.00 -0.61 0.00 0.00 39.78 41.39 1xkg n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xkg n GLY 43 N 1.42 -0.17 0.00 7.41 0.00 -0.12 -5.02 105.19 108.71 1xkg n GLY 43 Ca 0.01 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1xkg n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xkg n GLY 44 N -0.24 -2.04 3.06 -0.02 0.00 -1.26 -4.50 105.19 100.20 1xkg n GLY 44 Ca 0.00 -2.08 -0.12 0.00 0.00 0.00 0.00 46.02 43.81 1xkg n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkg s ALA 45 N -1.82 -0.42 0.32 4.61 0.00 0.12 -4.89 121.76 119.67 1xkg s ALA 45 Ca 0.00 0.45 -0.29 0.00 0.00 0.00 0.00 51.96 52.12 1xkg s ALA 45 Cb 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 23.12 22.74 1xkg s ALA 45 CO 0.00 -0.09 1.34 -0.89 0.00 0.00 0.00 175.76 176.12 1xkg n ILE 46 N 2.88 1.77 -3.63 0.00 2.08 -1.26 -4.71 119.36 116.49 1xkg n ILE 46 Ca -0.13 -0.44 0.00 0.00 0.56 0.00 0.00 62.75 62.74 1xkg n ILE 46 Cb 0.59 -1.60 0.00 0.00 -0.75 0.00 0.00 39.64 37.88 1xkg n ILE 46 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1xkg n ASN 47 N 1.06 0.00 0.12 4.38 0.23 -1.26 -5.03 115.26 114.75 1xkg n ASN 47 Ca 0.06 -0.99 0.10 0.00 -0.53 0.00 0.00 54.58 53.22 1xkg n ASN 47 Cb 0.35 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.52 1xkg n ASN 47 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xkg n HIS 48 N 0.00 0.63 1.14 -2.53 1.44 -1.26 -1.49 115.22 113.15 1xkg n HIS 48 Ca 0.00 0.28 0.12 0.00 -2.01 0.00 0.00 57.72 56.11 1xkg n HIS 48 Cb 0.00 -0.95 0.25 0.00 0.12 0.00 0.00 29.99 29.41 1xkg n HIS 48 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1xkg n LEU 49 N -2.11 1.08 0.18 2.39 4.77 -1.26 -4.43 117.00 117.62 1xkg n LEU 49 Ca 0.01 -0.31 0.14 0.00 -0.03 0.00 0.00 56.01 55.82 1xkg n LEU 49 Cb 0.14 -0.12 0.54 0.00 -2.33 0.00 0.00 43.42 41.65 1xkg n LEU 49 CO 0.14 0.21 0.90 0.28 -1.33 0.00 0.00 177.39 177.60 1xkg h SER 50 N 1.07 0.00 -0.16 -1.43 0.02 -1.65 -2.82 113.55 108.57 1xkg h SER 50 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xkg h SER 50 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1xkg h SER 50 CO 0.00 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 174.79 1xkg n ASP 51 N -2.57 1.66 -4.88 3.07 5.75 -1.26 -3.09 116.55 115.22 1xkg n ASP 51 Ca 0.02 -1.71 -0.31 0.00 -0.01 0.00 0.00 54.79 52.78 1xkg n ASP 51 Cb 0.29 -0.10 -0.05 0.00 -1.03 0.00 0.00 41.12 40.22 1xkg n ASP 51 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1xkg s LEU 52 N -1.57 4.17 0.67 -2.12 1.43 -1.07 -4.24 118.68 115.94 1xkg s LEU 52 Ca 0.32 0.86 -0.13 0.00 -1.03 0.00 0.00 54.13 54.15 1xkg s LEU 52 Cb 0.17 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.77 1xkg s LEU 52 CO 0.26 -0.07 1.06 -0.94 0.23 0.00 0.00 176.35 176.89 1xkg s SER 53 N -2.46 5.41 0.35 2.29 1.04 -1.26 -4.80 113.70 114.27 1xkg s SER 53 Ca 0.46 1.72 0.06 0.00 0.48 0.00 0.00 55.95 58.67 1xkg s SER 53 Cb -0.11 -2.51 0.73 0.00 0.10 0.00 0.00 66.02 64.23 1xkg s SER 53 CO 0.23 -1.42 1.93 -0.07 0.98 0.00 0.00 173.24 174.89 1xkg h LEU 54 N -0.34 0.69 -0.26 2.42 3.38 -1.97 0.12 115.31 119.36 1xkg h LEU 54 Ca -0.45 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 1xkg h LEU 54 Cb 1.22 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1xkg h LEU 54 CO 0.56 0.43 0.13 -0.78 0.09 0.00 0.00 178.44 178.87 1xkg h ASP 55 N 0.78 0.33 -0.65 -0.43 3.58 -1.99 -0.13 116.42 117.91 1xkg h ASP 55 Ca 0.35 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 1xkg h ASP 55 Cb 0.35 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 1xkg h ASP 55 CO -0.13 0.35 0.38 -0.33 -2.88 0.00 0.00 179.24 176.63 1xkg h GLU 56 N 0.29 0.89 -0.30 0.28 5.08 -1.79 -0.08 114.58 118.95 1xkg h GLU 56 Ca 0.09 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xkg h GLU 56 Cb 0.10 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1xkg h GLU 56 CO -0.01 0.65 0.19 0.35 -1.00 0.00 0.00 179.01 179.19 1xkg h PHE 57 N 0.88 0.38 -0.31 4.33 3.57 -0.55 -0.02 116.94 125.22 1xkg h PHE 57 Ca 0.23 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.59 1xkg h PHE 57 Cb 0.00 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1xkg h PHE 57 CO -0.01 0.26 -0.39 1.57 -2.23 0.00 0.00 178.31 177.51 1xkg h LYS 58 N 0.39 0.74 -0.16 1.11 2.10 -0.87 -0.78 116.57 119.11 1xkg h LYS 58 Ca 0.11 -0.38 -0.10 0.00 -2.00 0.00 0.00 60.65 58.28 1xkg h LYS 58 Cb -0.02 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.31 1xkg h LYS 58 CO -0.02 1.00 -0.32 -0.91 -2.00 0.00 0.00 179.45 177.20 1xkg h ASN 59 N 0.61 0.32 0.11 7.07 2.35 -0.73 -2.50 115.58 122.82 1xkg h ASN 59 Ca 0.05 -0.12 -0.37 0.00 -0.55 0.00 0.00 56.30 55.32 1xkg h ASN 59 Cb 0.94 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 39.17 1xkg h ASN 59 CO 0.09 0.64 -2.19 0.54 -1.65 0.00 0.00 177.43 174.86 1xkg n ARG 60 N -4.09 0.69 -0.05 0.81 1.74 -0.04 -4.59 116.66 111.14 1xkg n ARG 60 Ca -0.01 0.19 0.02 0.00 -0.77 0.00 0.00 57.85 57.28 1xkg n ARG 60 Cb 0.43 -1.63 -0.16 0.00 -1.02 0.00 0.00 32.46 30.08 1xkg n ARG 60 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1xkg n PHE 61 N -3.25 0.00 -4.64 -1.55 3.72 -0.31 -2.12 117.46 109.31 1xkg n PHE 61 Ca -0.35 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.76 1xkg n PHE 61 Cb 1.04 -0.68 -0.10 0.00 -0.94 0.00 0.00 39.48 38.80 1xkg n PHE 61 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1xkg s LEU 62 N -4.87 2.63 -0.18 4.37 1.43 -0.94 -4.57 118.68 116.55 1xkg s LEU 62 Ca -0.08 -1.46 -0.07 0.00 -1.03 0.00 0.00 54.13 51.49 1xkg s LEU 62 Cb 0.10 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.49 1xkg s LEU 62 CO 0.83 -0.59 0.06 -0.32 0.23 0.00 0.00 176.35 176.56 1xkg s MET 63 N -3.77 3.96 0.76 1.70 -2.45 -0.12 -4.71 119.30 114.66 1xkg s MET 63 Ca 0.27 -0.35 -0.13 0.00 -1.25 0.00 0.00 55.69 54.22 1xkg s MET 63 Cb 0.07 -3.20 0.06 0.00 1.25 0.00 0.00 34.83 33.01 1xkg s MET 63 CO 0.14 0.27 1.14 -1.54 1.05 0.00 0.00 175.02 176.08 1xkg s SER 64 N 0.37 4.22 0.23 1.11 1.04 -1.26 -0.76 113.70 118.66 1xkg s SER 64 Ca 0.03 2.11 -0.07 0.00 0.48 0.00 0.00 55.95 58.50 1xkg s SER 64 Cb -0.12 -2.56 0.28 0.00 0.10 0.00 0.00 66.02 63.71 1xkg s SER 64 CO 0.00 -2.23 1.87 0.00 0.98 0.00 0.00 173.24 173.86 1xkg h ALA 65 N -0.73 1.12 -0.63 5.32 0.00 -1.96 -0.46 119.26 121.93 1xkg h ALA 65 Ca -0.46 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.44 1xkg h ALA 65 Cb 1.26 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1xkg h ALA 65 CO 0.49 0.33 0.42 1.49 0.00 0.00 0.00 179.25 181.98 1xkg h GLU 66 N 1.01 0.83 -0.62 0.00 4.81 -1.92 0.12 114.58 118.81 1xkg h GLU 66 Ca 0.35 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 1xkg h GLU 66 Cb 0.07 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 1xkg h GLU 66 CO -0.14 0.55 0.20 0.00 -0.73 0.00 0.00 179.01 178.89 1xkg h ALA 67 N 1.23 0.81 -0.13 2.92 0.00 -1.78 -1.45 119.26 120.87 1xkg h ALA 67 Ca 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xkg h ALA 67 Cb -0.09 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1xkg h ALA 67 CO -0.05 0.47 0.02 0.35 0.00 0.00 0.00 179.25 180.04 1xkg h PHE 68 N 0.89 0.22 -0.91 0.00 3.57 -0.75 -2.94 116.94 117.01 1xkg h PHE 68 Ca 0.20 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.72 1xkg h PHE 68 Cb 0.28 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 1xkg h PHE 68 CO 0.02 0.39 0.60 0.93 -2.23 0.00 0.00 178.31 178.01 1xkg h GLU 69 N -0.02 1.06 -0.86 1.11 4.39 -0.65 -0.52 114.58 119.09 1xkg h GLU 69 Ca 0.04 -0.06 0.10 0.00 0.34 0.00 0.00 59.36 59.78 1xkg h GLU 69 Cb 0.29 -0.24 -0.06 0.00 -0.10 0.00 0.00 28.75 28.64 1xkg h GLU 69 CO 0.00 0.70 0.56 0.45 -1.16 0.00 0.00 179.01 179.56 1xkg h HIS 70 N 1.10 0.88 -0.34 4.33 3.86 -1.10 -2.55 115.15 121.33 1xkg h HIS 70 Ca 0.37 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 1xkg h HIS 70 Cb 0.09 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.28 1xkg h HIS 70 CO -0.00 0.40 0.00 1.28 0.86 0.00 0.00 177.93 180.47 1xkg n LEU 71 N -4.53 3.30 -0.32 2.43 4.77 -0.50 -4.66 117.00 117.49 1xkg n LEU 71 Ca 0.15 -1.38 0.04 0.00 -0.03 0.00 0.00 56.01 54.78 1xkg n LEU 71 Cb 0.33 -0.21 0.18 0.00 -2.33 0.00 0.00 43.42 41.39 1xkg n LEU 71 CO 0.31 0.69 1.18 0.50 -1.33 0.00 0.00 177.39 178.74 1xkg h LYS 72 N 4.35 0.87 0.00 3.23 3.64 -0.70 -0.23 116.57 127.73 1xkg h LYS 72 Ca 0.00 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1xkg h LYS 72 Cb 0.96 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1xkg h LYS 72 CO 0.00 0.57 -0.15 1.79 -2.27 0.00 0.00 179.45 179.39 1xkg h THR 73 N 0.89 0.62 -0.02 1.00 1.35 -1.83 -1.29 112.91 113.64 1xkg h THR 73 Ca 0.43 -0.67 -0.10 0.00 -0.55 0.00 0.00 66.41 65.51 1xkg h THR 73 Cb 0.36 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1xkg h THR 73 CO -0.24 0.15 -0.46 1.56 -0.25 0.00 0.00 175.52 176.28 1xkg h GLN 74 N 0.00 0.05 0.00 4.72 4.20 -1.38 -2.82 115.11 119.87 1xkg h GLN 74 Ca -0.00 -0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.56 1xkg h GLN 74 Cb 0.42 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1xkg h GLN 74 CO 0.02 0.50 -0.61 0.74 -0.67 0.00 0.00 178.83 178.81 1xkg h PHE 75 N 0.04 0.00 -2.79 2.96 0.04 -1.17 -3.49 116.94 112.53 1xkg h PHE 75 Ca -0.00 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.21 1xkg h PHE 75 Cb 0.83 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.96 1xkg h PHE 75 CO 0.00 0.61 0.97 -0.51 -0.60 0.00 0.00 178.31 178.78 1xkg s ASP 76 N -6.68 6.83 -0.61 2.17 1.01 -0.88 -5.02 116.67 113.49 1xkg s ASP 76 Ca -0.00 1.95 -0.02 0.00 0.71 0.00 0.00 52.55 55.19 1xkg s ASP 76 Cb 0.11 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.51 1xkg s ASP 76 CO 0.75 -0.82 0.27 -3.20 0.21 0.00 0.00 175.17 172.37 1xkg n ASN 82 N 6.69 -3.39 -4.76 0.27 5.15 -1.26 -5.08 115.26 112.89 1xkg n ASN 82 Ca 0.15 -0.12 -0.40 0.00 -0.60 0.00 0.00 54.58 53.60 1xkg n ASN 82 Cb 0.44 -2.26 -0.04 0.00 -0.53 0.00 0.00 39.78 37.39 1xkg n ASN 82 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xkg s ALA 83 N -2.82 3.42 0.56 5.20 0.00 -1.26 -1.36 121.76 125.51 1xkg s ALA 83 Ca 0.13 0.96 -0.21 0.00 0.00 0.00 0.00 51.96 52.84 1xkg s ALA 83 Cb -0.06 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1xkg s ALA 83 CO 0.16 -0.26 1.30 0.00 0.00 0.00 0.00 175.76 176.97 1xkg s SER 85 N -1.18 6.20 -0.17 0.00 0.15 -1.26 -4.74 113.70 112.71 1xkg s SER 85 Ca 0.73 -1.11 0.01 0.00 0.70 0.00 0.00 55.95 56.28 1xkg s SER 85 Cb -0.37 -2.28 0.03 0.00 -1.71 0.00 0.00 66.02 61.69 1xkg s SER 85 CO 0.42 -0.91 -0.13 -0.63 1.20 0.00 0.00 173.24 173.19 1xkg s ILE 86 N 2.50 1.60 0.01 6.45 1.01 -1.26 -5.10 121.20 126.41 1xkg s ILE 86 Ca 0.13 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 1xkg s ILE 86 Cb -0.21 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 1xkg s ILE 86 CO 0.10 0.35 0.02 0.20 0.00 0.00 0.00 174.94 175.61 1xkg s ASN 87 N 1.45 0.14 0.00 3.58 0.01 -1.26 -5.04 114.94 113.83 1xkg s ASN 87 Ca 0.03 -0.34 0.00 0.00 -0.71 0.00 0.00 52.86 51.84 1xkg s ASN 87 Cb -0.14 0.13 0.00 0.00 0.41 0.00 0.00 41.25 41.65 1xkg s ASN 87 CO -0.10 -0.27 0.00 0.61 -1.51 0.00 0.00 177.10 175.83 1xkg n GLY 88 N 1.78 2.91 3.44 0.66 0.00 -1.26 -5.05 105.19 107.67 1xkg n GLY 88 Ca -0.22 -2.05 -0.35 0.00 0.00 0.00 0.00 46.02 43.40 1xkg n GLY 88 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xkg s ASN 89 N 0.00 4.82 0.69 1.61 0.01 -1.26 -4.88 114.94 115.94 1xkg s ASN 89 Ca 0.00 -0.21 -0.12 0.00 -0.71 0.00 0.00 52.86 51.82 1xkg s ASN 89 Cb 0.00 -1.83 0.01 0.00 0.41 0.00 0.00 41.25 39.84 1xkg s ASN 89 CO 0.00 0.05 1.07 0.00 -1.51 0.00 0.00 177.10 176.71 1xkg s ALA 90 N 1.06 2.60 1.10 0.60 0.00 -1.26 -5.02 121.76 120.84 1xkg s ALA 90 Ca 0.02 0.21 -0.16 0.00 0.00 0.00 0.00 51.96 52.02 1xkg s ALA 90 Cb -0.14 -3.21 0.24 0.00 0.00 0.00 0.00 23.12 20.00 1xkg s ALA 90 CO 0.02 -1.26 1.12 -1.25 0.00 0.00 0.00 175.76 174.39 1xkg s PRO 91 N -4.78 -0.44 0.27 0.00 0.04 -1.26 -4.95 135.00 123.88 1xkg s PRO 91 Ca 0.60 0.11 -0.03 0.00 0.04 0.00 0.00 61.00 61.73 1xkg s PRO 91 Cb -0.15 -1.67 0.36 0.00 0.04 0.00 0.00 34.50 33.07 1xkg s PRO 91 CO 0.51 -3.23 1.83 0.00 0.04 0.00 0.00 177.00 176.15 1xkg h ALA 92 N -2.24 1.19 -2.33 8.56 0.00 -1.97 -3.45 119.26 119.02 1xkg h ALA 92 Ca -0.49 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.15 1xkg h ALA 92 Cb 1.31 -0.24 -0.19 0.00 0.00 0.00 0.00 17.79 18.66 1xkg h ALA 92 CO 0.44 0.57 -0.05 -1.83 0.00 0.00 0.00 179.25 178.37 1xkg s GLU 93 N -5.32 0.88 -0.01 0.00 -1.05 -1.26 -4.67 118.70 107.26 1xkg s GLU 93 Ca -0.10 -0.06 -0.01 0.00 -0.15 0.00 0.00 54.97 54.64 1xkg s GLU 93 Cb 0.16 0.40 0.01 0.00 -0.44 0.00 0.00 34.13 34.26 1xkg s GLU 93 CO 0.81 -0.27 0.03 0.42 0.95 0.00 0.00 175.26 177.20 1xkg s ILE 94 N -1.56 -0.01 -0.22 1.83 1.01 -0.80 -4.98 121.20 116.48 1xkg s ILE 94 Ca -0.11 0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.53 1xkg s ILE 94 Cb -0.02 -0.06 0.09 0.00 0.01 0.00 0.00 42.46 42.48 1xkg s ILE 94 CO 0.05 0.01 0.18 -0.62 0.00 0.00 0.00 174.94 174.56 1xkg s ASP 95 N 0.13 1.93 0.38 3.58 -1.08 -1.26 -0.53 116.67 119.83 1xkg s ASP 95 Ca -0.01 -0.52 0.28 0.00 -0.52 0.00 0.00 52.55 51.78 1xkg s ASP 95 Cb -0.02 0.14 1.21 0.00 -1.46 0.00 0.00 42.92 42.80 1xkg s ASP 95 CO -0.00 -0.35 1.84 -0.07 0.52 0.00 0.00 175.17 177.10 1xkg h LEU 96 N 8.35 0.00 -0.41 -1.34 3.38 -1.21 -1.51 115.31 122.57 1xkg h LEU 96 Ca -0.16 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1xkg h LEU 96 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1xkg h LEU 96 CO 0.31 0.00 -0.13 0.03 0.09 0.00 0.00 178.44 178.74 1xkg h ARG 97 N 0.00 0.81 -0.50 1.13 3.08 -1.95 -1.33 114.38 115.62 1xkg h ARG 97 Ca 0.00 -0.32 -0.12 0.00 0.07 0.00 0.00 59.98 59.61 1xkg h ARG 97 Cb 0.36 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1xkg h ARG 97 CO 0.00 0.95 -0.16 0.37 -1.07 0.00 0.00 179.97 180.06 1xkg h GLN 98 N 0.62 0.97 0.00 0.04 -0.00 -1.72 -2.81 115.11 112.21 1xkg h GLN 98 Ca 0.10 -0.38 0.00 0.00 -0.00 0.00 0.00 58.65 58.37 1xkg h GLN 98 Cb 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.09 1xkg h GLN 98 CO 0.05 1.05 0.00 -1.33 0.00 0.00 0.00 178.83 178.59 1xkg n MET 99 N -4.13 0.32 -3.60 1.69 2.81 -0.65 -4.93 117.12 108.62 1xkg n MET 99 Ca 0.01 0.05 -0.23 0.00 -1.81 0.00 0.00 57.70 55.71 1xkg n MET 99 Cb 0.42 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.51 1xkg n MET 99 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1xkg n ARG 100 N -1.31 -7.35 -0.46 0.03 1.74 -0.59 -4.92 116.66 103.79 1xkg n ARG 100 Ca 0.11 0.80 0.05 0.00 -0.77 0.00 0.00 57.85 58.05 1xkg n ARG 100 Cb 0.22 -5.82 0.20 0.00 -1.02 0.00 0.00 32.46 26.04 1xkg n ARG 100 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1xkg n THR 101 N -4.78 2.24 -4.58 0.55 -2.24 -0.68 -4.86 114.28 99.93 1xkg n THR 101 Ca -0.06 -2.43 -0.26 0.00 -2.27 0.00 0.00 64.05 59.04 1xkg n THR 101 Cb 0.58 -0.27 -0.14 0.00 -2.10 0.00 0.00 70.33 68.41 1xkg n THR 101 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1xkg s VAL 102 N -3.02 1.74 0.76 2.28 -7.23 -1.25 -4.23 120.40 109.44 1xkg s VAL 102 Ca 0.39 -1.31 -0.08 0.00 -1.81 0.00 0.00 61.98 59.18 1xkg s VAL 102 Cb 0.35 -1.52 0.10 0.00 0.56 0.00 0.00 36.38 35.86 1xkg s VAL 102 CO 0.02 0.16 1.07 0.42 -0.31 0.00 0.00 175.10 176.47 1xkg s THR 103 N -0.88 2.19 0.74 5.32 -4.23 -1.26 -5.01 115.64 112.51 1xkg s THR 103 Ca 0.08 -0.26 -0.15 0.00 -1.18 0.00 0.00 61.69 60.18 1xkg s THR 103 Cb -0.09 -2.93 0.05 0.00 1.34 0.00 0.00 72.50 70.86 1xkg s THR 103 CO 0.02 0.00 1.22 -2.84 -0.54 0.00 0.00 174.62 172.48 1xkg s PRO 104 N -5.36 2.04 0.36 3.99 0.02 -1.26 -4.94 135.00 129.84 1xkg s PRO 104 Ca 0.64 1.79 -0.28 0.00 0.02 0.00 0.00 61.00 63.16 1xkg s PRO 104 Cb -0.09 -1.82 -0.11 0.00 0.02 0.00 0.00 34.50 32.50 1xkg s PRO 104 CO 0.46 -1.92 1.49 -0.89 -0.33 0.00 0.00 177.00 175.81 1xkg n ILE 105 N -2.80 1.79 -3.72 2.83 2.08 -1.26 -5.01 119.36 113.27 1xkg n ILE 105 Ca 0.14 -0.45 -0.23 0.00 0.56 0.00 0.00 62.75 62.76 1xkg n ILE 105 Cb 0.50 -1.92 -0.02 0.00 -0.75 0.00 0.00 39.64 37.45 1xkg n ILE 105 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1xkg s ARG 106 N -1.74 2.37 -0.20 0.38 1.81 -1.26 -4.87 118.95 115.42 1xkg s ARG 106 Ca 0.56 -1.78 -0.03 0.00 -1.72 0.00 0.00 55.73 52.76 1xkg s ARG 106 Cb -0.49 -2.24 0.06 0.00 -0.45 0.00 0.00 34.95 31.83 1xkg s ARG 106 CO 0.61 -0.41 0.04 1.41 -0.68 0.00 0.00 175.30 176.27 1xkg s MET 107 N -4.21 0.64 0.37 3.54 -2.45 -1.26 -1.00 119.30 114.94 1xkg s MET 107 Ca 0.42 -0.46 0.26 0.00 -1.25 0.00 0.00 55.69 54.67 1xkg s MET 107 Cb -0.02 -2.08 0.79 0.00 1.25 0.00 0.00 34.83 34.77 1xkg s MET 107 CO 0.25 -0.67 1.75 -0.56 1.05 0.00 0.00 175.02 176.84 1xkg h GLN 108 N 8.24 0.00 0.00 4.11 3.07 -1.26 -3.48 115.11 125.79 1xkg h GLN 108 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.58 1xkg h GLN 108 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.67 1xkg h GLN 108 CO 0.35 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.68 1xkg n GLY 109 N 0.76 0.36 2.22 0.06 0.00 -1.26 -3.94 105.19 103.40 1xkg n GLY 109 Ca 0.03 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 1xkg n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xkg n GLY 110 N 0.00 3.89 2.84 -0.02 0.00 -1.26 -4.74 105.19 105.90 1xkg n GLY 110 Ca 0.00 -1.44 -0.14 0.00 0.00 0.00 0.00 46.02 44.44 1xkg n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkg n GLY 112 N 3.84 4.47 0.55 0.00 0.00 0.83 -4.51 105.19 110.37 1xkg n GLY 112 Ca -0.23 -1.65 0.06 0.00 0.00 0.00 0.00 46.02 44.21 1xkg n GLY 112 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xkg n SER 113 N 4.15 3.02 -0.18 1.61 3.41 -1.25 -1.26 113.62 123.12 1xkg n SER 113 Ca 0.65 -2.45 0.10 0.00 -0.26 0.00 0.00 58.87 56.92 1xkg n SER 113 Cb 0.29 -0.32 0.41 0.00 -0.26 0.00 0.00 64.21 64.34 1xkg n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xkg h ALA 114 N 1.39 1.87 -0.81 7.33 0.00 -1.88 0.93 119.26 128.09 1xkg h ALA 114 Ca 0.00 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.10 1xkg h ALA 114 Cb 0.95 -0.13 -0.14 0.00 0.00 0.00 0.00 17.79 18.47 1xkg h ALA 114 CO 0.07 -0.03 0.07 0.11 0.00 0.00 0.00 179.25 179.47 1xkg h TRP 115 N 0.61 0.07 -0.01 0.00 5.08 -1.84 0.21 115.95 120.07 1xkg h TRP 115 Ca 0.35 0.05 -0.26 0.00 1.08 0.00 0.00 58.89 60.11 1xkg h TRP 115 Cb 0.52 0.10 0.02 0.00 -3.00 0.00 0.00 29.16 26.80 1xkg h TRP 115 CO -0.00 -0.24 -1.02 0.00 -1.28 0.00 0.00 178.44 175.90 1xkg h ALA 116 N 1.75 0.14 -0.79 0.11 0.00 -1.18 -2.83 119.26 116.45 1xkg h ALA 116 Ca 0.46 -0.69 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1xkg h ALA 116 Cb 0.86 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1xkg h ALA 116 CO -0.68 0.68 0.52 0.74 0.00 0.00 0.00 179.25 180.51 1xkg h PHE 117 N 0.40 0.98 -0.52 0.00 -1.00 -0.50 -0.57 116.94 115.72 1xkg h PHE 117 Ca -0.12 0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.56 1xkg h PHE 117 Cb 1.67 -0.33 -0.02 0.00 3.61 0.00 0.00 35.95 40.89 1xkg h PHE 117 CO 0.10 0.60 -0.13 0.66 -1.61 0.00 0.00 178.31 177.93 1xkg h SER 118 N 1.05 1.01 -0.29 2.17 4.64 -0.59 0.91 113.55 122.45 1xkg h SER 118 Ca 0.29 -0.34 -0.05 0.00 -0.47 0.00 0.00 61.79 61.22 1xkg h SER 118 Cb -0.09 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.71 1xkg h SER 118 CO -0.07 1.13 -0.02 1.23 -0.87 0.00 0.00 176.83 178.23 1xkg h GLY 119 N 0.93 0.56 1.13 -0.77 0.00 -1.32 -2.03 103.07 101.57 1xkg h GLY 119 Ca 0.13 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 1xkg h GLY 119 CO 0.05 0.39 0.33 -2.08 0.00 0.00 0.00 176.54 175.23 1xkg h VAL 120 N 0.30 1.25 -0.62 4.60 2.07 -0.99 -1.91 116.25 120.94 1xkg h VAL 120 Ca 0.08 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 1xkg h VAL 120 Cb 0.46 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1xkg h VAL 120 CO 0.02 0.31 0.29 0.00 0.02 0.00 0.00 177.57 178.21 1xkg h ALA 121 N 1.27 0.80 -0.71 1.67 0.00 -0.67 0.13 119.26 121.75 1xkg h ALA 121 Ca 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1xkg h ALA 121 Cb 0.17 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1xkg h ALA 121 CO -0.03 0.38 0.37 0.00 0.00 0.00 0.00 179.25 179.97 1xkg h ALA 122 N 1.12 0.92 -0.12 0.00 0.00 -1.23 -0.74 119.26 119.21 1xkg h ALA 122 Ca 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1xkg h ALA 122 Cb 0.13 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1xkg h ALA 122 CO -0.03 0.45 -0.02 1.15 0.00 0.00 0.00 179.25 180.81 1xkg h THR 123 N 0.99 1.28 -0.96 0.00 2.02 -0.84 -0.39 112.91 115.00 1xkg h THR 123 Ca 0.25 -0.91 0.02 0.00 0.77 0.00 0.00 66.41 66.54 1xkg h THR 123 Cb 0.08 1.64 -0.05 0.00 -1.74 0.00 0.00 68.15 68.07 1xkg h THR 123 CO -0.04 0.26 0.64 -0.33 0.37 0.00 0.00 175.52 176.42 1xkg h GLU 124 N -0.08 1.24 -0.46 6.66 5.08 -0.65 -1.34 114.58 125.04 1xkg h GLU 124 Ca 0.03 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1xkg h GLU 124 Cb 0.41 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1xkg h GLU 124 CO 0.01 0.82 0.19 1.03 -1.00 0.00 0.00 179.01 180.06 1xkg h SER 125 N 1.27 0.62 -0.88 1.42 0.87 -0.90 -1.99 113.55 113.96 1xkg h SER 125 Ca 0.36 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1xkg h SER 125 Cb -0.09 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 61.66 1xkg h SER 125 CO -0.09 0.61 0.50 0.00 -0.53 0.00 0.00 176.83 177.31 1xkg h ALA 126 N 1.04 1.22 -0.56 6.23 0.00 -0.40 0.56 119.26 127.35 1xkg h ALA 126 Ca 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1xkg h ALA 126 Cb 0.17 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1xkg h ALA 126 CO -0.01 0.64 0.21 1.88 0.00 0.00 0.00 179.25 181.96 1xkg h TYR 127 N 1.23 0.82 -0.20 0.00 -1.99 -0.98 -0.05 116.97 115.79 1xkg h TYR 127 Ca 0.31 -0.05 -0.06 0.00 2.00 0.00 0.00 58.73 60.94 1xkg h TYR 127 Cb -0.00 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 38.47 1xkg h TYR 127 CO 0.01 0.64 -0.09 -0.07 -0.00 0.00 0.00 178.16 178.65 1xkg h LEU 128 N 0.80 0.43 -0.61 3.88 3.38 -0.67 -0.58 115.31 121.95 1xkg h LEU 128 Ca 0.19 -0.41 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 1xkg h LEU 128 Cb 0.18 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1xkg h LEU 128 CO -0.01 0.74 -0.00 0.00 0.09 0.00 0.00 178.44 179.26 1xkg h ALA 129 N 0.70 0.82 0.00 1.53 0.00 -0.59 -2.01 119.26 119.71 1xkg h ALA 129 Ca 0.05 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 1xkg h ALA 129 Cb 0.58 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1xkg h ALA 129 CO 0.03 0.66 -2.14 0.66 0.00 0.00 0.00 179.25 178.46 1xkg n TYR 130 N -4.18 0.00 -0.31 0.00 4.01 -0.06 -4.60 117.16 112.02 1xkg n TYR 130 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1xkg n TYR 130 Cb 0.35 -0.70 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 1xkg n TYR 130 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1xkg n ARG 131 N -2.45 -0.26 -4.10 -0.72 1.74 -0.28 -5.00 116.66 105.58 1xkg n ARG 131 Ca -0.16 -0.48 -0.33 0.00 -0.77 0.00 0.00 57.85 56.12 1xkg n ARG 131 Cb 0.81 -0.85 -0.01 0.00 -1.02 0.00 0.00 32.46 31.39 1xkg n ARG 131 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1xkg n ASP 132 N -0.05 -2.96 -4.07 0.55 2.03 -0.76 -4.94 116.55 106.35 1xkg n ASP 132 Ca 0.00 -0.96 -0.31 0.00 0.52 0.00 0.00 54.79 54.04 1xkg n ASP 132 Cb 0.12 -3.06 -0.16 0.00 -0.72 0.00 0.00 41.12 37.30 1xkg n ASP 132 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1xkg s GLN 133 N -6.78 2.58 -0.10 -0.67 0.74 -0.86 -4.95 119.66 109.62 1xkg s GLN 133 Ca 0.56 -0.68 -0.22 0.00 0.05 0.00 0.00 55.36 55.07 1xkg s GLN 133 Cb -0.30 -2.25 -0.03 0.00 1.10 0.00 0.00 33.01 31.52 1xkg s GLN 133 CO 0.90 -0.17 0.67 -1.12 -0.55 0.00 0.00 175.29 175.02 1xkg s SER 134 N 1.27 6.90 0.05 6.67 0.01 -1.26 -3.21 113.70 124.13 1xkg s SER 134 Ca 0.02 1.08 0.04 0.00 1.31 0.00 0.00 55.95 58.40 1xkg s SER 134 Cb -0.14 -2.39 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 1xkg s SER 134 CO -0.09 -0.15 -0.11 -0.76 0.41 0.00 0.00 173.24 172.54 1xkg s LEU 135 N 1.06 2.23 -0.34 2.44 1.43 -1.26 -5.11 118.68 119.14 1xkg s LEU 135 Ca 0.35 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1xkg s LEU 135 Cb -0.17 -0.39 0.09 0.00 0.03 0.00 0.00 46.19 45.76 1xkg s LEU 135 CO 0.15 -0.09 0.05 -0.62 0.23 0.00 0.00 176.35 176.07 1xkg s ASP 136 N -1.47 4.84 0.53 2.29 -1.08 -1.26 -4.93 116.67 115.59 1xkg s ASP 136 Ca -0.04 -1.92 -0.05 0.00 -0.52 0.00 0.00 52.55 50.02 1xkg s ASP 136 Cb -0.09 -1.67 -0.01 0.00 -1.46 0.00 0.00 42.92 39.69 1xkg s ASP 136 CO 0.01 -0.37 0.83 -0.76 0.52 0.00 0.00 175.17 175.39 1xkg s LEU 137 N 1.02 3.45 -0.88 -1.34 1.43 -1.26 -0.31 118.68 120.79 1xkg s LEU 137 Ca 0.06 0.77 -0.16 0.00 -1.03 0.00 0.00 54.13 53.76 1xkg s LEU 137 Cb -0.20 -3.66 0.17 0.00 0.03 0.00 0.00 46.19 42.54 1xkg s LEU 137 CO -0.06 -0.81 0.96 0.00 0.23 0.00 0.00 176.35 176.67 1xkg s ALA 138 N -2.83 3.71 0.49 4.21 0.00 -0.29 -4.36 121.76 122.70 1xkg s ALA 138 Ca 0.50 -3.04 0.27 0.00 0.00 0.00 0.00 51.96 49.70 1xkg s ALA 138 Cb -0.10 -3.80 1.35 0.00 0.00 0.00 0.00 23.12 20.57 1xkg s ALA 138 CO 0.44 -2.65 1.85 0.93 0.00 0.00 0.00 175.76 176.33 1xkg h GLU 139 N 8.32 0.15 -0.21 0.00 3.07 -1.90 -1.23 114.58 122.78 1xkg h GLU 139 Ca 0.14 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.95 1xkg h GLU 139 Cb 1.03 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.90 1xkg h GLU 139 CO 0.94 0.10 -0.03 0.37 -1.40 0.00 0.00 179.01 178.99 1xkg h GLN 140 N 0.15 0.31 -0.57 2.33 5.75 -1.88 -0.92 115.11 120.28 1xkg h GLN 140 Ca 0.49 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.91 1xkg h GLN 140 Cb 1.66 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 30.14 1xkg h GLN 140 CO -0.09 0.36 0.26 1.49 -2.65 0.00 0.00 178.83 178.20 1xkg h GLU 141 N 0.31 0.84 -0.18 1.69 4.81 -1.47 -0.69 114.58 119.88 1xkg h GLU 141 Ca 0.07 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1xkg h GLU 141 Cb 0.25 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1xkg h GLU 141 CO 0.01 0.70 0.09 -0.07 -0.73 0.00 0.00 179.01 179.01 1xkg h LEU 142 N 0.78 0.22 -0.72 1.64 4.07 -1.44 0.13 115.31 120.00 1xkg h LEU 142 Ca 0.19 -0.10 0.11 0.00 0.08 0.00 0.00 57.88 58.17 1xkg h LEU 142 Cb 0.15 -0.06 -0.08 0.00 1.08 0.00 0.00 40.66 41.75 1xkg h LEU 142 CO -0.02 0.26 0.33 0.58 -1.08 0.00 0.00 178.44 178.51 1xkg h VAL 143 N 0.17 0.77 0.07 1.22 2.07 -0.71 -0.35 116.25 119.49 1xkg h VAL 143 Ca 0.06 -0.18 -0.32 0.00 0.82 0.00 0.00 66.70 67.08 1xkg h VAL 143 Cb 0.09 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 1xkg h VAL 143 CO -0.01 0.10 -1.76 0.44 0.02 0.00 0.00 177.57 176.36 1xkg h ASP 144 N 0.53 0.23 0.00 0.57 3.32 -1.08 -3.31 116.42 116.68 1xkg h ASP 144 Ca 0.37 -0.45 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 1xkg h ASP 144 Cb 0.47 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1xkg h ASP 144 CO -0.32 1.40 -1.65 0.00 -1.72 0.00 0.00 179.24 176.95 1xkg n ALA 146 N -2.09 3.00 -2.59 0.00 0.00 -0.15 -4.97 120.51 113.70 1xkg n ALA 146 Ca -0.07 -0.49 -0.22 0.00 0.00 0.00 0.00 53.44 52.66 1xkg n ALA 146 Cb 0.50 -0.80 -0.14 0.00 0.00 0.00 0.00 19.45 19.01 1xkg n ALA 146 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xkg s SER 147 N -4.43 1.93 0.00 0.00 0.15 -1.16 -4.87 113.70 105.33 1xkg s SER 147 Ca -0.05 -0.48 0.30 0.00 0.70 0.00 0.00 55.95 56.42 1xkg s SER 147 Cb 0.14 -0.14 1.55 0.00 -1.71 0.00 0.00 66.02 65.86 1xkg s SER 147 CO 0.89 0.07 2.03 0.00 1.20 0.00 0.00 173.24 177.43 1xkg n GLN 148 N 1.87 1.08 -2.71 5.44 6.02 -1.26 -4.38 117.38 123.44 1xkg n GLN 148 Ca -0.18 -0.29 -0.07 0.00 -0.01 0.00 0.00 57.00 56.45 1xkg n GLN 148 Cb 0.54 -1.49 0.10 0.00 1.02 0.00 0.00 30.24 30.40 1xkg n GLN 148 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1xkg n HIS 149 N -0.71 -2.34 0.29 1.08 1.44 -1.26 -5.03 115.22 108.69 1xkg n HIS 149 Ca 0.20 -1.83 0.16 0.00 -2.01 0.00 0.00 57.72 54.24 1xkg n HIS 149 Cb 0.21 1.56 0.88 0.00 0.12 0.00 0.00 29.99 32.76 1xkg n HIS 149 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 1xkg h GLY 150 N 2.39 0.00 -1.59 -1.39 0.00 -1.76 -0.42 103.07 100.30 1xkg h GLY 150 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1xkg h GLY 150 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 1xkg n HIS 152 N 1.00 1.12 0.00 0.00 -0.00 -0.17 -0.12 115.22 117.05 1xkg n HIS 152 Ca 0.17 -0.98 0.00 0.00 -0.00 0.00 0.00 57.72 56.91 1xkg n HIS 152 Cb 0.51 -0.37 0.00 0.00 -0.00 0.00 0.00 29.99 30.13 1xkg n HIS 152 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xkg n GLY 153 N -0.51 -1.18 1.52 -1.41 0.00 -0.39 -4.84 105.19 98.37 1xkg n GLY 153 Ca 0.24 -1.43 -0.03 0.00 0.00 0.00 0.00 46.02 44.80 1xkg n GLY 153 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xkg n ASP 154 N -0.99 -0.90 -4.86 1.61 -0.08 -1.26 -4.72 116.55 105.33 1xkg n ASP 154 Ca 0.00 -1.61 -0.32 0.00 -1.51 0.00 0.00 54.79 51.35 1xkg n ASP 154 Cb 0.00 1.50 -0.05 0.00 2.34 0.00 0.00 41.12 44.91 1xkg n ASP 154 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1xkg s THR 155 N -2.61 4.77 0.12 5.18 -4.23 -1.26 -4.70 115.64 112.91 1xkg s THR 155 Ca 0.07 0.73 -0.20 0.00 -1.18 0.00 0.00 61.69 61.11 1xkg s THR 155 Cb -0.02 -3.64 -0.08 0.00 1.34 0.00 0.00 72.50 70.10 1xkg s THR 155 CO 0.05 -0.24 1.77 0.40 -0.54 0.00 0.00 174.62 176.05 1xkg h ILE 156 N 1.75 1.03 -0.64 2.99 2.04 -1.98 -2.73 117.51 119.97 1xkg h ILE 156 Ca -0.47 -0.07 0.11 0.00 1.00 0.00 0.00 64.86 65.42 1xkg h ILE 156 Cb 1.18 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 1xkg h ILE 156 CO 0.66 0.04 0.43 -0.65 0.00 0.00 0.00 178.15 178.63 1xkg h PRO 157 N 0.22 0.39 -0.56 2.37 0.11 -1.93 -1.82 132.00 130.77 1xkg h PRO 157 Ca 0.06 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.18 1xkg h PRO 157 Cb -0.02 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 30.97 1xkg h PRO 157 CO -0.02 0.26 0.33 -0.09 -0.21 0.00 0.00 178.00 178.26 1xkg h ARG 158 N 0.40 0.63 -0.31 1.05 2.43 -1.88 0.23 114.38 116.93 1xkg h ARG 158 Ca 0.30 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.36 1xkg h ARG 158 Cb 0.64 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1xkg h ARG 158 CO -0.08 0.42 -0.08 0.78 -1.51 0.00 0.00 179.97 179.49 1xkg h GLY 159 N 0.65 0.65 1.44 2.80 0.00 -1.36 -2.76 103.07 104.49 1xkg h GLY 159 Ca 0.23 -0.54 -0.13 0.00 0.00 0.00 0.00 47.33 46.89 1xkg h GLY 159 CO -0.11 0.50 -0.36 -2.22 0.00 0.00 0.00 176.54 174.34 1xkg h ILE 160 N 0.37 1.29 -0.98 2.60 2.04 -1.04 -1.54 117.51 120.26 1xkg h ILE 160 Ca 0.08 -1.51 0.01 0.00 1.00 0.00 0.00 64.86 64.44 1xkg h ILE 160 Cb 0.57 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 38.07 1xkg h ILE 160 CO 0.03 0.48 0.65 -0.33 0.00 0.00 0.00 178.15 178.98 1xkg h GLU 161 N 0.53 1.28 -0.52 2.37 4.39 -0.59 -0.45 114.58 121.59 1xkg h GLU 161 Ca 0.05 -0.08 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 1xkg h GLU 161 Cb 0.86 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1xkg h GLU 161 CO 0.07 0.85 0.02 -0.92 -1.16 0.00 0.00 179.01 177.87 1xkg h TYR 162 N 1.32 0.99 -0.62 4.33 3.20 -1.11 -0.22 116.97 124.87 1xkg h TYR 162 Ca 0.36 -0.16 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 1xkg h TYR 162 Cb -0.14 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 37.84 1xkg h TYR 162 CO -0.00 0.91 0.27 0.82 -1.64 0.00 0.00 178.16 178.51 1xkg h ILE 163 N 0.79 1.22 -0.17 1.81 2.04 -0.84 0.14 117.51 122.49 1xkg h ILE 163 Ca 0.15 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1xkg h ILE 163 Cb 0.50 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1xkg h ILE 163 CO 0.02 0.27 0.08 -0.61 0.00 0.00 0.00 178.15 177.91 1xkg h GLN 164 N 0.85 0.24 0.15 2.37 4.15 -0.74 -0.86 115.11 121.28 1xkg h GLN 164 Ca 0.21 -0.04 -0.32 0.00 0.77 0.00 0.00 58.65 59.27 1xkg h GLN 164 Cb 0.17 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1xkg h GLN 164 CO -0.02 0.29 -1.58 0.45 -1.93 0.00 0.00 178.83 176.04 1xkg h HIS 165 N 0.14 0.59 0.00 3.99 3.86 -0.86 -3.41 115.15 119.47 1xkg h HIS 165 Ca 0.06 -0.43 -0.09 0.00 -1.16 0.00 0.00 60.37 58.74 1xkg h HIS 165 Cb 0.13 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 1xkg h HIS 165 CO -0.02 1.49 -1.59 0.09 0.86 0.00 0.00 177.93 178.75 1xkg n ASN 166 N -3.52 2.53 -0.58 2.45 3.02 0.44 -5.09 115.26 114.51 1xkg n ASN 166 Ca -0.19 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.44 1xkg n ASN 166 Cb 1.06 1.12 -0.03 0.00 -0.61 0.00 0.00 39.78 41.32 1xkg n ASN 166 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xkg n GLY 167 N 2.14 -2.25 3.07 7.41 0.00 -0.33 -4.87 105.19 110.36 1xkg n GLY 167 Ca -0.09 -1.34 -0.19 0.00 0.00 0.00 0.00 46.02 44.40 1xkg n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xkg s VAL 168 N -2.54 0.84 0.85 1.61 0.11 -0.27 -4.72 120.40 116.29 1xkg s VAL 168 Ca 0.00 -0.66 -0.12 0.00 -2.93 0.00 0.00 61.98 58.27 1xkg s VAL 168 Cb 0.00 -0.74 0.10 0.00 -1.53 0.00 0.00 36.38 34.21 1xkg s VAL 168 CO 0.00 0.09 1.14 0.68 -3.33 0.00 0.00 175.10 173.68 1xkg s VAL 169 N -0.53 2.22 0.59 2.04 -7.23 -1.26 -0.84 120.40 115.39 1xkg s VAL 169 Ca 0.02 0.07 -0.15 0.00 -1.81 0.00 0.00 61.98 60.11 1xkg s VAL 169 Cb -0.06 -2.92 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 1xkg s VAL 169 CO 0.00 -0.09 1.03 -1.10 -0.31 0.00 0.00 175.10 174.63 1xkg s GLN 170 N -5.37 3.45 0.25 4.82 -0.21 -1.26 -1.13 119.66 120.20 1xkg s GLN 170 Ca 0.62 1.04 -0.04 0.00 0.02 0.00 0.00 55.36 57.00 1xkg s GLN 170 Cb -0.13 -2.06 0.49 0.00 1.00 0.00 0.00 33.01 32.31 1xkg s GLN 170 CO 0.52 -0.69 1.69 1.49 -2.12 0.00 0.00 175.29 176.18 1xkg h GLU 171 N 0.27 0.28 0.00 2.91 4.57 -0.86 -1.58 114.58 120.17 1xkg h GLU 171 Ca -0.46 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1xkg h GLU 171 Cb 1.20 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1xkg h GLU 171 CO 0.59 0.19 -0.02 0.66 -1.18 0.00 0.00 179.01 179.24 1xkg h SER 172 N 0.29 0.00 0.65 1.04 4.64 -1.93 -0.84 113.55 117.40 1xkg h SER 172 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1xkg h SER 172 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1xkg h SER 172 CO -0.51 0.02 -0.45 -1.22 -0.87 0.00 0.00 176.83 173.81 1xkg n TYR 173 N -3.68 0.11 -2.75 4.77 4.01 -0.60 -4.63 117.16 114.39 1xkg n TYR 173 Ca -0.03 0.03 -0.06 0.00 -0.16 0.00 0.00 57.90 57.69 1xkg n TYR 173 Cb 0.11 -0.37 0.03 0.00 -0.31 0.00 0.00 39.34 38.80 1xkg n TYR 173 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1xkg n TYR 174 N -1.62 -3.39 -2.13 -0.72 -0.00 -0.35 -4.83 117.16 104.13 1xkg n TYR 174 Ca 0.05 -1.48 -0.38 0.00 -0.00 0.00 0.00 57.90 56.10 1xkg n TYR 174 Cb 0.36 1.49 0.00 0.00 -0.00 0.00 0.00 39.34 41.19 1xkg n TYR 174 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.86 175.88 1xkg s ARG 175 N 0.77 3.67 0.04 2.98 1.70 -1.05 -4.48 118.95 122.58 1xkg s ARG 175 Ca 0.30 1.93 -0.30 0.00 -0.47 0.00 0.00 55.73 57.19 1xkg s ARG 175 Cb 0.11 -2.44 -0.05 0.00 -0.57 0.00 0.00 34.95 32.01 1xkg s ARG 175 CO -0.14 -0.67 1.11 -0.47 -1.08 0.00 0.00 175.30 174.05 1xkg s TYR 176 N -1.45 3.53 0.00 5.89 5.04 -1.26 -4.81 117.35 124.29 1xkg s TYR 176 Ca 0.64 1.47 0.00 0.00 -2.44 0.00 0.00 57.07 56.74 1xkg s TYR 176 Cb -0.32 -3.29 0.00 0.00 0.35 0.00 0.00 41.96 38.69 1xkg s TYR 176 CO 0.40 -0.75 0.54 1.33 -1.34 0.00 0.00 175.55 175.73 1xkg n VAL 177 N 3.85 0.24 -3.55 3.14 0.24 -1.26 -5.03 118.33 115.96 1xkg n VAL 177 Ca 0.08 -0.51 -0.26 0.00 -2.04 0.00 0.00 64.34 61.61 1xkg n VAL 177 Cb 0.48 1.03 0.05 0.00 -1.47 0.00 0.00 33.84 33.93 1xkg n VAL 177 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xkg n ALA 178 N -0.12 -1.20 -3.14 2.33 0.00 -1.26 -4.97 120.51 112.15 1xkg n ALA 178 Ca 0.00 0.29 -0.11 0.00 0.00 0.00 0.00 53.44 53.62 1xkg n ALA 178 Cb 0.13 -4.62 -0.04 0.00 0.00 0.00 0.00 19.45 14.92 1xkg n ALA 178 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1xkg s ARG 179 N -6.26 1.11 0.13 0.00 1.70 -1.26 -4.50 118.95 109.87 1xkg s ARG 179 Ca 0.54 -0.58 -0.30 0.00 -0.47 0.00 0.00 55.73 54.91 1xkg s ARG 179 Cb -0.25 0.49 -0.07 0.00 -0.57 0.00 0.00 34.95 34.56 1xkg s ARG 179 CO 0.66 -0.44 1.11 -1.21 -1.08 0.00 0.00 175.30 174.34 1xkg s GLU 180 N -3.58 4.56 0.26 3.89 2.02 -1.26 -4.95 118.70 119.64 1xkg s GLU 180 Ca 0.01 1.70 0.04 0.00 0.02 0.00 0.00 54.97 56.74 1xkg s GLU 180 Cb 0.01 -3.31 -0.05 0.00 0.10 0.00 0.00 34.13 30.87 1xkg s GLU 180 CO -0.11 -0.01 -0.00 -0.65 0.02 0.00 0.00 175.26 174.51 1xkg s GLN 181 N 0.09 1.43 0.45 1.61 -0.21 -1.26 -5.11 119.66 116.66 1xkg s GLN 181 Ca 0.52 -1.74 -0.25 0.00 0.02 0.00 0.00 55.36 53.91 1xkg s GLN 181 Cb -0.29 -0.74 -0.09 0.00 1.00 0.00 0.00 33.01 32.90 1xkg s GLN 181 CO 0.33 -0.09 1.43 0.45 -2.12 0.00 0.00 175.29 175.29 1xkg n SER 182 N -0.49 3.34 -4.64 5.90 2.88 -1.26 -4.66 113.62 114.69 1xkg n SER 182 Ca -0.04 1.13 -0.43 0.00 -1.33 0.00 0.00 58.87 58.20 1xkg n SER 182 Cb 0.64 -1.60 -0.03 0.00 -0.75 0.00 0.00 64.21 62.47 1xkg n SER 182 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xkg s ARG 184 N 4.71 3.66 -0.45 0.00 0.52 -1.26 -5.04 118.95 121.09 1xkg s ARG 184 Ca 0.79 0.22 0.08 0.00 -0.52 0.00 0.00 55.73 56.29 1xkg s ARG 184 Cb -0.31 -2.48 0.26 0.00 0.52 0.00 0.00 34.95 32.94 1xkg s ARG 184 CO 0.32 0.01 0.61 0.54 0.02 0.00 0.00 175.30 176.80 1xkg n ARG 185 N -1.43 1.24 -1.94 3.54 1.74 -1.26 -5.01 116.66 113.54 1xkg n ARG 185 Ca 0.00 -3.63 -0.36 0.00 -0.77 0.00 0.00 57.85 53.09 1xkg n ARG 185 Cb 0.54 -1.53 0.04 0.00 -1.02 0.00 0.00 32.46 30.49 1xkg n ARG 185 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1xkg s PRO 186 N -1.67 2.87 -0.67 5.56 0.04 -1.26 -4.94 135.00 134.93 1xkg s PRO 186 Ca 0.37 1.86 -0.24 0.00 0.04 0.00 0.00 61.00 63.04 1xkg s PRO 186 Cb 0.18 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.87 1xkg s PRO 186 CO -0.08 -1.30 1.04 1.21 0.04 0.00 0.00 177.00 177.91 1xkg s ASN 187 N -1.58 6.19 0.16 6.66 3.04 -1.26 -4.95 114.94 123.20 1xkg s ASN 187 Ca 0.78 -0.79 -0.22 0.00 0.04 0.00 0.00 52.86 52.67 1xkg s ASN 187 Cb -0.32 -2.46 0.07 0.00 -1.54 0.00 0.00 41.25 37.00 1xkg s ASN 187 CO 0.35 -1.52 0.59 0.00 -3.04 0.00 0.00 177.10 173.47 1xkg s ALA 188 N 4.49 -1.54 0.29 1.71 0.00 -1.26 -5.14 121.76 120.31 1xkg s ALA 188 Ca 0.26 0.42 -0.29 0.00 0.00 0.00 0.00 51.96 52.35 1xkg s ALA 188 Cb -0.14 0.88 -0.11 0.00 0.00 0.00 0.00 23.12 23.75 1xkg s ALA 188 CO 0.12 -0.77 1.48 -1.14 0.00 0.00 0.00 175.76 175.45 1xkg s GLN 189 N -3.76 4.20 -0.09 0.00 0.74 -1.26 -4.94 119.66 114.55 1xkg s GLN 189 Ca 0.02 2.43 -0.02 0.00 0.05 0.00 0.00 55.36 57.84 1xkg s GLN 189 Cb -0.01 -3.05 -0.03 0.00 1.10 0.00 0.00 33.01 31.02 1xkg s GLN 189 CO -0.12 -0.48 -0.01 1.03 -0.55 0.00 0.00 175.29 175.16 1xkg s ARG 190 N -0.88 3.02 -0.16 1.67 0.52 -1.26 -4.23 118.95 117.63 1xkg s ARG 190 Ca 0.58 -0.42 -0.02 0.00 -0.52 0.00 0.00 55.73 55.35 1xkg s ARG 190 Cb -0.44 -2.79 -0.01 0.00 0.52 0.00 0.00 34.95 32.22 1xkg s ARG 190 CO 0.49 0.67 -0.09 -0.06 0.02 0.00 0.00 175.30 176.32 1xkg s PHE 191 N -0.78 2.88 0.00 -0.53 0.08 -0.02 -4.78 117.98 114.83 1xkg s PHE 191 Ca 0.12 -0.72 0.00 0.00 0.12 0.00 0.00 56.93 56.45 1xkg s PHE 191 Cb -0.11 -1.94 0.00 0.00 -0.57 0.00 0.00 43.02 40.40 1xkg s PHE 191 CO 0.02 -0.31 0.00 0.41 -0.10 0.00 0.00 175.22 175.24 1xkg n GLY 192 N 3.93 5.56 3.15 4.36 0.00 -1.26 -1.11 105.19 119.83 1xkg n GLY 192 Ca -0.18 -1.96 -0.11 0.00 0.00 0.00 0.00 46.02 43.77 1xkg n GLY 192 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xkg s ILE 193 N -0.47 0.65 -0.01 -0.61 -4.36 -1.25 -4.94 121.20 110.22 1xkg s ILE 193 Ca 0.00 -1.84 -0.21 0.00 -0.26 0.00 0.00 60.65 58.34 1xkg s ILE 193 Cb 0.00 -1.56 -0.23 0.00 1.25 0.00 0.00 42.46 41.92 1xkg s ILE 193 CO 0.00 -0.83 1.10 0.28 0.24 0.00 0.00 174.94 175.73 1xkg h SER 194 N 3.14 0.44 -2.79 4.36 0.02 -0.85 -3.41 113.55 114.46 1xkg h SER 194 Ca -0.35 -0.75 0.04 0.00 -0.84 0.00 0.00 61.79 59.89 1xkg h SER 194 Cb 1.17 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.57 1xkg h SER 194 CO 0.62 1.13 0.38 -3.20 -1.14 0.00 0.00 176.83 174.62 1xkg n ASN 195 N -4.31 -2.07 -3.93 3.07 4.05 -0.76 -5.03 115.26 106.28 1xkg n ASN 195 Ca -0.10 -2.33 -0.09 0.00 0.45 0.00 0.00 54.58 52.51 1xkg n ASN 195 Cb 0.61 3.42 -0.06 0.00 1.23 0.00 0.00 39.78 44.98 1xkg n ASN 195 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 1xkg s TYR 196 N -2.27 0.29 0.12 1.20 -0.85 -1.26 -0.80 117.35 113.78 1xkg s TYR 196 Ca 0.18 -0.65 -0.09 0.00 -0.52 0.00 0.00 57.07 56.00 1xkg s TYR 196 Cb -0.04 0.12 -0.00 0.00 0.38 0.00 0.00 41.96 42.41 1xkg s TYR 196 CO 0.09 -0.86 0.22 0.00 -1.52 0.00 0.00 175.55 173.49 1xkg s GLN 198 N -3.90 3.66 -0.34 0.00 0.74 -0.46 -1.17 119.66 118.17 1xkg s GLN 198 Ca 0.10 -0.37 -0.29 0.00 0.05 0.00 0.00 55.36 54.85 1xkg s GLN 198 Cb 0.04 -3.07 0.01 0.00 1.10 0.00 0.00 33.01 31.09 1xkg s GLN 198 CO -0.07 0.41 1.31 0.42 -0.55 0.00 0.00 175.29 176.81 1xkg s ILE 199 N -0.03 4.10 -0.25 -2.34 1.01 0.18 -0.81 121.20 123.06 1xkg s ILE 199 Ca 0.05 1.21 -0.20 0.00 0.00 0.00 0.00 60.65 61.71 1xkg s ILE 199 Cb -0.12 -4.22 0.07 0.00 0.01 0.00 0.00 42.46 38.19 1xkg s ILE 199 CO 0.01 -0.59 0.64 -0.47 0.00 0.00 0.00 174.94 174.53 1xkg s TYR 200 N 4.62 -0.79 0.30 3.97 5.04 -1.26 -3.66 117.35 125.56 1xkg s TYR 200 Ca 0.56 1.81 -0.29 0.00 -2.44 0.00 0.00 57.07 56.70 1xkg s TYR 200 Cb -0.15 0.34 -0.10 0.00 0.35 0.00 0.00 41.96 42.39 1xkg s TYR 200 CO 0.26 -0.39 1.45 -2.14 -1.34 0.00 0.00 175.55 173.39 1xkg s PRO 201 N 0.72 4.23 0.24 4.97 0.02 -1.26 -4.71 135.00 139.22 1xkg s PRO 201 Ca -0.03 2.38 -0.25 0.00 0.02 0.00 0.00 61.00 63.12 1xkg s PRO 201 Cb -0.05 -3.06 -0.09 0.00 0.02 0.00 0.00 34.50 31.32 1xkg s PRO 201 CO -0.05 -0.43 0.85 -1.25 -0.33 0.00 0.00 177.00 175.79 1xkg s PRO 202 N -1.00 4.55 0.22 5.54 0.04 -1.24 -5.00 135.00 138.11 1xkg s PRO 202 Ca 0.57 1.20 -0.13 0.00 0.04 0.00 0.00 61.00 62.68 1xkg s PRO 202 Cb -0.43 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1xkg s PRO 202 CO 0.50 0.42 0.44 0.54 0.04 0.00 0.00 177.00 178.94 1xkg s ASN 203 N -1.43 -0.10 0.25 6.66 2.20 -1.26 -4.96 114.94 116.30 1xkg s ASN 203 Ca 0.43 -0.83 -0.06 0.00 -0.94 0.00 0.00 52.86 51.47 1xkg s ASN 203 Cb -0.21 0.55 0.26 0.00 -2.00 0.00 0.00 41.25 39.86 1xkg s ASN 203 CO 0.25 -1.06 1.89 0.00 -2.94 0.00 0.00 177.10 175.23 1xkg h ALA 204 N 2.31 1.23 -0.86 3.54 0.00 -1.93 -2.24 119.26 121.30 1xkg h ALA 204 Ca -0.28 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1xkg h ALA 204 Cb 1.25 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1xkg h ALA 204 CO 0.39 0.65 0.49 -0.91 0.00 0.00 0.00 179.25 179.87 1xkg h ASN 205 N 1.25 1.06 -0.64 0.00 2.35 -1.99 -0.35 115.58 117.25 1xkg h ASN 205 Ca 0.32 -0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.91 1xkg h ASN 205 Cb -0.02 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.05 1xkg h ASN 205 CO -0.06 0.84 0.11 0.11 -1.65 0.00 0.00 177.43 176.78 1xkg h LYS 206 N 1.20 1.07 -0.44 0.81 1.57 -1.86 -0.66 116.57 118.26 1xkg h LYS 206 Ca 0.31 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1xkg h LYS 206 Cb -0.00 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1xkg h LYS 206 CO -0.05 0.98 0.16 0.82 -0.57 0.00 0.00 179.45 180.79 1xkg h ILE 207 N 1.01 1.21 -0.37 1.86 2.04 -0.93 -0.66 117.51 121.67 1xkg h ILE 207 Ca 0.20 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.45 1xkg h ILE 207 Cb 0.43 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1xkg h ILE 207 CO 0.01 0.24 0.13 0.03 0.00 0.00 0.00 178.15 178.56 1xkg h ARG 208 N 0.56 0.28 -0.36 2.37 3.08 -0.79 -1.59 114.38 117.93 1xkg h ARG 208 Ca 0.14 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 1xkg h ARG 208 Cb 0.21 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1xkg h ARG 208 CO -0.01 0.18 -0.12 1.49 -1.07 0.00 0.00 179.97 180.44 1xkg h GLU 209 N 0.29 0.64 -0.71 0.04 4.57 -0.94 -0.23 114.58 118.23 1xkg h GLU 209 Ca 0.17 -0.20 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 1xkg h GLU 209 Cb 0.14 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 1xkg h GLU 209 CO -0.17 0.74 0.29 0.00 -1.18 0.00 0.00 179.01 178.69 1xkg h ALA 210 N 1.29 0.92 -0.60 2.92 0.00 -0.78 -0.32 119.26 122.68 1xkg h ALA 210 Ca 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1xkg h ALA 210 Cb 0.55 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1xkg h ALA 210 CO 0.03 0.53 0.24 -0.07 0.00 0.00 0.00 179.25 179.99 1xkg h LEU 211 N 1.00 0.83 -0.85 0.00 3.38 -0.81 -1.77 115.31 117.10 1xkg h LEU 211 Ca 0.24 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1xkg h LEU 211 Cb 0.20 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1xkg h LEU 211 CO -0.02 0.77 0.56 0.00 0.09 0.00 0.00 178.44 179.84 1xkg h ALA 212 N 1.09 1.08 -0.02 1.53 0.00 -0.47 0.13 119.26 122.60 1xkg h ALA 212 Ca 0.20 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 1xkg h ALA 212 Cb 0.20 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1xkg h ALA 212 CO -0.02 0.49 -0.88 1.96 0.00 0.00 0.00 179.25 180.80 1xkg h GLN 213 N 1.15 0.37 0.00 0.00 4.20 -0.82 -3.37 115.11 116.64 1xkg h GLN 213 Ca 0.31 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1xkg h GLN 213 Cb -0.13 0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1xkg h GLN 213 CO -0.07 1.04 -1.36 0.25 -0.67 0.00 0.00 178.83 178.02 1xkg n THR 214 N -3.75 0.00 -2.67 -0.54 -2.24 -0.69 -5.00 114.28 99.39 1xkg n THR 214 Ca -0.06 -0.21 -0.14 0.00 -2.27 0.00 0.00 64.05 61.37 1xkg n THR 214 Cb 0.80 0.33 -0.00 0.00 -2.10 0.00 0.00 70.33 69.35 1xkg n THR 214 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1xkg n HIS 215 N -1.78 -1.56 -5.16 4.78 8.25 0.43 -4.87 115.22 115.31 1xkg n HIS 215 Ca -0.01 0.12 -0.30 0.00 -0.26 0.00 0.00 57.72 57.27 1xkg n HIS 215 Cb 0.23 -2.73 -0.16 0.00 1.12 0.00 0.00 29.99 28.45 1xkg n HIS 215 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1xkg s SER 216 N -2.20 2.81 0.30 0.41 0.01 -1.26 -4.69 113.70 109.07 1xkg s SER 216 Ca 0.10 -0.46 -0.29 0.00 1.31 0.00 0.00 55.95 56.61 1xkg s SER 216 Cb -0.05 -0.62 -0.13 0.00 0.21 0.00 0.00 66.02 65.43 1xkg s SER 216 CO 0.12 0.24 1.28 0.00 0.41 0.00 0.00 173.24 175.30 1xkg n ALA 217 N 2.83 0.98 -2.97 1.44 0.00 -1.26 -4.80 120.51 116.74 1xkg n ALA 217 Ca -0.17 0.38 -0.35 0.00 0.00 0.00 0.00 53.44 53.30 1xkg n ALA 217 Cb 0.52 -2.22 -0.12 0.00 0.00 0.00 0.00 19.45 17.63 1xkg n ALA 217 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xkg s ILE 218 N -0.77 4.34 0.05 0.00 1.01 -0.51 -4.42 121.20 120.90 1xkg s ILE 218 Ca 0.60 -0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.77 1xkg s ILE 218 Cb -0.62 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1xkg s ILE 218 CO 0.58 0.41 0.96 0.00 0.00 0.00 0.00 174.94 176.89 1xkg s ALA 219 N 0.95 3.20 0.08 9.38 0.00 -0.55 -0.61 121.76 134.23 1xkg s ALA 219 Ca 0.03 0.54 -0.02 0.00 0.00 0.00 0.00 51.96 52.51 1xkg s ALA 219 Cb -0.14 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1xkg s ALA 219 CO 0.02 -0.14 0.02 0.14 0.00 0.00 0.00 175.76 175.81 1xkg s VAL 220 N 0.56 0.17 -0.09 0.00 -7.23 -0.34 -0.20 120.40 113.26 1xkg s VAL 220 Ca 0.49 -1.79 -0.03 0.00 -1.81 0.00 0.00 61.98 58.84 1xkg s VAL 220 Cb -0.22 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.99 1xkg s VAL 220 CO 0.28 -0.77 0.02 -0.63 -0.31 0.00 0.00 175.10 173.70 1xkg s ILE 221 N -3.96 4.49 0.09 -0.62 -1.09 -1.24 -1.14 121.20 117.72 1xkg s ILE 221 Ca 0.13 -0.18 0.08 0.00 -2.23 0.00 0.00 60.65 58.45 1xkg s ILE 221 Cb 0.07 -2.90 -0.03 0.00 -1.58 0.00 0.00 42.46 38.02 1xkg s ILE 221 CO -0.06 0.60 -0.20 0.27 -1.23 0.00 0.00 174.94 174.33 1xkg s ILE 222 N -0.84 1.60 -0.28 2.92 -4.36 -0.33 -3.80 121.20 116.10 1xkg s ILE 222 Ca 0.13 -1.45 -0.02 0.00 -0.26 0.00 0.00 60.65 59.05 1xkg s ILE 222 Cb -0.11 -1.45 0.04 0.00 1.25 0.00 0.00 42.46 42.18 1xkg s ILE 222 CO 0.02 -0.05 -0.02 -0.83 0.24 0.00 0.00 174.94 174.30 1xkg s GLY 223 N -1.78 1.71 -0.27 6.27 0.00 0.15 -1.12 107.32 112.28 1xkg s GLY 223 Ca 0.05 -1.66 -0.13 0.00 0.00 0.00 0.00 44.72 42.98 1xkg s GLY 223 CO 0.04 0.64 0.27 -0.42 0.00 0.00 0.00 173.10 173.62 1xkg s ILE 224 N 1.28 5.26 -0.16 0.90 1.01 0.39 -4.58 121.20 125.29 1xkg s ILE 224 Ca -0.04 0.35 0.18 0.00 0.00 0.00 0.00 60.65 61.14 1xkg s ILE 224 Cb -0.19 -3.60 -0.26 0.00 0.01 0.00 0.00 42.46 38.43 1xkg s ILE 224 CO -0.02 0.22 0.20 0.29 0.00 0.00 0.00 174.94 175.63 1xkg n LYS 225 N 5.11 0.68 -3.54 2.79 5.02 -1.26 -0.99 118.16 125.97 1xkg n LYS 225 Ca -0.12 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.77 1xkg n LYS 225 Cb 0.51 -1.55 -0.05 0.00 -0.02 0.00 0.00 35.03 33.92 1xkg n LYS 225 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1xkg s ASP 226 N -5.43 6.20 0.19 4.39 -1.08 -1.01 -4.70 116.67 115.23 1xkg s ASP 226 Ca -0.09 -3.22 -0.10 0.00 -0.52 0.00 0.00 52.55 48.61 1xkg s ASP 226 Cb 0.07 -2.02 0.10 0.00 -1.46 0.00 0.00 42.92 39.62 1xkg s ASP 226 CO 0.84 -0.34 1.74 -0.07 0.52 0.00 0.00 175.17 177.85 1xkg h LEU 227 N 6.82 0.94 -0.49 -1.34 3.38 -1.89 -2.31 115.31 120.42 1xkg h LEU 227 Ca 0.10 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 1xkg h LEU 227 Cb 0.92 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1xkg h LEU 227 CO 0.82 0.87 -0.33 -0.78 0.09 0.00 0.00 178.44 179.10 1xkg h ASP 228 N 0.95 0.93 -0.68 -0.43 1.82 -1.99 0.23 116.42 117.25 1xkg h ASP 228 Ca 0.22 -0.40 0.04 0.00 -0.39 0.00 0.00 57.03 56.50 1xkg h ASP 228 Cb 0.23 -0.26 -0.05 0.00 0.68 0.00 0.00 39.33 39.94 1xkg h ASP 228 CO -0.01 1.17 0.41 0.00 -1.61 0.00 0.00 179.24 179.20 1xkg h ALA 229 N 0.88 0.90 -0.18 -0.78 0.00 -1.94 -1.69 119.26 116.45 1xkg h ALA 229 Ca 0.07 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1xkg h ALA 229 Cb 0.90 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1xkg h ALA 229 CO 0.08 0.16 -0.47 0.35 0.00 0.00 0.00 179.25 179.36 1xkg h PHE 230 N 0.80 0.83 -0.79 0.00 3.57 -1.01 -1.93 116.94 118.40 1xkg h PHE 230 Ca 0.28 -0.32 0.06 0.00 3.53 0.00 0.00 57.97 61.52 1xkg h PHE 230 Cb 0.07 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.61 1xkg h PHE 230 CO -0.05 1.10 0.48 -0.09 -2.23 0.00 0.00 178.31 177.52 1xkg h ARG 231 N 0.32 0.87 -0.30 1.11 2.43 -0.46 -2.82 114.38 115.53 1xkg h ARG 231 Ca -0.01 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1xkg h ARG 231 Cb 1.09 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1xkg h ARG 231 CO 0.10 0.57 0.00 0.72 -1.51 0.00 0.00 179.97 179.85 1xkg n HIS 232 N -4.66 0.39 -1.64 2.20 8.25 -0.64 -4.91 115.22 114.20 1xkg n HIS 232 Ca 0.11 -0.19 -0.47 0.00 -0.26 0.00 0.00 57.72 56.91 1xkg n HIS 232 Cb 0.16 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 1xkg n HIS 232 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1xkg n TYR 233 N 1.04 1.87 -0.05 4.41 9.36 -0.73 -0.71 117.16 132.35 1xkg n TYR 233 Ca 0.18 0.50 0.03 0.00 3.32 0.00 0.00 57.90 61.93 1xkg n TYR 233 Cb 0.50 -2.41 0.07 0.00 -0.63 0.00 0.00 39.34 36.87 1xkg n TYR 233 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1xkg n ASP 234 N 2.27 2.36 0.00 2.98 5.68 -1.26 -1.73 116.55 126.85 1xkg n ASP 234 Ca 0.14 -1.90 0.00 0.00 -0.50 0.00 0.00 54.79 52.52 1xkg n ASP 234 Cb 0.28 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 1xkg n ASP 234 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xkg n GLY 235 N 0.06 0.57 0.17 6.12 0.00 -1.26 -4.15 105.19 106.71 1xkg n GLY 235 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1xkg n GLY 235 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xkg n ARG 236 N -1.90 0.52 -4.26 1.61 1.74 -1.26 -4.68 116.66 108.42 1xkg n ARG 236 Ca 0.00 -0.34 -0.14 0.00 -0.77 0.00 0.00 57.85 56.60 1xkg n ARG 236 Cb 0.05 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 29.89 1xkg n ARG 236 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1xkg s THR 237 N -2.71 0.50 -0.06 0.55 -4.23 -1.26 -5.13 115.64 103.29 1xkg s THR 237 Ca 0.18 -1.98 -0.24 0.00 -1.18 0.00 0.00 61.69 58.46 1xkg s THR 237 Cb 0.18 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 1xkg s THR 237 CO 0.62 -0.22 0.72 -0.63 -0.54 0.00 0.00 174.62 174.57 1xkg s ILE 238 N -3.79 5.03 -0.15 2.99 1.01 -1.26 -4.58 121.20 120.45 1xkg s ILE 238 Ca 0.31 1.49 -0.29 0.00 0.00 0.00 0.00 60.65 62.16 1xkg s ILE 238 Cb 0.07 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 1xkg s ILE 238 CO 0.09 0.24 1.50 -0.63 0.00 0.00 0.00 174.94 176.14 1xkg s ILE 239 N 0.85 3.86 -0.15 2.92 1.01 0.43 -4.84 121.20 125.28 1xkg s ILE 239 Ca 0.38 1.02 0.03 0.00 0.00 0.00 0.00 60.65 62.08 1xkg s ILE 239 Cb -0.18 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 1xkg s ILE 239 CO 0.19 -0.18 0.14 0.00 0.00 0.00 0.00 174.94 175.08 1xkg n GLN 240 N 7.15 5.88 -3.87 2.79 6.02 -1.26 -0.48 117.38 133.60 1xkg n GLN 240 Ca 0.17 -0.01 -0.09 0.00 -0.01 0.00 0.00 57.00 57.05 1xkg n GLN 240 Cb 0.44 -0.65 -0.06 0.00 1.02 0.00 0.00 30.24 30.99 1xkg n GLN 240 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1xkg s ARG 241 N -1.28 1.11 -0.35 -1.09 1.70 -1.26 -4.96 118.95 112.83 1xkg s ARG 241 Ca 0.01 -1.03 0.01 0.00 -0.47 0.00 0.00 55.73 54.25 1xkg s ARG 241 Cb 0.02 0.40 0.14 0.00 -0.57 0.00 0.00 34.95 34.95 1xkg s ARG 241 CO 0.13 -0.41 0.31 0.34 -1.08 0.00 0.00 175.30 174.58 1xkg s ASP 242 N -2.91 1.83 0.51 -2.89 2.15 -1.26 -5.05 116.67 109.05 1xkg s ASP 242 Ca 0.12 -1.57 -0.21 0.00 0.43 0.00 0.00 52.55 51.31 1xkg s ASP 242 Cb 0.03 0.26 -0.06 0.00 -0.30 0.00 0.00 42.92 42.85 1xkg s ASP 242 CO -0.04 -0.30 1.18 0.20 -0.17 0.00 0.00 175.17 176.03 1xkg s ASN 243 N 1.54 5.84 0.00 -0.34 0.01 -1.26 -4.68 114.94 116.06 1xkg s ASN 243 Ca 0.15 2.32 0.00 0.00 -0.71 0.00 0.00 52.86 54.62 1xkg s ASN 243 Cb -0.17 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 38.89 1xkg s ASN 243 CO -0.09 -1.14 0.00 0.61 -1.51 0.00 0.00 177.10 174.96 1xkg n GLY 244 N 0.40 0.11 0.00 0.66 0.00 -1.26 -2.41 105.19 102.69 1xkg n GLY 244 Ca 0.10 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.82 1xkg n GLY 244 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xkg n TYR 245 N -0.46 0.00 -3.84 1.61 4.01 -1.26 -4.98 117.16 112.24 1xkg n TYR 245 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 1xkg n TYR 245 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 38.90 1xkg n TYR 245 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1xkg s GLN 246 N -1.63 2.10 0.43 -0.72 -0.21 -1.26 -5.07 119.66 113.30 1xkg s GLN 246 Ca 0.00 -1.64 -0.22 0.00 0.02 0.00 0.00 55.36 53.52 1xkg s GLN 246 Cb 0.00 -3.42 -0.10 0.00 1.00 0.00 0.00 33.01 30.49 1xkg s GLN 246 CO 0.00 -0.91 0.99 -1.25 -2.12 0.00 0.00 175.29 172.00 1xkg s PRO 247 N 1.16 4.12 0.11 2.91 0.04 -1.26 -4.47 135.00 137.60 1xkg s PRO 247 Ca 0.04 1.28 0.10 0.00 0.04 0.00 0.00 61.00 62.46 1xkg s PRO 247 Cb -0.21 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 1xkg s PRO 247 CO -0.03 -0.14 -0.26 -0.80 0.04 0.00 0.00 177.00 175.81 1xkg s ASN 248 N -1.96 3.36 0.15 6.66 0.01 -0.17 -4.03 114.94 118.97 1xkg s ASN 248 Ca 0.62 -0.68 0.06 0.00 -0.71 0.00 0.00 52.86 52.15 1xkg s ASN 248 Cb -0.14 -0.28 -0.04 0.00 0.41 0.00 0.00 41.25 41.19 1xkg s ASN 248 CO 0.18 0.20 0.03 -0.31 -1.51 0.00 0.00 177.10 175.70 1xkg s TYR 249 N -1.00 2.95 0.13 2.20 2.02 0.06 -0.46 117.35 123.25 1xkg s TYR 249 Ca 0.14 -0.09 -0.17 0.00 -0.37 0.00 0.00 57.07 56.58 1xkg s TYR 249 Cb -0.10 -1.44 0.04 0.00 -0.40 0.00 0.00 41.96 40.06 1xkg s TYR 249 CO 0.05 0.51 0.44 -1.58 -1.57 0.00 0.00 175.55 173.40 1xkg s HIS 250 N -1.65 -0.25 -0.04 2.71 5.65 -0.28 -0.95 115.29 120.49 1xkg s HIS 250 Ca 0.28 -0.05 0.06 0.00 0.25 0.00 0.00 55.06 55.59 1xkg s HIS 250 Cb -0.10 0.31 -0.01 0.00 -1.18 0.00 0.00 32.58 31.60 1xkg s HIS 250 CO 0.20 -0.74 -0.20 0.00 -0.65 0.00 0.00 174.74 173.35 1xkg s ALA 251 N -3.80 1.76 0.17 1.58 0.00 -1.26 -1.19 121.76 119.02 1xkg s ALA 251 Ca 0.03 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.17 1xkg s ALA 251 Cb 0.01 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1xkg s ALA 251 CO -0.12 0.37 0.14 1.33 0.00 0.00 0.00 175.76 177.48 1xkg n VAL 252 N 2.89 0.00 -4.78 0.00 0.24 -0.29 -4.74 118.33 111.64 1xkg n VAL 252 Ca -0.17 -1.25 -0.25 0.00 -2.04 0.00 0.00 64.34 60.64 1xkg n VAL 252 Cb 0.53 0.61 -0.15 0.00 -1.47 0.00 0.00 33.84 33.36 1xkg n VAL 252 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1xkg s ASN 253 N -2.20 2.13 -0.16 -1.34 -0.87 -0.69 -1.20 114.94 110.62 1xkg s ASN 253 Ca 0.20 -0.37 -0.24 0.00 -1.57 0.00 0.00 52.86 50.88 1xkg s ASN 253 Cb 0.01 -0.22 -0.02 0.00 -0.02 0.00 0.00 41.25 41.00 1xkg s ASN 253 CO 0.14 0.20 0.78 -0.63 -2.57 0.00 0.00 177.10 175.02 1xkg s ILE 254 N -0.52 4.93 -0.08 0.60 1.01 0.22 -0.13 121.20 127.24 1xkg s ILE 254 Ca 0.07 1.54 0.11 0.00 0.00 0.00 0.00 60.65 62.36 1xkg s ILE 254 Cb -0.07 -4.09 0.17 0.00 0.01 0.00 0.00 42.46 38.47 1xkg s ILE 254 CO -0.00 0.08 1.07 1.33 0.00 0.00 0.00 174.94 177.41 1xkg n VAL 255 N 4.57 1.18 0.00 2.92 0.24 0.35 -1.43 118.33 126.17 1xkg n VAL 255 Ca 0.03 -1.40 0.00 0.00 -2.04 0.00 0.00 64.34 60.92 1xkg n VAL 255 Cb 0.49 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 1xkg n VAL 255 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xkg n GLY 256 N -0.88 -0.49 3.49 7.63 0.00 -1.19 -0.55 105.19 113.20 1xkg n GLY 256 Ca 0.09 -1.25 -0.15 0.00 0.00 0.00 0.00 46.02 44.71 1xkg n GLY 256 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xkg s TYR 257 N -2.00 -0.59 0.00 1.61 -0.85 0.31 -0.93 117.35 114.90 1xkg s TYR 257 Ca 0.00 0.81 0.00 0.00 -0.52 0.00 0.00 57.07 57.36 1xkg s TYR 257 Cb 0.00 0.46 0.00 0.00 0.38 0.00 0.00 41.96 42.80 1xkg s TYR 257 CO 0.00 -0.66 0.00 0.45 -1.52 0.00 0.00 175.55 173.82 1xkg n SER 258 N 0.45 0.00 -3.86 -0.18 2.88 -0.82 -1.90 113.62 110.19 1xkg n SER 258 Ca -0.17 -0.64 -0.18 0.00 -1.33 0.00 0.00 58.87 56.55 1xkg n SER 258 Cb 0.60 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.90 1xkg n SER 258 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1xkg s ASN 259 N 0.07 0.59 -0.05 -3.46 3.84 -1.26 -1.04 114.94 113.63 1xkg s ASN 259 Ca 0.00 -0.07 -0.08 0.00 0.21 0.00 0.00 52.86 52.93 1xkg s ASN 259 Cb 0.00 -0.28 0.01 0.00 -0.55 0.00 0.00 41.25 40.43 1xkg s ASN 259 CO 0.00 -0.07 0.19 0.00 -2.79 0.00 0.00 177.10 174.43 1xkg s ALA 260 N 0.85 -0.46 -1.39 1.71 0.00 -0.23 -4.85 121.76 117.39 1xkg s ALA 260 Ca -0.10 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1xkg s ALA 260 Cb -0.13 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1xkg s ALA 260 CO -0.01 -0.14 0.00 1.04 0.00 0.00 0.00 175.76 176.65 1xkg n GLN 261 N 2.36 -1.86 -0.96 0.00 1.13 -1.26 -0.74 117.38 116.06 1xkg n GLN 261 Ca -0.16 0.78 0.00 0.00 -1.94 0.00 0.00 57.00 55.68 1xkg n GLN 261 Cb 0.57 -5.32 0.00 0.00 0.11 0.00 0.00 30.24 25.60 1xkg n GLN 261 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xkg n GLY 262 N -0.72 0.65 3.54 1.08 0.00 -1.26 -5.02 105.19 103.46 1xkg n GLY 262 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1xkg n GLY 262 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xkg s VAL 263 N -2.77 4.49 0.16 1.61 1.01 0.09 -5.09 120.40 119.89 1xkg s VAL 263 Ca 0.00 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 1xkg s VAL 263 Cb 0.00 -3.04 -0.07 0.00 0.00 0.00 0.00 36.38 33.27 1xkg s VAL 263 CO 0.00 0.42 0.96 -1.81 0.00 0.00 0.00 175.10 174.67 1xkg s ASP 264 N 0.85 7.54 0.04 3.32 1.01 -1.26 -1.07 116.67 127.09 1xkg s ASP 264 Ca 0.03 1.86 -0.07 0.00 0.71 0.00 0.00 52.55 55.08 1xkg s ASP 264 Cb -0.14 -2.60 -0.00 0.00 1.01 0.00 0.00 42.92 41.19 1xkg s ASP 264 CO 0.02 0.00 0.14 -0.72 0.21 0.00 0.00 175.17 174.82 1xkg s TYR 265 N -0.40 0.13 0.10 4.23 -0.85 -0.21 -0.86 117.35 119.49 1xkg s TYR 265 Ca 0.45 -0.38 -0.09 0.00 -0.52 0.00 0.00 57.07 56.53 1xkg s TYR 265 Cb -0.24 -0.09 -0.06 0.00 0.38 0.00 0.00 41.96 41.95 1xkg s TYR 265 CO 0.31 -0.38 0.41 -1.58 -1.52 0.00 0.00 175.55 172.79 1xkg s TRP 266 N -2.47 3.56 -0.22 -3.49 0.52 0.12 -1.95 118.94 115.00 1xkg s TRP 266 Ca -0.06 0.77 -0.14 0.00 0.02 0.00 0.00 56.10 56.69 1xkg s TRP 266 Cb -0.02 -2.15 -0.04 0.00 -1.15 0.00 0.00 33.47 30.11 1xkg s TRP 266 CO -0.04 0.48 0.30 0.42 0.02 0.00 0.00 176.95 178.14 1xkg s ILE 267 N -1.47 5.26 -0.09 2.03 1.01 -0.10 -1.49 121.20 126.35 1xkg s ILE 267 Ca 0.35 0.50 0.03 0.00 0.00 0.00 0.00 60.65 61.53 1xkg s ILE 267 Cb -0.13 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 38.71 1xkg s ILE 267 CO 0.19 0.29 -0.18 -0.69 0.00 0.00 0.00 174.94 174.55 1xkg s VAL 268 N 1.20 1.60 -0.17 2.92 1.01 0.60 -0.50 120.40 127.07 1xkg s VAL 268 Ca 0.14 -0.74 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 1xkg s VAL 268 Cb -0.14 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1xkg s VAL 268 CO 0.06 0.46 0.61 -0.60 0.00 0.00 0.00 175.10 175.63 1xkg s ARG 269 N 0.57 4.26 0.44 2.72 3.52 0.82 -0.36 118.95 130.91 1xkg s ARG 269 Ca -0.15 0.62 0.07 0.00 -0.13 0.00 0.00 55.73 56.13 1xkg s ARG 269 Cb -0.17 -3.54 -0.02 0.00 -1.56 0.00 0.00 34.95 29.66 1xkg s ARG 269 CO 0.05 -0.14 0.32 1.21 -0.81 0.00 0.00 175.30 175.93 1xkg s ASN 270 N 1.07 4.76 -0.28 -2.12 3.84 -1.02 -1.70 114.94 119.49 1xkg s ASN 270 Ca 0.29 -0.97 0.10 0.00 0.21 0.00 0.00 52.86 52.49 1xkg s ASN 270 Cb -0.16 -0.32 0.46 0.00 -0.55 0.00 0.00 41.25 40.69 1xkg s ASN 270 CO 0.11 -0.72 1.18 -1.54 -2.79 0.00 0.00 177.10 173.34 1xkg n SER 271 N -1.50 4.27 -1.10 -4.21 3.41 -1.26 -4.54 113.62 108.69 1xkg n SER 271 Ca 0.01 -3.50 -0.03 0.00 -0.26 0.00 0.00 58.87 55.08 1xkg n SER 271 Cb 0.63 -0.37 0.20 0.00 -0.26 0.00 0.00 64.21 64.41 1xkg n SER 271 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1xkg n TRP 272 N -0.70 0.95 -0.53 7.33 8.01 -1.19 -0.67 117.44 130.63 1xkg n TRP 272 Ca 0.37 -1.62 0.07 0.00 -1.31 0.00 0.00 57.50 55.01 1xkg n TRP 272 Cb 0.93 -0.46 -0.02 0.00 -2.01 0.00 0.00 31.31 29.75 1xkg n TRP 272 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1xkg n ASP 273 N -1.12 -3.15 0.07 -0.99 -0.08 -0.17 -4.26 116.55 106.84 1xkg n ASP 273 Ca 0.32 0.26 0.13 0.00 -1.51 0.00 0.00 54.79 53.99 1xkg n ASP 273 Cb 0.98 -1.64 0.38 0.00 2.34 0.00 0.00 41.12 43.19 1xkg n ASP 273 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1xkg n THR 274 N -2.51 0.38 1.44 5.18 -2.24 -1.26 -3.27 114.28 112.00 1xkg n THR 274 Ca -0.00 -0.20 0.14 0.00 -2.27 0.00 0.00 64.05 61.71 1xkg n THR 274 Cb 0.24 -0.39 0.73 0.00 -2.10 0.00 0.00 70.33 68.81 1xkg n THR 274 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xkg n ASN 275 N -2.02 0.00 -4.87 3.42 3.02 -1.26 -3.03 115.26 110.52 1xkg n ASN 275 Ca 0.05 -0.37 -0.37 0.00 -0.03 0.00 0.00 54.58 53.87 1xkg n ASN 275 Cb 0.41 -0.19 -0.06 0.00 -0.61 0.00 0.00 39.78 39.33 1xkg n ASN 275 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1xkg s TRP 276 N -2.38 3.64 0.00 3.10 -0.00 -1.20 -4.82 118.94 117.28 1xkg s TRP 276 Ca 0.31 0.70 0.00 0.00 -0.00 0.00 0.00 56.10 57.12 1xkg s TRP 276 Cb 0.19 -2.07 0.00 0.00 -0.00 0.00 0.00 33.47 31.58 1xkg s TRP 276 CO 0.38 0.67 0.00 0.41 -0.00 0.00 0.00 176.95 178.41 1xkg n GLY 277 N 1.68 1.56 3.38 5.86 0.00 -0.70 -0.28 105.19 116.68 1xkg n GLY 277 Ca -0.15 -0.58 -0.46 0.00 0.00 0.00 0.00 46.02 44.83 1xkg n GLY 277 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xkg s ASP 278 N -4.00 6.68 -1.42 1.61 2.15 0.87 -4.05 116.67 118.51 1xkg s ASP 278 Ca 0.00 -2.39 -0.11 0.00 0.43 0.00 0.00 52.55 50.48 1xkg s ASP 278 Cb 0.00 -2.28 0.08 0.00 -0.30 0.00 0.00 42.92 40.41 1xkg s ASP 278 CO 0.00 -0.78 0.66 0.59 -0.17 0.00 0.00 175.17 175.47 1xkg n ASN 279 N 5.04 -4.28 0.00 -0.34 3.02 -1.23 -1.76 115.26 115.71 1xkg n ASN 279 Ca 0.16 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 1xkg n ASN 279 Cb 0.47 -3.49 0.00 0.00 -0.61 0.00 0.00 39.78 36.16 1xkg n ASN 279 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xkg n GLY 280 N -1.37 0.15 3.88 7.41 0.00 0.62 -4.66 105.19 111.21 1xkg n GLY 280 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1xkg n GLY 280 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xkg s TYR 281 N -2.04 3.13 0.14 1.61 2.02 -0.72 -2.45 117.35 119.05 1xkg s TYR 281 Ca 0.00 -0.14 -0.01 0.00 -0.37 0.00 0.00 57.07 56.55 1xkg s TYR 281 Cb 0.00 -1.58 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 1xkg s TYR 281 CO 0.00 0.38 0.06 0.20 -1.57 0.00 0.00 175.55 174.62 1xkg s GLY 282 N -3.94 1.03 -0.19 0.71 0.00 0.51 -0.09 107.32 105.35 1xkg s GLY 282 Ca 0.36 -1.49 0.01 0.00 0.00 0.00 0.00 44.72 43.60 1xkg s GLY 282 CO 0.27 -1.38 -0.15 -0.19 0.00 0.00 0.00 173.10 171.65 1xkg s TYR 283 N -4.03 2.63 -0.11 1.90 2.02 -1.26 -0.29 117.35 118.21 1xkg s TYR 283 Ca 0.25 -1.64 0.03 0.00 -0.37 0.00 0.00 57.07 55.34 1xkg s TYR 283 Cb 0.07 -1.78 -0.00 0.00 -0.40 0.00 0.00 41.96 39.85 1xkg s TYR 283 CO 0.02 -0.77 -0.23 -0.06 -1.57 0.00 0.00 175.55 172.94 1xkg s PHE 284 N 1.33 2.59 0.28 2.71 2.99 -0.55 -0.43 117.98 126.91 1xkg s PHE 284 Ca 0.01 -1.03 -0.29 0.00 0.00 0.00 0.00 56.93 55.63 1xkg s PHE 284 Cb -0.15 -1.73 -0.14 0.00 0.00 0.00 0.00 43.02 41.00 1xkg s PHE 284 CO -0.10 -0.41 1.12 0.00 -0.00 0.00 0.00 175.22 175.82 1xkg n ALA 285 N 3.56 0.14 -2.72 5.36 0.00 0.36 0.11 120.51 127.32 1xkg n ALA 285 Ca -0.19 0.39 -0.25 0.00 0.00 0.00 0.00 53.44 53.39 1xkg n ALA 285 Cb 0.53 -2.09 -0.06 0.00 0.00 0.00 0.00 19.45 17.82 1xkg n ALA 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xkg s ALA 286 N -0.88 3.36 0.00 0.00 0.00 -0.04 -4.52 121.76 119.68 1xkg s ALA 286 Ca 0.60 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1xkg s ALA 286 Cb -0.69 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1xkg s ALA 286 CO 0.59 0.42 0.00 0.09 0.00 0.00 0.00 175.76 176.86 1xkg n ASN 287 N -0.46 0.00 -0.15 0.00 3.02 -1.26 -4.72 115.26 111.68 1xkg n ASN 287 Ca -0.09 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.53 1xkg n ASN 287 Cb 0.56 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.84 1xkg n ASN 287 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1xkg n ILE 288 N -2.00 1.64 -3.90 2.41 -5.35 -1.26 -4.98 119.36 105.91 1xkg n ILE 288 Ca 0.00 -1.82 -0.28 0.00 -0.27 0.00 0.00 62.75 60.38 1xkg n ILE 288 Cb 0.00 0.00 0.02 0.00 -1.74 0.00 0.00 39.64 37.92 1xkg n ILE 288 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1xkg n ASP 289 N -1.00 -3.39 -4.70 7.28 2.03 -1.26 -4.85 116.55 110.66 1xkg n ASP 289 Ca 0.12 -0.83 -0.42 0.00 0.52 0.00 0.00 54.79 54.17 1xkg n ASP 289 Cb 0.54 -3.73 -0.03 0.00 -0.72 0.00 0.00 41.12 37.19 1xkg n ASP 289 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1xkg s LEU 290 N -7.11 4.39 -1.32 -2.67 2.96 -1.26 -1.48 118.68 112.18 1xkg s LEU 290 Ca 0.46 2.79 0.00 0.00 -0.22 0.00 0.00 54.13 57.15 1xkg s LEU 290 Cb -0.23 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.88 1xkg s LEU 290 CO 0.84 -0.99 0.00 0.23 -1.32 0.00 0.00 176.35 175.11 1xkg n MET 291 N 5.13 -2.00 -1.23 1.98 2.81 -1.26 -1.33 117.12 121.22 1xkg n MET 291 Ca 0.17 0.75 -0.08 0.00 -1.81 0.00 0.00 57.70 56.73 1xkg n MET 291 Cb 0.37 -5.35 -0.03 0.00 -0.71 0.00 0.00 33.22 27.50 1xkg n MET 291 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1xkg n MET 292 N -2.82 -1.17 0.26 0.03 2.81 -0.55 -0.68 117.12 115.00 1xkg n MET 292 Ca -0.18 0.70 0.12 0.00 -1.81 0.00 0.00 57.70 56.54 1xkg n MET 292 Cb 0.63 -4.78 0.73 0.00 -0.71 0.00 0.00 33.22 29.10 1xkg n MET 292 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 1xkg h ILE 293 N 0.00 0.60 -0.48 2.02 2.10 -1.30 -1.29 117.51 119.16 1xkg h ILE 293 Ca -0.16 -0.47 0.00 0.00 1.08 0.00 0.00 64.86 65.31 1xkg h ILE 293 Cb 0.82 1.30 0.00 0.00 -1.09 0.00 0.00 36.82 37.85 1xkg h ILE 293 CO 0.23 0.11 0.00 -0.62 -1.08 0.00 0.00 178.15 176.79 1xkg n GLU 294 N -3.72 4.16 -0.12 2.19 1.02 -1.26 -4.42 120.64 118.50 1xkg n GLU 294 Ca -0.02 -2.58 -0.17 0.00 -0.02 0.00 0.00 57.16 54.36 1xkg n GLU 294 Cb 0.22 -2.11 -0.13 0.00 -0.02 0.00 0.00 31.44 29.40 1xkg n GLU 294 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xkg n GLU 295 N 0.54 0.66 -3.38 3.49 1.02 -0.49 -4.49 120.64 117.99 1xkg n GLU 295 Ca 0.23 0.14 -0.26 0.00 -0.02 0.00 0.00 57.16 57.25 1xkg n GLU 295 Cb 1.02 -1.53 -0.09 0.00 -0.02 0.00 0.00 31.44 30.82 1xkg n GLU 295 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1xkg n TYR 296 N -3.20 0.96 -3.67 -0.32 4.01 -1.26 -4.81 117.16 108.87 1xkg n TYR 296 Ca -0.43 -3.75 -0.37 0.00 -0.16 0.00 0.00 57.90 53.19 1xkg n TYR 296 Cb 1.02 -0.30 -0.06 0.00 -0.31 0.00 0.00 39.34 39.69 1xkg n TYR 296 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1xkg s PRO 297 N -1.26 3.75 -0.04 -0.72 0.02 -1.26 -3.68 135.00 131.81 1xkg s PRO 297 Ca 0.34 0.14 0.04 0.00 0.02 0.00 0.00 61.00 61.55 1xkg s PRO 297 Cb 0.11 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1xkg s PRO 297 CO -0.11 0.68 -0.15 0.71 -0.33 0.00 0.00 177.00 177.80 1xkg s TYR 298 N -0.90 1.56 -0.07 6.54 2.02 0.72 -0.65 117.35 126.58 1xkg s TYR 298 Ca 0.19 -0.46 0.04 0.00 -0.37 0.00 0.00 57.07 56.47 1xkg s TYR 298 Cb -0.14 -1.07 -0.02 0.00 -0.40 0.00 0.00 41.96 40.33 1xkg s TYR 298 CO 0.08 -0.17 -0.19 0.08 -1.57 0.00 0.00 175.55 173.78 1xkg s VAL 299 N 0.15 2.59 0.04 0.71 1.01 -0.32 -1.47 120.40 123.10 1xkg s VAL 299 Ca -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1xkg s VAL 299 Cb -0.12 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1xkg s VAL 299 CO 0.02 0.57 0.15 0.68 0.00 0.00 0.00 175.10 176.52 1xkg s VAL 300 N -0.26 5.08 -0.13 2.92 -7.23 -1.26 -1.20 120.40 118.32 1xkg s VAL 300 Ca 0.00 -0.43 0.00 0.00 -1.81 0.00 0.00 61.98 59.75 1xkg s VAL 300 Cb -0.13 -3.42 0.02 0.00 0.56 0.00 0.00 36.38 33.41 1xkg s VAL 300 CO 0.03 0.22 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.29 1xkg s ILE 301 N -1.38 1.33 -0.13 -0.62 1.01 0.02 -4.97 121.20 116.45 1xkg s ILE 301 Ca 0.30 -0.48 -0.26 0.00 0.00 0.00 0.00 60.65 60.21 1xkg s ILE 301 Cb -0.13 -1.28 -0.23 0.00 0.01 0.00 0.00 42.46 40.84 1xkg s ILE 301 CO 0.22 0.42 0.70 0.25 0.00 0.00 0.00 174.94 176.52 1xkg h LEU 302 N 8.05 -0.00 0.00 2.97 5.85 -1.94 -0.56 115.31 129.67 1xkg h LEU 302 Ca -0.34 -0.86 0.00 0.00 0.84 0.00 0.00 57.88 57.51 1xkg h LEU 302 Cb 1.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1xkg h LEU 302 CO 0.47 0.92 0.00 0.61 -0.34 0.00 0.00 178.44 180.11 1xkg n GLY 303 N 1.58 3.12 1.64 3.75 0.00 -1.26 -2.51 105.19 111.51 1xkg n GLY 303 Ca -0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.63 1xkg n GLY 303 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xkg n GLN 304 N 14.00 3.29 -1.68 1.61 1.13 -1.26 -4.98 117.38 129.49 1xkg n GLN 304 Ca 0.00 -3.06 -0.43 0.00 -1.94 0.00 0.00 57.00 51.57 1xkg n GLN 304 Cb 0.00 -2.08 -0.01 0.00 0.11 0.00 0.00 30.24 28.26 1xkg n GLN 304 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 1xkg n THR 305 N -0.38 1.75 -0.89 5.09 5.66 -1.04 -5.06 114.28 119.41 1xkg n THR 305 Ca 0.36 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 1xkg n THR 305 Cb 1.23 -1.47 0.00 0.00 -1.55 0.00 0.00 70.33 68.54 1xkg n THR 305 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63