#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kgp s ASN 3 N 0.00 6.82 0.40 4.04 0.01 -1.26 -4.95 114.94 120.00 1kgp s ASN 3 Ca 0.00 1.53 0.14 0.00 -0.71 0.00 0.00 52.86 53.81 1kgp s ASN 3 Cb 0.00 -2.48 0.97 0.00 0.41 0.00 0.00 41.25 40.16 1kgp s ASN 3 CO 0.00 -0.36 1.89 -0.33 -1.51 0.00 0.00 177.10 176.79 1kgp h GLU 4 N 1.81 0.50 -0.01 -0.60 5.08 -2.09 -2.00 114.58 117.27 1kgp h GLU 4 Ca -0.48 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1kgp h GLU 4 Cb 1.18 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1kgp h GLU 4 CO 0.62 0.33 -0.11 2.48 -1.00 0.00 0.00 179.01 181.33 1kgp n TYR 5 N -4.52 0.00 -0.19 4.33 4.11 -1.26 -4.40 117.16 115.23 1kgp n TYR 5 Ca 0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 58.03 1kgp n TYR 5 Cb 0.55 -0.06 0.06 0.00 -0.00 0.00 0.00 39.34 39.88 1kgp n TYR 5 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.86 176.42 1kgp h ASP 6 N 1.66 0.50 -0.22 9.48 3.32 -1.74 -1.70 116.42 127.70 1kgp h ASP 6 Ca 0.00 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1kgp h ASP 6 Cb 0.47 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1kgp h ASP 6 CO 0.00 0.34 -0.17 1.05 -1.72 0.00 0.00 179.24 178.74 1kgp h GLU 7 N 0.62 0.65 -0.21 3.56 4.11 -1.79 -1.50 114.58 120.02 1kgp h GLU 7 Ca 0.24 -0.23 -0.03 0.00 0.07 0.00 0.00 59.36 59.42 1kgp h GLU 7 Cb 0.10 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1kgp h GLU 7 CO -0.14 0.79 0.02 -0.92 0.07 0.00 0.00 179.01 178.82 1kgp h TYR 8 N 0.59 0.38 -0.82 2.06 3.20 -1.75 -1.31 116.97 119.31 1kgp h TYR 8 Ca 0.10 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1kgp h TYR 8 Cb 0.62 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 1kgp h TYR 8 CO 0.03 0.52 0.38 0.82 -1.64 0.00 0.00 178.16 178.27 1kgp h ILE 9 N 0.13 1.26 0.00 1.81 2.04 -1.18 -1.11 117.51 120.46 1kgp h ILE 9 Ca 0.06 -0.74 -0.07 0.00 1.00 0.00 0.00 64.86 65.11 1kgp h ILE 9 Cb 0.36 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1kgp h ILE 9 CO 0.01 0.31 -0.36 0.00 0.00 0.00 0.00 178.15 178.11 1kgp h ALA 10 N 1.20 1.08 -0.22 1.87 0.00 -1.20 -2.99 119.26 119.00 1kgp h ALA 10 Ca 0.28 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1kgp h ALA 10 Cb 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1kgp h ALA 10 CO -0.03 0.45 0.00 0.09 0.00 0.00 0.00 179.25 179.75 1kgp n ASN 11 N -3.63 2.73 -3.18 0.00 3.02 -0.50 -4.30 115.26 109.40 1kgp n ASN 11 Ca -0.01 -1.88 -0.23 0.00 -0.03 0.00 0.00 54.58 52.44 1kgp n ASN 11 Cb 0.47 -0.14 -0.05 0.00 -0.61 0.00 0.00 39.78 39.45 1kgp n ASN 11 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1kgp n HIS 12 N 1.05 1.20 0.30 3.10 8.25 -0.47 -4.91 115.22 123.74 1kgp n HIS 12 Ca 0.17 -3.82 0.19 0.00 -0.26 0.00 0.00 57.72 54.00 1kgp n HIS 12 Cb 0.51 -0.43 0.86 0.00 1.12 0.00 0.00 29.99 32.05 1kgp n HIS 12 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kgp h THR 13 N 1.95 0.00 -3.92 1.59 1.03 -1.75 -3.44 112.91 108.38 1kgp h THR 13 Ca 0.11 -0.32 -0.52 0.00 -0.01 0.00 0.00 66.41 65.67 1kgp h THR 13 Cb 0.82 1.30 0.06 0.00 -1.07 0.00 0.00 68.15 69.26 1kgp h THR 13 CO 0.59 0.00 0.57 -1.81 -0.01 0.00 0.00 175.52 174.86 1kgp s ASP 14 N -5.43 6.57 0.36 0.00 1.11 -1.26 -4.98 116.67 113.05 1kgp s ASP 14 Ca -0.01 2.52 -0.27 0.00 0.18 0.00 0.00 52.55 54.98 1kgp s ASP 14 Cb 0.10 -2.63 -0.09 0.00 1.07 0.00 0.00 42.92 41.37 1kgp s ASP 14 CO 0.49 -0.65 1.22 -2.84 1.18 0.00 0.00 175.17 174.56 1kgp s PRO 15 N -2.08 4.21 -0.00 8.23 0.02 -1.26 -5.01 135.00 139.11 1kgp s PRO 15 Ca 0.54 1.99 -0.25 0.00 0.02 0.00 0.00 61.00 63.30 1kgp s PRO 15 Cb -0.35 -2.88 -0.04 0.00 0.02 0.00 0.00 34.50 31.24 1kgp s PRO 15 CO 0.46 -0.23 0.77 0.08 -0.33 0.00 0.00 177.00 177.74 1kgp s VAL 16 N -1.27 4.87 -0.03 3.83 1.01 -1.26 -5.05 120.40 122.50 1kgp s VAL 16 Ca 0.53 1.61 0.03 0.00 0.00 0.00 0.00 61.98 64.15 1kgp s VAL 16 Cb -0.35 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 1kgp s VAL 16 CO 0.45 0.30 -0.12 -0.54 0.00 0.00 0.00 175.10 175.18 1kgp s LYS 17 N 0.41 2.50 0.15 2.72 1.02 -1.26 -5.12 119.74 120.16 1kgp s LYS 17 Ca 0.40 -0.71 -0.24 0.00 0.02 0.00 0.00 55.97 55.44 1kgp s LYS 17 Cb -0.19 -2.41 -0.08 0.00 -0.52 0.00 0.00 37.83 34.63 1kgp s LYS 17 CO 0.22 0.62 0.72 0.00 -0.92 0.00 0.00 175.35 175.99 1kgp s ALA 18 N -0.81 3.48 0.31 5.17 0.00 -1.26 -5.03 121.76 123.62 1kgp s ALA 18 Ca 0.13 0.27 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 1kgp s ALA 18 Cb -0.11 -2.87 -0.10 0.00 0.00 0.00 0.00 23.12 20.04 1kgp s ALA 18 CO 0.02 0.32 1.42 -1.50 0.00 0.00 0.00 175.76 176.03 1kgp s ILE 19 N -1.16 2.49 -0.25 0.00 2.07 -1.26 -5.00 121.20 118.08 1kgp s ILE 19 Ca 0.34 0.45 0.02 0.00 -1.41 0.00 0.00 60.65 60.06 1kgp s ILE 19 Cb -0.22 -3.29 0.06 0.00 0.13 0.00 0.00 42.46 39.14 1kgp s ILE 19 CO 0.24 0.09 -0.08 0.21 -1.91 0.00 0.00 174.94 173.49 1kgp s ASN 20 N -0.00 4.25 0.00 4.50 2.47 -1.26 -4.98 114.94 119.92 1kgp s ASN 20 Ca 0.55 -1.35 0.25 0.00 0.42 0.00 0.00 52.86 52.73 1kgp s ASN 20 Cb -0.43 -1.42 1.10 0.00 -1.45 0.00 0.00 41.25 39.06 1kgp s ASN 20 CO 0.51 -0.21 1.76 0.79 -3.72 0.00 0.00 177.10 176.22 1kgp n TRP 21 N 4.51 0.07 0.32 0.43 7.02 -1.26 -3.64 117.44 124.88 1kgp n TRP 21 Ca -0.13 -0.03 0.13 0.00 -1.02 0.00 0.00 57.50 56.45 1kgp n TRP 21 Cb 0.43 0.00 0.29 0.00 -2.42 0.00 0.00 31.31 29.60 1kgp n TRP 21 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 1kgp h ASN 22 N 1.64 0.00 -3.22 -0.99 -1.24 -2.03 -3.42 115.58 106.32 1kgp h ASN 22 Ca 0.00 0.00 -0.49 0.00 0.71 0.00 0.00 56.30 56.52 1kgp h ASN 22 Cb 0.35 0.00 -0.38 0.00 0.73 0.00 0.00 38.32 39.03 1kgp h ASN 22 CO 0.00 0.00 -0.78 0.54 -1.29 0.00 0.00 177.43 175.90 1kgp s VAL 23 N -3.24 0.71 -0.40 2.57 0.11 -1.24 -5.11 120.40 113.81 1kgp s VAL 23 Ca 0.07 -0.12 -0.00 0.00 -2.93 0.00 0.00 61.98 59.00 1kgp s VAL 23 Cb 0.07 -0.82 0.11 0.00 -1.53 0.00 0.00 36.38 34.21 1kgp s VAL 23 CO 0.63 0.29 0.16 -0.63 -3.33 0.00 0.00 175.10 172.22 1kgp s ILE 24 N 1.83 2.92 0.50 7.04 -1.09 -1.26 -4.89 121.20 126.25 1kgp s ILE 24 Ca 0.05 -2.23 0.15 0.00 -2.23 0.00 0.00 60.65 56.39 1kgp s ILE 24 Cb -0.13 -3.05 0.24 0.00 -1.58 0.00 0.00 42.46 37.95 1kgp s ILE 24 CO -0.07 -0.67 2.10 -0.65 -1.23 0.00 0.00 174.94 174.42 1kgp h PRO 25 N 7.81 0.00 -3.95 2.79 0.11 -1.99 -3.37 132.00 133.40 1kgp h PRO 25 Ca -0.09 -0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.42 1kgp h PRO 25 Cb 1.03 -0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.74 1kgp h PRO 25 CO 0.63 0.06 -0.76 0.34 -0.21 0.00 0.00 178.00 178.07 1kgp s ASP 26 N -7.05 3.97 0.47 -2.05 -1.08 -1.26 -5.00 116.67 104.68 1kgp s ASP 26 Ca -0.05 -1.51 0.28 0.00 -0.52 0.00 0.00 52.55 50.76 1kgp s ASP 26 Cb 0.17 -1.04 1.35 0.00 -1.46 0.00 0.00 42.92 41.94 1kgp s ASP 26 CO 0.68 -0.35 1.77 -0.33 0.52 0.00 0.00 175.17 177.46 1kgp h GLU 27 N 7.99 0.17 -0.76 4.34 5.08 -2.03 -1.13 114.58 128.25 1kgp h GLU 27 Ca -0.13 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1kgp h GLU 27 Cb 1.04 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.21 1kgp h GLU 27 CO 0.45 0.11 0.50 -0.22 -1.00 0.00 0.00 179.01 178.85 1kgp h LYS 28 N 0.18 0.84 -0.43 2.33 1.63 -1.95 -2.10 116.57 117.06 1kgp h LYS 28 Ca 0.60 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 60.37 1kgp h LYS 28 Cb 1.97 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 33.38 1kgp h LYS 28 CO -0.16 0.56 0.24 -0.44 -3.45 0.00 0.00 179.45 176.19 1kgp h ASP 29 N 0.87 0.38 -0.04 4.20 3.32 -1.60 -0.56 116.42 122.99 1kgp h ASP 29 Ca 0.31 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.21 1kgp h ASP 29 Cb 0.14 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1kgp h ASP 29 CO -0.10 0.27 -0.52 0.25 -1.72 0.00 0.00 179.24 177.42 1kgp h LEU 30 N 0.49 0.67 -0.44 1.55 5.85 -1.60 -0.26 115.31 121.57 1kgp h LEU 30 Ca 0.18 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 1kgp h LEU 30 Cb 0.04 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1kgp h LEU 30 CO -0.10 1.07 0.12 -0.33 -0.34 0.00 0.00 178.44 178.86 1kgp h GLU 31 N 0.48 0.69 -0.31 1.25 5.08 -1.14 -0.87 114.58 119.76 1kgp h GLU 31 Ca 0.02 -0.16 -0.14 0.00 -1.00 0.00 0.00 59.36 58.07 1kgp h GLU 31 Cb 1.07 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1kgp h GLU 31 CO 0.10 0.69 -0.36 0.28 -1.00 0.00 0.00 179.01 178.71 1kgp h VAL 32 N 0.57 1.29 -0.27 3.13 2.07 -1.07 -0.86 116.25 121.12 1kgp h VAL 32 Ca 0.14 -1.54 0.02 0.00 0.82 0.00 0.00 66.70 66.13 1kgp h VAL 32 Cb 0.29 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1kgp h VAL 32 CO -0.00 0.50 0.14 -0.25 0.02 0.00 0.00 177.57 177.98 1kgp h TRP 33 N 0.56 0.26 -0.70 1.57 2.91 -0.95 0.20 115.95 119.80 1kgp h TRP 33 Ca 0.04 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.03 1kgp h TRP 33 Cb 0.95 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 29.49 1kgp h TRP 33 CO 0.07 0.15 0.26 -0.44 -1.03 0.00 0.00 178.44 177.45 1kgp h ASP 34 N 0.29 0.97 0.03 2.65 3.32 -1.07 -1.05 116.42 121.56 1kgp h ASP 34 Ca 0.11 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1kgp h ASP 34 Cb 0.02 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.32 1kgp h ASP 34 CO -0.07 0.88 -0.01 -0.09 -1.72 0.00 0.00 179.24 178.23 1kgp h ARG 35 N 1.02 -0.03 -0.06 3.56 2.43 -0.80 -1.47 114.38 119.03 1kgp h ARG 35 Ca 0.23 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1kgp h ARG 35 Cb 0.23 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1kgp h ARG 35 CO -0.02 0.29 0.02 -0.07 -1.51 0.00 0.00 179.97 178.68 1kgp h LEU 36 N -0.35 0.09 -0.84 3.80 3.38 -0.89 -1.72 115.31 118.77 1kgp h LEU 36 Ca -0.00 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 1kgp h LEU 36 Cb 0.33 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1kgp h LEU 36 CO 0.01 0.25 -0.26 0.71 0.09 0.00 0.00 178.44 179.23 1kgp h THR 37 N -0.08 1.27 0.00 0.22 1.35 -1.29 -2.11 112.91 112.28 1kgp h THR 37 Ca 0.02 -1.33 -0.03 0.00 -0.55 0.00 0.00 66.41 64.53 1kgp h THR 37 Cb 0.19 1.34 -0.00 0.00 -1.73 0.00 0.00 68.15 67.95 1kgp h THR 37 CO -0.00 0.43 -0.12 1.23 -0.25 0.00 0.00 175.52 176.80 1kgp h GLY 38 N 1.02 0.00 -2.25 5.82 0.00 -1.16 -2.58 103.07 103.92 1kgp h GLY 38 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1kgp h GLY 38 CO 0.05 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.29 1kgp n ASN 39 N -3.42 3.38 -4.66 0.19 5.03 -0.66 -4.99 115.26 110.15 1kgp n ASN 39 Ca -0.01 -2.34 -0.45 0.00 0.87 0.00 0.00 54.58 52.65 1kgp n ASN 39 Cb 0.30 -0.49 -0.02 0.00 -1.02 0.00 0.00 39.78 38.55 1kgp n ASN 39 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1kgp n PHE 40 N 0.60 1.98 -3.63 3.10 7.35 -0.97 -4.99 117.46 120.90 1kgp n PHE 40 Ca 0.17 0.52 -0.10 0.00 -0.76 0.00 0.00 57.45 57.27 1kgp n PHE 40 Cb 0.66 -2.41 -0.04 0.00 0.35 0.00 0.00 39.48 38.05 1kgp n PHE 40 CO 0.00 0.00 0.00 1.67 -0.76 0.00 0.00 176.76 177.67 1kgp s TRP 41 N -0.41 -0.23 -0.00 -5.13 1.48 -1.26 -5.13 118.94 108.26 1kgp s TRP 41 Ca 0.65 -0.08 0.03 0.00 -1.06 0.00 0.00 56.10 55.64 1kgp s TRP 41 Cb -0.66 0.34 -0.01 0.00 -1.16 0.00 0.00 33.47 31.98 1kgp s TRP 41 CO 0.54 -0.78 -0.09 -0.51 -4.06 0.00 0.00 176.95 172.05 1kgp s LEU 42 N -2.82 2.04 0.45 -4.66 1.43 -1.26 -5.05 118.68 108.81 1kgp s LEU 42 Ca 0.05 -0.19 0.19 0.00 -1.03 0.00 0.00 54.13 53.14 1kgp s LEU 42 Cb 0.01 -0.43 1.15 0.00 0.03 0.00 0.00 46.19 46.95 1kgp s LEU 42 CO -0.10 0.08 1.92 1.55 0.23 0.00 0.00 176.35 180.03 1kgp h PRO 43 N 5.80 0.31 0.00 1.29 0.13 -1.97 -1.66 132.00 135.89 1kgp h PRO 43 Ca -0.31 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1kgp h PRO 43 Cb 1.18 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1kgp h PRO 43 CO 0.49 0.20 0.03 0.39 -0.23 0.00 0.00 178.00 178.88 1kgp n GLU 44 N -4.45 0.10 0.21 0.86 4.71 -1.26 -1.53 120.64 119.28 1kgp n GLU 44 Ca 0.15 0.59 0.10 0.00 -0.01 0.00 0.00 57.16 57.99 1kgp n GLU 44 Cb 0.61 -1.86 0.26 0.00 -1.01 0.00 0.00 31.44 29.43 1kgp n GLU 44 CO 0.00 0.00 0.00 1.57 0.09 0.00 0.00 177.13 178.79 1kgp h LYS 45 N 0.00 0.00 -5.52 3.49 2.10 -1.74 -3.44 116.57 111.47 1kgp h LYS 45 Ca 0.00 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 58.06 1kgp h LYS 45 Cb 0.07 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.30 1kgp h LYS 45 CO 0.00 0.16 -0.33 0.42 -2.00 0.00 0.00 179.45 177.70 1kgp s ILE 46 N -3.29 5.31 -1.39 0.07 -1.09 -0.58 -5.01 121.20 115.21 1kgp s ILE 46 Ca 0.04 0.53 -0.16 0.00 -2.23 0.00 0.00 60.65 58.84 1kgp s ILE 46 Cb 0.07 -3.62 0.05 0.00 -1.58 0.00 0.00 42.46 37.39 1kgp s ILE 46 CO 0.66 0.41 2.03 -0.81 -1.23 0.00 0.00 174.94 176.00 1kgp n PRO 47 N 3.40 3.00 0.30 2.79 -0.04 -1.26 -4.79 135.00 138.40 1kgp n PRO 47 Ca -0.13 -2.89 0.16 0.00 -0.04 0.00 0.00 63.50 60.61 1kgp n PRO 47 Cb 0.52 -3.37 0.92 0.00 -0.04 0.00 0.00 33.50 31.53 1kgp n PRO 47 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1kgp h VAL 48 N 4.62 0.38 0.00 0.52 2.07 -1.91 -2.68 116.25 119.25 1kgp h VAL 48 Ca 0.52 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.83 1kgp h VAL 48 Cb 0.73 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1kgp h VAL 48 CO 1.71 0.04 0.00 0.77 0.02 0.00 0.00 177.57 180.11 1kgp h SER 49 N 0.00 0.00 0.21 0.57 4.64 -1.95 -0.29 113.55 116.73 1kgp h SER 49 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kgp h SER 49 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1kgp h SER 49 CO 0.01 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.56 1kgp n ASN 50 N -3.02 0.00 0.05 4.97 5.03 -1.01 -1.89 115.26 119.39 1kgp n ASN 50 Ca -0.01 -0.09 0.11 0.00 0.87 0.00 0.00 54.58 55.47 1kgp n ASN 50 Cb 0.20 -0.21 0.05 0.00 -1.02 0.00 0.00 39.78 38.80 1kgp n ASN 50 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1kgp n ASP 51 N -1.21 0.64 -0.32 6.41 8.00 -0.12 -4.37 116.55 125.59 1kgp n ASP 51 Ca 0.08 -0.02 0.10 0.00 0.71 0.00 0.00 54.79 55.66 1kgp n ASP 51 Cb 0.10 0.63 0.27 0.00 -0.02 0.00 0.00 41.12 42.10 1kgp n ASP 51 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1kgp h ILE 52 N 0.00 0.69 -0.16 0.53 2.04 -1.51 0.94 117.51 120.04 1kgp h ILE 52 Ca 0.00 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1kgp h ILE 52 Cb 0.79 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1kgp h ILE 52 CO 0.00 0.12 0.10 -0.61 0.00 0.00 0.00 178.15 177.76 1kgp h GLN 53 N 0.65 0.22 -0.12 2.37 4.15 -1.80 -1.14 115.11 119.44 1kgp h GLN 53 Ca 0.52 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.78 1kgp h GLN 53 Cb 0.80 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 1kgp h GLN 53 CO -0.39 0.19 -0.55 0.66 -1.93 0.00 0.00 178.83 176.81 1kgp h SER 54 N 0.18 0.38 -0.04 -0.69 4.64 -1.65 -3.01 113.55 113.36 1kgp h SER 54 Ca 0.06 -0.21 0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1kgp h SER 54 Cb 0.03 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1kgp h SER 54 CO -0.01 0.86 -0.02 -0.25 -0.87 0.00 0.00 176.83 176.53 1kgp h TRP 55 N 0.27 -0.06 0.00 4.77 2.91 -0.53 -2.06 115.95 121.25 1kgp h TRP 55 Ca 0.00 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.03 1kgp h TRP 55 Cb 1.05 0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.74 1kgp h TRP 55 CO 0.03 -0.04 -0.00 -0.91 -1.03 0.00 0.00 178.44 176.49 1kgp h ASN 56 N -0.02 0.00 0.34 2.65 2.35 -1.18 -0.27 115.58 119.45 1kgp h ASN 56 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1kgp h ASN 56 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1kgp h ASN 56 CO -0.06 0.00 -0.13 0.29 -1.65 0.00 0.00 177.43 175.88 1kgp n LYS 57 N -3.76 0.72 -2.91 0.81 5.02 -0.80 -4.88 118.16 112.35 1kgp n LYS 57 Ca -0.03 -0.28 -0.33 0.00 -2.02 0.00 0.00 58.31 55.64 1kgp n LYS 57 Cb 0.08 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.53 1kgp n LYS 57 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1kgp s MET 58 N -2.48 4.21 0.94 1.97 -1.94 -0.11 -5.04 119.30 116.84 1kgp s MET 58 Ca 0.28 1.01 -0.11 0.00 -1.71 0.00 0.00 55.69 55.16 1kgp s MET 58 Cb 0.20 -2.34 0.15 0.00 2.01 0.00 0.00 34.83 34.85 1kgp s MET 58 CO 0.48 0.07 1.09 0.95 -0.01 0.00 0.00 175.02 177.60 1kgp s THR 59 N -2.04 2.49 0.33 2.05 -4.23 -1.26 -4.79 115.64 108.19 1kgp s THR 59 Ca 0.58 0.16 0.04 0.00 -1.18 0.00 0.00 61.69 61.29 1kgp s THR 59 Cb -0.11 -2.47 0.16 0.00 1.34 0.00 0.00 72.50 71.42 1kgp s THR 59 CO 0.16 -0.21 1.87 -0.65 -0.54 0.00 0.00 174.62 175.25 1kgp h PRO 60 N -1.77 0.54 -0.30 3.99 0.11 -1.98 -1.38 132.00 131.21 1kgp h PRO 60 Ca -0.50 -0.12 -0.11 0.00 0.11 0.00 0.00 66.00 65.38 1kgp h PRO 60 Cb 1.28 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1kgp h PRO 60 CO 0.51 0.56 -0.28 1.96 -0.21 0.00 0.00 178.00 180.54 1kgp h GLN 61 N 0.51 0.62 -0.33 1.05 7.50 -1.99 -0.25 115.11 122.22 1kgp h GLN 61 Ca 0.11 -0.26 -0.13 0.00 0.50 0.00 0.00 58.65 58.87 1kgp h GLN 61 Cb 0.33 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.84 1kgp h GLN 61 CO 0.01 0.84 -0.31 0.93 -1.50 0.00 0.00 178.83 178.80 1kgp h GLU 62 N 0.53 0.79 -0.65 1.46 5.08 -1.78 -2.07 114.58 117.93 1kgp h GLU 62 Ca 0.07 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 57.96 1kgp h GLU 62 Cb 0.76 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1kgp h GLU 62 CO 0.06 1.04 0.20 1.96 -1.00 0.00 0.00 179.01 181.27 1kgp h GLN 63 N 0.56 1.02 -0.06 2.33 4.20 -1.09 -1.43 115.11 120.64 1kgp h GLN 63 Ca 0.05 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1kgp h GLN 63 Cb 0.89 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.52 1kgp h GLN 63 CO 0.08 0.90 0.03 1.25 -0.67 0.00 0.00 178.83 180.42 1kgp h LEU 64 N 0.95 0.07 -1.04 1.46 5.85 -0.98 -2.15 115.31 119.48 1kgp h LEU 64 Ca 0.21 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1kgp h LEU 64 Cb 0.30 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1kgp h LEU 64 CO -0.01 0.14 0.64 0.00 -0.34 0.00 0.00 178.44 178.88 1kgp h ALA 65 N 0.94 1.30 -0.21 1.25 0.00 -1.22 -2.18 119.26 119.13 1kgp h ALA 65 Ca 0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1kgp h ALA 65 Cb 0.08 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1kgp h ALA 65 CO -0.00 0.65 0.12 1.15 0.00 0.00 0.00 179.25 181.16 1kgp h THR 66 N 1.32 1.11 -0.20 0.00 2.02 -1.02 -0.89 112.91 115.24 1kgp h THR 66 Ca 0.36 -0.29 0.02 0.00 0.77 0.00 0.00 66.41 67.27 1kgp h THR 66 Cb -0.15 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1kgp h THR 66 CO -0.08 0.10 0.08 0.24 0.37 0.00 0.00 175.52 176.24 1kgp h MET 67 N 0.24 0.18 -0.38 6.66 2.07 -1.14 -1.45 114.93 121.12 1kgp h MET 67 Ca 0.08 -0.01 -0.02 0.00 -2.07 0.00 0.00 59.70 57.68 1kgp h MET 67 Cb 0.06 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 29.74 1kgp h MET 67 CO -0.01 0.12 0.16 0.00 1.07 0.00 0.00 176.91 178.25 1kgp h ARG 68 N 0.18 0.56 -0.67 1.72 3.08 -1.31 -1.75 114.38 116.18 1kgp h ARG 68 Ca 0.09 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1kgp h ARG 68 Cb 0.04 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1kgp h ARG 68 CO -0.08 0.52 0.31 0.28 -1.07 0.00 0.00 179.97 179.94 1kgp h VAL 69 N 0.47 1.23 -0.10 2.04 2.07 -1.02 -1.26 116.25 119.68 1kgp h VAL 69 Ca 0.13 -0.65 -0.12 0.00 0.82 0.00 0.00 66.70 66.87 1kgp h VAL 69 Cb 0.17 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1kgp h VAL 69 CO -0.01 0.27 -0.48 -0.26 0.02 0.00 0.00 177.57 177.11 1kgp h PHE 70 N 0.93 0.30 -0.34 1.57 0.04 -1.15 -0.74 116.94 117.56 1kgp h PHE 70 Ca 0.23 -0.09 -0.14 0.00 2.80 0.00 0.00 57.97 60.77 1kgp h PHE 70 Cb 0.13 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 1kgp h PHE 70 CO 0.01 0.68 -0.35 1.15 -0.60 0.00 0.00 178.31 179.19 1kgp h THR 71 N 0.20 1.28 -0.47 -1.55 2.02 -1.12 -0.04 112.91 113.22 1kgp h THR 71 Ca 0.01 -1.52 -0.02 0.00 0.77 0.00 0.00 66.41 65.66 1kgp h THR 71 Cb 0.92 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 1kgp h THR 71 CO 0.07 0.50 0.23 1.23 0.37 0.00 0.00 175.52 177.92 1kgp h GLY 72 N 0.93 0.73 1.05 2.16 0.00 -0.78 -0.93 103.07 106.23 1kgp h GLY 72 Ca 0.06 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 1kgp h GLY 72 CO 0.08 0.34 0.12 1.41 0.00 0.00 0.00 176.54 178.49 1kgp h LEU 73 N 0.62 1.01 -1.42 3.11 3.38 -0.95 -2.53 115.31 118.55 1kgp h LEU 73 Ca 0.16 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1kgp h LEU 73 Cb 0.11 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1kgp h LEU 73 CO -0.02 1.01 0.24 0.74 0.09 0.00 0.00 178.44 180.50 1kgp h THR 74 N 0.98 1.15 -0.27 0.22 2.02 -0.66 -1.16 112.91 115.19 1kgp h THR 74 Ca 0.20 -0.39 -0.10 0.00 0.77 0.00 0.00 66.41 66.88 1kgp h THR 74 Cb 0.42 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1kgp h THR 74 CO 0.01 0.17 -0.22 0.25 0.37 0.00 0.00 175.52 176.10 1kgp h LEU 75 N 0.64 0.66 -0.57 2.58 5.85 -0.89 -1.81 115.31 121.77 1kgp h LEU 75 Ca 0.16 -0.45 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 1kgp h LEU 75 Cb 0.04 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1kgp h LEU 75 CO -0.03 0.97 0.29 -0.07 -0.34 0.00 0.00 178.44 179.26 1kgp h LEU 76 N 0.35 0.73 -0.88 2.25 3.38 -1.03 -2.07 115.31 118.04 1kgp h LEU 76 Ca 0.05 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1kgp h LEU 76 Cb 0.77 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1kgp h LEU 76 CO 0.06 0.64 -0.27 0.44 0.09 0.00 0.00 178.44 179.39 1kgp h ASP 77 N 0.76 0.52 -0.59 -0.43 3.32 -1.22 -0.77 116.42 118.02 1kgp h ASP 77 Ca 0.20 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1kgp h ASP 77 Cb 0.09 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1kgp h ASP 77 CO -0.03 0.78 0.34 0.74 -1.72 0.00 0.00 179.24 179.35 1kgp h THR 78 N 0.45 1.18 -0.45 0.35 2.02 -1.00 -0.53 112.91 114.92 1kgp h THR 78 Ca 0.06 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 66.73 1kgp h THR 78 Cb 0.71 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1kgp h THR 78 CO 0.05 0.19 -0.08 0.40 0.37 0.00 0.00 175.52 176.45 1kgp h ILE 79 N 0.79 1.27 -0.25 3.11 2.04 -1.09 -1.24 117.51 122.14 1kgp h ILE 79 Ca 0.21 -1.18 -0.11 0.00 1.00 0.00 0.00 64.86 64.77 1kgp h ILE 79 Cb 0.00 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1kgp h ILE 79 CO -0.04 0.41 -0.32 -0.61 0.00 0.00 0.00 178.15 177.59 1kgp h GLN 80 N 0.68 0.53 0.01 2.37 5.75 -0.85 0.10 115.11 123.70 1kgp h GLN 80 Ca 0.12 -0.23 -0.24 0.00 -0.15 0.00 0.00 58.65 58.15 1kgp h GLN 80 Cb 0.62 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.12 1kgp h GLN 80 CO 0.04 0.79 -1.24 0.78 -2.65 0.00 0.00 178.83 176.55 1kgp h GLY 81 N 1.05 0.02 0.36 2.39 0.00 -1.05 -0.40 103.07 105.43 1kgp h GLY 81 Ca 0.05 -0.06 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 1kgp h GLY 81 CO 0.06 0.05 -1.99 -1.30 0.00 0.00 0.00 176.54 173.37 1kgp n THR 82 N -3.27 1.08 0.00 4.70 -2.24 -0.47 -4.71 114.28 109.37 1kgp n THR 82 Ca -0.06 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1kgp n THR 82 Cb 0.98 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1kgp n THR 82 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1kgp n VAL 83 N -2.72 0.00 0.00 2.28 0.31 -0.26 -4.81 118.33 113.13 1kgp n VAL 83 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1kgp n VAL 83 Cb 0.95 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 1kgp n VAL 83 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1kgp n GLY 84 N 2.97 -2.82 0.33 2.92 0.00 0.19 -1.31 105.19 107.47 1kgp n GLY 84 Ca 0.00 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.22 1kgp n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kgp h ALA 85 N -1.94 1.49 -0.28 4.61 0.00 -1.34 0.25 119.26 122.04 1kgp h ALA 85 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1kgp h ALA 85 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1kgp h ALA 85 CO 0.00 -0.13 0.06 0.82 0.00 0.00 0.00 179.25 180.00 1kgp h ILE 86 N 0.63 1.14 0.00 0.00 2.04 -1.77 -1.97 117.51 117.58 1kgp h ILE 86 Ca 0.54 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1kgp h ILE 86 Cb 0.86 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1kgp h ILE 86 CO -0.41 0.18 0.00 0.77 0.00 0.00 0.00 178.15 178.69 1kgp h SER 87 N 0.40 0.00 1.79 1.72 4.64 0.83 -2.95 113.55 119.98 1kgp h SER 87 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1kgp h SER 87 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1kgp h SER 87 CO -0.00 0.00 -0.18 -0.07 -0.87 0.00 0.00 176.83 175.71 1kgp h LEU 88 N 0.00 0.00 -0.33 5.97 3.38 -1.19 -3.40 115.31 119.74 1kgp h LEU 88 Ca 0.00 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1kgp h LEU 88 Cb 0.43 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 1kgp h LEU 88 CO 0.00 0.00 -0.15 -0.07 0.09 0.00 0.00 178.44 178.31 1kgp h LEU 89 N 0.00 -0.50 -2.48 1.67 4.07 -1.58 -2.97 115.31 113.51 1kgp h LEU 89 Ca 0.00 0.12 -0.00 0.00 0.08 0.00 0.00 57.88 58.08 1kgp h LEU 89 Cb 0.98 0.28 -0.00 0.00 1.08 0.00 0.00 40.66 43.01 1kgp h LEU 89 CO 0.00 -0.18 -0.00 -0.65 -1.08 0.00 0.00 178.44 176.52 1kgp h PRO 90 N -0.09 0.00 -0.21 1.13 0.11 -1.82 -2.76 132.00 128.36 1kgp h PRO 90 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1kgp h PRO 90 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 1kgp h PRO 90 CO -0.39 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.15 1kgp n ASP 91 N -3.81 2.80 -4.76 -2.05 10.43 -1.12 -4.99 116.55 113.04 1kgp n ASP 91 Ca -0.03 -1.89 -0.40 0.00 2.57 0.00 0.00 54.79 55.04 1kgp n ASP 91 Cb 0.08 -0.13 0.01 0.00 1.84 0.00 0.00 41.12 42.93 1kgp n ASP 91 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1kgp s ALA 92 N -1.74 3.19 -0.00 2.24 0.00 -1.04 -4.93 121.76 119.48 1kgp s ALA 92 Ca 0.35 1.39 0.11 0.00 0.00 0.00 0.00 51.96 53.80 1kgp s ALA 92 Cb 0.21 -3.56 -0.12 0.00 0.00 0.00 0.00 23.12 19.65 1kgp s ALA 92 CO 0.30 -1.12 1.24 0.93 0.00 0.00 0.00 175.76 177.12 1kgp h GLU 93 N 2.31 0.00 -4.83 0.00 4.39 -1.94 -3.47 114.58 111.04 1kgp h GLU 93 Ca -0.51 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 58.92 1kgp h GLU 93 Cb 1.26 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.76 1kgp h GLU 93 CO 0.61 0.74 -0.71 0.95 -1.16 0.00 0.00 179.01 179.44 1kgp s THR 94 N -2.80 0.87 0.21 1.13 -4.23 -1.26 -5.04 115.64 104.53 1kgp s THR 94 Ca 0.01 -1.83 0.20 0.00 -1.18 0.00 0.00 61.69 58.89 1kgp s THR 94 Cb 0.09 -1.57 0.17 0.00 1.34 0.00 0.00 72.50 72.53 1kgp s THR 94 CO 0.80 -0.73 1.80 0.24 -0.54 0.00 0.00 174.62 176.19 1kgp h MET 95 N 3.18 0.00 -0.12 3.99 2.86 -2.00 -2.55 114.93 120.29 1kgp h MET 95 Ca -0.36 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.16 1kgp h MET 95 Cb 1.18 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 1kgp h MET 95 CO 0.60 0.31 -0.45 0.45 1.06 0.00 0.00 176.91 178.88 1kgp h HIS 96 N 0.00 0.35 -0.50 -0.22 3.86 -1.96 -2.17 115.15 114.51 1kgp h HIS 96 Ca -0.00 -0.10 -0.07 0.00 -1.16 0.00 0.00 60.37 59.04 1kgp h HIS 96 Cb 0.77 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 29.15 1kgp h HIS 96 CO 0.00 0.69 0.04 1.49 0.86 0.00 0.00 177.93 181.01 1kgp h GLU 97 N 0.24 0.82 -0.53 2.45 4.81 -1.82 -1.39 114.58 119.16 1kgp h GLU 97 Ca 0.02 -0.21 -0.10 0.00 -0.13 0.00 0.00 59.36 58.94 1kgp h GLU 97 Cb 0.89 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1kgp h GLU 97 CO 0.07 0.80 -0.07 0.93 -0.73 0.00 0.00 179.01 180.01 1kgp h GLU 98 N 0.77 0.99 -0.53 1.92 5.08 -1.28 -1.63 114.58 119.89 1kgp h GLU 98 Ca 0.16 -0.35 0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1kgp h GLU 98 Cb 0.41 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1kgp h GLU 98 CO 0.01 1.03 0.33 0.00 -1.00 0.00 0.00 179.01 179.38 1kgp h ALA 99 N 0.93 0.68 -0.88 3.43 0.00 -0.87 -1.97 119.26 120.57 1kgp h ALA 99 Ca 0.14 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1kgp h ALA 99 Cb 0.63 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1kgp h ALA 99 CO 0.04 0.06 0.58 0.28 0.00 0.00 0.00 179.25 180.21 1kgp h VAL 100 N 0.66 1.21 -0.25 0.00 2.07 -0.97 -1.98 116.25 116.99 1kgp h VAL 100 Ca 0.21 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1kgp h VAL 100 Cb -0.01 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.67 1kgp h VAL 100 CO -0.08 0.21 -0.01 1.88 0.02 0.00 0.00 177.57 179.60 1kgp h TYR 101 N 1.17 0.38 -0.26 1.57 0.05 -0.58 -0.84 116.97 118.46 1kgp h TYR 101 Ca 0.33 -0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.98 1kgp h TYR 101 Cb -0.10 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.51 1kgp h TYR 101 CO -0.01 0.40 -0.27 1.79 -1.05 0.00 0.00 178.16 179.02 1kgp h THR 102 N 0.37 1.27 -0.34 -2.88 1.35 -0.79 -0.77 112.91 111.12 1kgp h THR 102 Ca 0.08 -1.32 -0.14 0.00 -0.55 0.00 0.00 66.41 64.49 1kgp h THR 102 Cb 0.26 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.03 1kgp h THR 102 CO 0.01 0.42 -0.35 -1.13 -0.25 0.00 0.00 175.52 174.22 1kgp h ASN 103 N 0.46 0.82 -0.22 5.36 -0.73 -0.99 -2.28 115.58 118.00 1kgp h ASN 103 Ca 0.06 -0.35 -0.01 0.00 1.87 0.00 0.00 56.30 57.87 1kgp h ASN 103 Cb 0.70 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 39.06 1kgp h ASN 103 CO 0.05 1.09 0.10 0.40 -0.37 0.00 0.00 177.43 178.70 1kgp h ILE 104 N 0.65 1.15 -0.40 2.57 2.04 -0.83 -0.81 117.51 121.88 1kgp h ILE 104 Ca 0.06 -0.45 0.06 0.00 1.00 0.00 0.00 64.86 65.53 1kgp h ILE 104 Cb 0.90 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 1kgp h ILE 104 CO 0.08 0.15 0.10 0.00 0.00 0.00 0.00 178.15 178.48 1kgp h ALA 105 N 0.95 0.44 -0.35 1.87 0.00 -1.09 -1.43 119.26 119.65 1kgp h ALA 105 Ca 0.08 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1kgp h ALA 105 Cb 0.15 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1kgp h ALA 105 CO -0.01 -0.30 0.23 0.35 0.00 0.00 0.00 179.25 179.52 1kgp h PHE 106 N 0.24 0.43 0.00 0.00 3.57 -1.15 -2.70 116.94 117.33 1kgp h PHE 106 Ca 0.19 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 1kgp h PHE 106 Cb 0.21 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1kgp h PHE 106 CO -0.18 0.27 -0.24 0.52 -2.23 0.00 0.00 178.31 176.45 1kgp h MET 107 N 0.46 0.00 -0.22 1.11 2.86 -0.74 -1.32 114.93 117.08 1kgp h MET 107 Ca 0.13 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.70 1kgp h MET 107 Cb -0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1kgp h MET 107 CO -0.03 0.24 -0.16 0.93 1.06 0.00 0.00 176.91 178.95 1kgp h GLU 108 N 0.00 0.37 -0.26 1.72 4.39 -0.95 0.18 114.58 120.03 1kgp h GLU 108 Ca -0.00 -0.11 -0.14 0.00 0.34 0.00 0.00 59.36 59.45 1kgp h GLU 108 Cb 0.55 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1kgp h GLU 108 CO 0.03 0.53 -0.43 0.77 -1.16 0.00 0.00 179.01 178.75 1kgp h SER 109 N 0.34 0.69 -0.59 1.42 0.02 -1.07 -0.35 113.55 114.01 1kgp h SER 109 Ca 0.06 -0.32 -0.10 0.00 -0.84 0.00 0.00 61.79 60.59 1kgp h SER 109 Cb 0.49 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1kgp h SER 109 CO 0.03 1.02 -0.03 0.58 -1.14 0.00 0.00 176.83 177.30 1kgp h VAL 110 N 0.52 1.27 0.02 2.27 2.07 -0.66 -0.19 116.25 121.54 1kgp h VAL 110 Ca 0.04 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 1kgp h VAL 110 Cb 0.95 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1kgp h VAL 110 CO 0.09 0.43 -0.01 0.45 0.02 0.00 0.00 177.57 178.54 1kgp h HIS 111 N 0.95 -0.02 -0.89 1.57 -0.00 -0.47 -0.93 115.15 115.36 1kgp h HIS 111 Ca 0.16 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.56 1kgp h HIS 111 Cb 0.59 0.01 -0.05 0.00 -0.00 0.00 0.00 27.41 27.96 1kgp h HIS 111 CO 0.04 0.13 0.58 0.00 -0.00 0.00 0.00 177.93 178.68 1kgp h ALA 112 N 0.81 1.17 -0.10 2.45 0.00 -0.95 -1.92 119.26 120.72 1kgp h ALA 112 Ca -0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1kgp h ALA 112 Cb 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1kgp h ALA 112 CO 0.00 0.45 -0.27 -0.22 0.00 0.00 0.00 179.25 179.22 1kgp h LYS 113 N 1.14 0.18 -0.78 0.00 3.64 -0.79 -3.01 116.57 116.96 1kgp h LYS 113 Ca 0.35 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.73 1kgp h LYS 113 Cb -0.03 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.71 1kgp h LYS 113 CO -0.11 0.44 0.46 0.77 -2.27 0.00 0.00 179.45 178.75 1kgp h SER 114 N 0.16 0.71 -0.83 4.20 0.02 -0.34 -1.25 113.55 116.21 1kgp h SER 114 Ca 0.03 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1kgp h SER 114 Cb 0.56 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.94 1kgp h SER 114 CO 0.04 0.45 0.51 1.88 -1.14 0.00 0.00 176.83 178.57 1kgp h TYR 115 N 0.84 1.09 -0.46 3.45 0.05 -1.44 -1.71 116.97 118.79 1kgp h TYR 115 Ca 0.35 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 59.03 1kgp h TYR 115 Cb 0.20 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 1kgp h TYR 115 CO -0.05 0.72 -0.12 0.77 -1.05 0.00 0.00 178.16 178.43 1kgp h SER 116 N 1.15 0.84 -0.91 3.88 0.02 -1.32 -0.75 113.55 116.46 1kgp h SER 116 Ca 0.30 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1kgp h SER 116 Cb -0.06 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.21 1kgp h SER 116 CO -0.06 0.98 0.56 0.78 -1.14 0.00 0.00 176.83 177.95 1kgp h ASN 117 N 0.76 1.08 0.51 3.07 4.21 -0.67 0.14 115.58 124.69 1kgp h ASN 117 Ca 0.12 -0.06 -0.03 0.00 1.21 0.00 0.00 56.30 57.55 1kgp h ASN 117 Cb 0.63 -0.27 0.01 0.00 -1.12 0.00 0.00 38.32 37.56 1kgp h ASN 117 CO 0.04 0.82 -0.25 0.40 -1.29 0.00 0.00 177.43 177.16 1kgp h ILE 118 N 1.25 0.45 -0.51 2.81 2.04 -0.92 -2.75 117.51 119.89 1kgp h ILE 118 Ca 0.33 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 66.02 1kgp h ILE 118 Cb -0.07 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 1kgp h ILE 118 CO -0.06 0.04 0.15 -0.26 0.00 0.00 0.00 178.15 178.01 1kgp h PHE 119 N -0.85 0.25 0.00 1.37 0.04 -0.93 -1.30 116.94 115.51 1kgp h PHE 119 Ca -0.07 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1kgp h PHE 119 Cb 0.59 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.71 1kgp h PHE 119 CO -0.01 0.05 0.00 -1.33 -0.60 0.00 0.00 178.31 176.42 1kgp n MET 120 N -5.05 0.19 -0.07 1.51 2.81 0.02 -0.38 117.12 116.15 1kgp n MET 120 Ca 0.06 0.44 -0.21 0.00 -1.81 0.00 0.00 57.70 56.18 1kgp n MET 120 Cb 0.23 -1.87 -0.13 0.00 -0.71 0.00 0.00 33.22 30.74 1kgp n MET 120 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1kgp n THR 121 N -2.23 1.63 -0.09 2.03 -1.04 -0.82 -4.76 114.28 109.00 1kgp n THR 121 Ca 0.02 -0.54 -0.19 0.00 -2.04 0.00 0.00 64.05 61.30 1kgp n THR 121 Cb 0.21 -1.66 -0.13 0.00 -1.82 0.00 0.00 70.33 66.93 1kgp n THR 121 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1kgp n LEU 122 N -3.56 2.78 -4.96 -4.42 4.77 -0.56 -4.98 117.00 106.07 1kgp n LEU 122 Ca -0.39 -0.03 -0.22 0.00 -0.03 0.00 0.00 56.01 55.34 1kgp n LEU 122 Cb 0.98 -0.92 0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1kgp n LEU 122 CO 0.31 0.90 0.30 0.00 -1.33 0.00 0.00 177.39 177.57 1kgp s ALA 123 N -2.53 3.85 0.40 -1.18 0.00 0.49 -5.03 121.76 117.76 1kgp s ALA 123 Ca -0.31 -1.19 -0.05 0.00 0.00 0.00 0.00 51.96 50.41 1kgp s ALA 123 Cb 0.08 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 1kgp s ALA 123 CO 0.66 -0.49 0.68 -1.54 0.00 0.00 0.00 175.76 175.06 1kgp s SER 124 N -4.30 6.35 0.44 0.00 1.04 -1.26 -4.77 113.70 111.21 1kgp s SER 124 Ca 0.52 0.82 0.10 0.00 0.48 0.00 0.00 55.95 57.87 1kgp s SER 124 Cb -0.10 -2.19 0.98 0.00 0.10 0.00 0.00 66.02 64.80 1kgp s SER 124 CO 0.38 -0.40 2.06 0.74 0.98 0.00 0.00 173.24 176.99 1kgp h THR 125 N 0.73 1.08 -0.64 2.02 2.02 -1.99 -1.25 112.91 114.89 1kgp h THR 125 Ca -0.48 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 66.38 1kgp h THR 125 Cb 1.20 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1kgp h THR 125 CO 0.63 0.09 0.04 -0.65 0.37 0.00 0.00 175.52 176.01 1kgp h PRO 126 N 0.32 1.09 -0.64 6.66 0.11 -1.99 0.72 132.00 138.28 1kgp h PRO 126 Ca 0.08 -0.33 -0.05 0.00 0.11 0.00 0.00 66.00 65.82 1kgp h PRO 126 Cb 0.03 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 1kgp h PRO 126 CO -0.01 1.04 0.20 1.96 -0.21 0.00 0.00 178.00 180.97 1kgp h GLN 127 N 1.01 0.99 -0.23 1.05 4.20 -1.71 -1.38 115.11 119.04 1kgp h GLN 127 Ca 0.19 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1kgp h GLN 127 Cb 0.52 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1kgp h GLN 127 CO 0.02 0.87 0.09 0.82 -0.67 0.00 0.00 178.83 179.97 1kgp h ILE 128 N 0.92 1.17 -0.81 2.54 2.04 -0.89 -2.27 117.51 120.20 1kgp h ILE 128 Ca 0.21 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 1kgp h ILE 128 Cb 0.30 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1kgp h ILE 128 CO -0.01 0.17 0.42 0.78 0.00 0.00 0.00 178.15 179.51 1kgp h ASN 129 N 0.22 1.04 -0.07 1.72 2.35 -0.70 -2.47 115.58 117.66 1kgp h ASN 129 Ca 0.08 -0.12 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 1kgp h ASN 129 Cb 0.19 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1kgp h ASN 129 CO -0.01 0.86 -0.12 -0.33 -1.65 0.00 0.00 177.43 176.18 1kgp h GLU 130 N 1.14 0.39 -0.26 0.81 5.08 -1.17 -1.65 114.58 118.92 1kgp h GLU 130 Ca 0.28 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.41 1kgp h GLU 130 Cb 0.07 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1kgp h GLU 130 CO -0.04 0.52 -0.33 0.00 -1.00 0.00 0.00 179.01 178.16 1kgp h ALA 131 N 1.51 0.39 -0.34 3.43 0.00 -1.00 -0.94 119.26 122.32 1kgp h ALA 131 Ca 0.07 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 1kgp h ALA 131 Cb 0.44 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1kgp h ALA 131 CO 0.03 0.44 -0.31 0.74 0.00 0.00 0.00 179.25 180.15 1kgp h PHE 132 N 0.42 0.84 -0.53 0.00 0.04 -1.33 -1.72 116.94 114.66 1kgp h PHE 132 Ca 0.03 -0.22 -0.01 0.00 2.80 0.00 0.00 57.97 60.58 1kgp h PHE 132 Cb 0.91 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.85 1kgp h PHE 132 CO 0.08 0.95 0.30 -0.09 -0.60 0.00 0.00 178.31 178.95 1kgp h ARG 133 N 0.62 0.73 -0.52 1.51 2.43 -1.22 -2.46 114.38 115.46 1kgp h ARG 133 Ca 0.07 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1kgp h ARG 133 Cb 0.83 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 1kgp h ARG 133 CO 0.07 0.54 0.32 2.35 -1.51 0.00 0.00 179.97 181.75 1kgp h TRP 134 N 0.71 0.61 -0.31 2.20 7.01 -0.90 -2.55 115.95 122.72 1kgp h TRP 134 Ca 0.19 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.21 1kgp h TRP 134 Cb 0.02 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 26.86 1kgp h TRP 134 CO -0.02 0.36 0.20 0.66 -2.79 0.00 0.00 178.44 176.86 1kgp h SER 135 N 0.65 0.35 1.14 2.65 4.64 -0.93 0.15 113.55 122.20 1kgp h SER 135 Ca 0.20 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.41 1kgp h SER 135 Cb -0.02 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1kgp h SER 135 CO -0.07 0.25 -0.47 -0.33 -0.87 0.00 0.00 176.83 175.34 1kgp h GLU 136 N 0.41 0.00 0.00 4.77 5.08 -1.05 -3.32 114.58 120.46 1kgp h GLU 136 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1kgp h GLU 136 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1kgp h GLU 136 CO -0.02 0.47 -1.43 0.39 -1.00 0.00 0.00 179.01 177.41 1kgp n GLU 137 N -3.38 0.34 -2.35 2.33 1.02 -0.65 -4.91 120.64 113.05 1kgp n GLU 137 Ca 0.01 -0.08 -0.43 0.00 -0.02 0.00 0.00 57.16 56.64 1kgp n GLU 137 Cb 0.63 -1.53 -0.02 0.00 -0.02 0.00 0.00 31.44 30.50 1kgp n GLU 137 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1kgp s ASN 138 N -3.85 6.67 0.30 1.62 3.84 -0.05 -4.91 114.94 118.55 1kgp s ASN 138 Ca 0.00 1.40 -0.01 0.00 0.21 0.00 0.00 52.86 54.47 1kgp s ASN 138 Cb 0.15 -2.54 0.46 0.00 -0.55 0.00 0.00 41.25 38.77 1kgp s ASN 138 CO 0.87 -1.05 1.90 -0.33 -2.79 0.00 0.00 177.10 175.70 1kgp h GLU 139 N 9.37 0.89 -0.19 0.43 4.39 -1.91 -1.26 114.58 126.30 1kgp h GLU 139 Ca -0.28 -0.12 -0.11 0.00 0.34 0.00 0.00 59.36 59.19 1kgp h GLU 139 Cb 1.11 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1kgp h GLU 139 CO 1.01 0.70 -0.33 -0.91 -1.16 0.00 0.00 179.01 178.32 1kgp h ASN 140 N 0.88 0.62 -0.17 1.42 2.35 -1.93 0.12 115.58 118.88 1kgp h ASN 140 Ca 0.22 -0.53 -0.01 0.00 -0.55 0.00 0.00 56.30 55.43 1kgp h ASN 140 Cb 0.11 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1kgp h ASN 140 CO -0.03 1.04 0.08 0.25 -1.65 0.00 0.00 177.43 177.12 1kgp h LEU 141 N 0.23 0.22 -0.95 1.61 5.85 -1.89 -0.89 115.31 119.49 1kgp h LEU 141 Ca 0.01 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 1kgp h LEU 141 Cb 0.92 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 1kgp h LEU 141 CO 0.07 0.27 0.41 1.56 -0.34 0.00 0.00 178.44 180.41 1kgp h GLN 142 N 0.15 1.16 -0.35 1.25 1.08 -1.21 -1.91 115.11 115.27 1kgp h GLN 142 Ca 0.06 -0.16 -0.03 0.00 -1.45 0.00 0.00 58.65 57.07 1kgp h GLN 142 Cb 0.11 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 1kgp h GLN 142 CO -0.01 0.88 0.08 -0.09 -0.95 0.00 0.00 178.83 178.74 1kgp h ARG 143 N 1.15 0.56 -0.45 1.46 2.43 -0.46 -1.48 114.38 117.59 1kgp h ARG 143 Ca 0.28 -0.13 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1kgp h ARG 143 Cb 0.09 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1kgp h ARG 143 CO -0.04 0.61 0.25 -0.22 -1.51 0.00 0.00 179.97 179.06 1kgp h LYS 144 N 0.41 0.48 -0.25 0.20 3.64 -0.94 -0.93 116.57 119.19 1kgp h LYS 144 Ca 0.11 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1kgp h LYS 144 Cb 0.30 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1kgp h LYS 144 CO 0.00 0.32 0.14 0.00 -2.27 0.00 0.00 179.45 177.64 1kgp h ALA 145 N 1.22 0.30 -0.34 5.00 0.00 -1.13 -2.55 119.26 121.77 1kgp h ALA 145 Ca 0.19 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1kgp h ALA 145 Cb 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1kgp h ALA 145 CO -0.11 -0.25 -0.16 0.87 0.00 0.00 0.00 179.25 179.60 1kgp h LYS 146 N 0.29 0.61 -0.29 0.00 1.57 -0.97 -0.87 116.57 116.91 1kgp h LYS 146 Ca 0.10 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1kgp h LYS 146 Cb -0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1kgp h LYS 146 CO -0.05 0.75 0.09 0.82 -0.57 0.00 0.00 179.45 180.49 1kgp h ILE 147 N 0.55 1.20 -0.33 1.86 2.04 -1.07 0.26 117.51 122.03 1kgp h ILE 147 Ca 0.09 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 1kgp h ILE 147 Cb 0.59 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1kgp h ILE 147 CO 0.04 0.22 0.09 0.40 0.00 0.00 0.00 178.15 178.90 1kgp h ILE 148 N 0.30 1.21 0.00 -0.67 1.08 -1.29 -2.68 117.51 115.47 1kgp h ILE 148 Ca 0.09 -0.70 -0.05 0.00 -0.39 0.00 0.00 64.86 63.81 1kgp h ILE 148 Cb 0.25 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 1kgp h ILE 148 CO -0.00 0.24 -0.24 0.24 -0.69 0.00 0.00 178.15 177.70 1kgp h MET 149 N 0.39 0.00 -0.19 2.37 2.86 -1.04 -2.39 114.93 116.92 1kgp h MET 149 Ca 0.11 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1kgp h MET 149 Cb 0.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1kgp h MET 149 CO -0.00 0.24 0.02 0.66 1.06 0.00 0.00 176.91 178.88 1kgp h SER 150 N 0.00 0.25 0.15 1.22 4.64 -0.58 -0.21 113.55 119.01 1kgp h SER 150 Ca -0.00 -0.03 -0.30 0.00 -0.47 0.00 0.00 61.79 60.99 1kgp h SER 150 Cb 0.47 -0.06 0.03 0.00 -0.31 0.00 0.00 62.40 62.53 1kgp h SER 150 CO 0.03 0.29 -1.25 1.88 -0.87 0.00 0.00 176.83 176.91 1kgp h TYR 151 N 0.27 0.97 -0.22 4.77 0.05 -1.41 -2.66 116.97 118.74 1kgp h TYR 151 Ca 0.07 -0.63 -0.04 0.00 0.05 0.00 0.00 58.73 58.17 1kgp h TYR 151 Cb 0.16 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1kgp h TYR 151 CO 0.00 1.48 -0.03 1.88 -1.05 0.00 0.00 178.16 180.44 1kgp h TYR 152 N 0.19 0.33 -0.01 4.88 0.05 -1.11 -1.50 116.97 119.80 1kgp h TYR 152 Ca -0.20 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.56 1kgp h TYR 152 Cb 1.94 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 39.58 1kgp h TYR 152 CO 0.13 0.37 -0.04 0.09 -1.05 0.00 0.00 178.16 177.66 1kgp n ASN 153 N -4.33 1.18 -2.16 3.88 4.13 -0.13 -4.91 115.26 112.92 1kgp n ASN 153 Ca 0.00 -1.29 -0.02 0.00 1.68 0.00 0.00 54.58 54.95 1kgp n ASN 153 Cb 0.22 0.01 0.01 0.00 -1.54 0.00 0.00 39.78 38.48 1kgp n ASN 153 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kgp n GLY 154 N 1.18 -0.28 0.27 7.41 0.00 -0.57 -5.04 105.19 108.17 1kgp n GLY 154 Ca 0.18 -1.81 0.09 0.00 0.00 0.00 0.00 46.02 44.49 1kgp n GLY 154 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kgp n ASP 155 N -3.03 2.69 -4.24 1.61 5.75 -1.26 -4.92 116.55 113.15 1kgp n ASP 155 Ca 0.01 -2.94 -0.39 0.00 -0.01 0.00 0.00 54.79 51.46 1kgp n ASP 155 Cb 0.04 -0.41 -0.11 0.00 -1.03 0.00 0.00 41.12 39.61 1kgp n ASP 155 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1kgp s ASP 156 N -2.44 5.50 0.28 -1.12 -1.08 -1.26 -4.98 116.67 111.57 1kgp s ASP 156 Ca 0.31 -1.53 -0.03 0.00 -0.52 0.00 0.00 52.55 50.78 1kgp s ASP 156 Cb 0.26 -1.93 0.38 0.00 -1.46 0.00 0.00 42.92 40.18 1kgp s ASP 156 CO 0.04 -0.50 1.94 1.55 0.52 0.00 0.00 175.17 178.73 1kgp h PRO 157 N 8.31 1.17 -0.57 4.34 0.13 -1.94 -2.62 132.00 140.82 1kgp h PRO 157 Ca -0.21 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 64.80 1kgp h PRO 157 Cb 1.08 -0.26 -0.03 0.00 0.13 0.00 0.00 31.00 31.92 1kgp h PRO 157 CO 0.72 0.77 0.15 -0.07 -0.23 0.00 0.00 178.00 179.35 1kgp h LEU 158 N 1.20 0.81 -1.22 1.56 3.38 -1.98 -1.80 115.31 117.26 1kgp h LEU 158 Ca 0.35 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 1kgp h LEU 158 Cb -0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1kgp h LEU 158 CO -0.09 0.78 -0.35 0.11 0.09 0.00 0.00 178.44 178.98 1kgp h LYS 159 N 0.84 0.00 -0.49 1.13 1.57 -1.87 -1.40 116.57 116.34 1kgp h LYS 159 Ca 0.19 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.85 1kgp h LYS 159 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1kgp h LYS 159 CO -0.00 0.35 -0.16 0.87 -0.57 0.00 0.00 179.45 179.93 1kgp h LYS 160 N 0.00 0.98 -0.51 3.15 1.57 -1.04 -0.94 116.57 119.78 1kgp h LYS 160 Ca -0.00 -0.40 -0.09 0.00 -1.87 0.00 0.00 60.65 58.29 1kgp h LYS 160 Cb 0.72 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1kgp h LYS 160 CO 0.05 1.07 -0.05 0.87 -0.57 0.00 0.00 179.45 180.82 1kgp h LYS 161 N 0.84 0.89 0.02 3.15 1.57 -0.77 -0.60 116.57 121.66 1kgp h LYS 161 Ca 0.12 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1kgp h LYS 161 Cb 0.74 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1kgp h LYS 161 CO 0.06 0.92 -0.01 0.28 -0.57 0.00 0.00 179.45 180.13 1kgp h VAL 162 N 0.81 1.22 -0.75 0.50 2.07 -1.10 -0.72 116.25 118.29 1kgp h VAL 162 Ca 0.14 -0.72 0.08 0.00 0.82 0.00 0.00 66.70 67.03 1kgp h VAL 162 Cb 0.55 1.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 1kgp h VAL 162 CO 0.03 0.18 0.41 0.00 0.02 0.00 0.00 177.57 178.22 1kgp h ALA 163 N 0.64 1.03 -0.64 1.67 0.00 -1.05 -0.45 119.26 120.47 1kgp h ALA 163 Ca -0.00 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1kgp h ALA 163 Cb 0.32 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1kgp h ALA 163 CO 0.00 0.05 0.18 1.03 0.00 0.00 0.00 179.25 180.51 1kgp h SER 164 N 0.71 0.95 -0.34 0.00 0.87 -1.00 -1.17 113.55 113.57 1kgp h SER 164 Ca 0.35 -0.22 -0.17 0.00 -1.23 0.00 0.00 61.79 60.52 1kgp h SER 164 Cb 0.30 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1kgp h SER 164 CO -0.23 0.92 -0.44 0.74 -0.53 0.00 0.00 176.83 177.29 1kgp h THR 165 N 0.93 1.27 -0.32 2.23 2.02 -0.44 -0.56 112.91 118.05 1kgp h THR 165 Ca 0.20 -1.61 -0.06 0.00 0.77 0.00 0.00 66.41 65.71 1kgp h THR 165 Cb 0.33 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 1kgp h THR 165 CO -0.00 0.54 -0.05 -0.07 0.37 0.00 0.00 175.52 176.30 1kgp h LEU 166 N 0.72 0.48 0.36 2.58 3.38 -0.98 0.20 115.31 122.06 1kgp h LEU 166 Ca 0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1kgp h LEU 166 Cb 1.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1kgp h LEU 166 CO 0.10 0.59 -0.17 0.25 0.09 0.00 0.00 178.44 179.29 1kgp h LEU 167 N 0.48 -0.41 -0.46 1.67 6.46 -0.98 -0.38 115.31 121.68 1kgp h LEU 167 Ca 0.10 -0.15 0.04 0.00 -0.12 0.00 0.00 57.88 57.75 1kgp h LEU 167 Cb 0.39 0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.39 1kgp h LEU 167 CO 0.02 -0.02 0.22 -0.33 -0.62 0.00 0.00 178.44 177.72 1kgp h GLU 168 N -0.89 0.43 -0.01 1.25 4.39 -0.86 -2.90 114.58 115.99 1kgp h GLU 168 Ca -0.05 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1kgp h GLU 168 Cb 0.54 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1kgp h GLU 168 CO 0.08 0.28 -0.44 0.43 -1.16 0.00 0.00 179.01 178.21 1kgp n SER 169 N -4.92 1.66 0.08 1.42 7.64 0.69 -4.70 113.62 115.49 1kgp n SER 169 Ca 0.03 -1.28 0.00 0.00 1.01 0.00 0.00 58.87 58.63 1kgp n SER 169 Cb 0.13 0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1kgp n SER 169 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1kgp n PHE 170 N -0.31 -1.29 0.17 1.43 7.35 -0.29 -4.40 117.46 120.13 1kgp n PHE 170 Ca 0.10 0.23 0.17 0.00 -0.76 0.00 0.00 57.45 57.19 1kgp n PHE 170 Cb 0.42 0.38 0.78 0.00 0.35 0.00 0.00 39.48 41.42 1kgp n PHE 170 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1kgp h LEU 171 N 0.00 0.00 -0.38 -2.13 3.38 -0.98 -2.33 115.31 112.87 1kgp h LEU 171 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1kgp h LEU 171 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1kgp h LEU 171 CO 0.00 0.00 -0.36 -0.26 0.09 0.00 0.00 178.44 177.91 1kgp h PHE 172 N 0.00 0.00 0.00 1.13 0.04 -1.82 -3.38 116.94 112.91 1kgp h PHE 172 Ca 0.11 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.81 1kgp h PHE 172 Cb 0.57 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 1kgp h PHE 172 CO 0.00 0.36 -0.34 1.88 -0.60 0.00 0.00 178.31 179.62 1kgp h TYR 173 N 0.00 0.00 0.00 -0.55 -1.99 -1.75 -1.38 116.97 111.30 1kgp h TYR 173 Ca -0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 1kgp h TYR 173 Cb 1.13 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.86 1kgp h TYR 173 CO 0.00 0.34 -0.03 0.66 -0.00 0.00 0.00 178.16 179.13 1kgp h SER 174 N 0.00 0.00 0.20 3.88 4.64 -1.76 -2.32 113.55 118.19 1kgp h SER 174 Ca -0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 1kgp h SER 174 Cb 0.75 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.81 1kgp h SER 174 CO 0.04 0.03 -1.95 0.61 -0.87 0.00 0.00 176.83 174.69 1kgp n GLY 175 N -0.59 -0.66 0.19 -0.77 0.00 -0.75 -4.11 105.19 98.51 1kgp n GLY 175 Ca -0.01 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.92 1kgp n GLY 175 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1kgp h PHE 176 N 0.05 0.00 -0.14 1.61 0.04 -0.83 -3.18 116.94 114.49 1kgp h PHE 176 Ca -0.40 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.37 1kgp h PHE 176 Cb 2.03 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 40.17 1kgp h PHE 176 CO 0.06 0.00 0.08 -0.92 -0.60 0.00 0.00 178.31 176.93 1kgp h TYR 177 N 0.00 0.18 -0.31 -0.55 5.03 -1.58 -3.04 116.97 116.70 1kgp h TYR 177 Ca 0.00 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.37 1kgp h TYR 177 Cb 0.33 -0.06 -0.06 0.00 1.55 0.00 0.00 36.73 38.49 1kgp h TYR 177 CO 0.00 0.18 -0.09 1.25 -1.32 0.00 0.00 178.16 178.17 1kgp h LEU 178 N 0.14 -0.34 -0.83 2.82 6.46 -1.79 0.55 115.31 122.32 1kgp h LEU 178 Ca 0.05 0.10 -0.12 0.00 -0.12 0.00 0.00 57.88 57.79 1kgp h LEU 178 Cb 0.05 0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1kgp h LEU 178 CO -0.01 -0.12 -0.46 1.55 -0.62 0.00 0.00 178.44 178.78 1kgp h PRO 179 N -0.02 0.28 -0.40 5.25 0.13 -1.75 -1.36 132.00 134.12 1kgp h PRO 179 Ca 0.15 -0.15 -0.14 0.00 -0.87 0.00 0.00 66.00 65.00 1kgp h PRO 179 Cb 0.26 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.38 1kgp h PRO 179 CO -0.34 0.69 -0.30 0.52 -0.23 0.00 0.00 178.00 178.34 1kgp h MET 180 N 0.23 0.88 0.60 0.86 2.86 -1.33 -1.35 114.93 117.68 1kgp h MET 180 Ca 0.01 -0.41 -0.03 0.00 -2.06 0.00 0.00 59.70 57.22 1kgp h MET 180 Cb 0.90 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.56 1kgp h MET 180 CO 0.07 1.06 -0.29 -0.92 1.06 0.00 0.00 176.91 177.89 1kgp h TYR 181 N 0.74 -0.75 -0.89 -0.22 5.03 -0.75 -2.65 116.97 117.48 1kgp h TYR 181 Ca 0.08 -0.02 0.12 0.00 2.58 0.00 0.00 58.73 61.49 1kgp h TYR 181 Cb 0.86 0.25 -0.08 0.00 1.55 0.00 0.00 36.73 39.30 1kgp h TYR 181 CO 0.05 -0.42 0.52 -0.07 -1.32 0.00 0.00 178.16 176.93 1kgp h LEU 182 N -0.97 0.73 -1.58 2.82 3.38 -1.24 -1.11 115.31 117.34 1kgp h LEU 182 Ca -0.08 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1kgp h LEU 182 Cb 0.67 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1kgp h LEU 182 CO 0.14 0.38 0.10 -1.28 0.09 0.00 0.00 178.44 177.87 1kgp h SER 183 N 0.82 0.34 1.14 -0.43 0.87 -0.98 0.23 113.55 115.53 1kgp h SER 183 Ca 0.45 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1kgp h SER 183 Cb 0.48 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1kgp h SER 183 CO -0.28 0.32 0.00 0.77 -0.53 0.00 0.00 176.83 177.10 1kgp h SER 184 N 0.38 0.00 -0.52 6.23 4.64 -0.83 -2.25 113.55 121.20 1kgp h SER 184 Ca 0.10 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.35 1kgp h SER 184 Cb 0.09 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.14 1kgp h SER 184 CO -0.01 0.00 0.07 0.54 -0.87 0.00 0.00 176.83 176.56 1kgp n ARG 185 N -2.80 3.90 -3.45 4.77 5.12 0.69 -4.95 116.66 119.93 1kgp n ARG 185 Ca 0.02 -3.06 -0.25 0.00 -1.93 0.00 0.00 57.85 52.63 1kgp n ARG 185 Cb 0.33 -2.12 0.05 0.00 -1.16 0.00 0.00 32.46 29.56 1kgp n ARG 185 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1kgp n ALA 186 N 0.01 -1.18 -2.83 7.54 0.00 -0.85 -5.01 120.51 118.19 1kgp n ALA 186 Ca 0.30 0.31 -0.23 0.00 0.00 0.00 0.00 53.44 53.81 1kgp n ALA 186 Cb 1.16 -4.61 -0.16 0.00 0.00 0.00 0.00 19.45 15.85 1kgp n ALA 186 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1kgp s LYS 187 N -6.16 1.33 -1.47 0.00 1.02 -0.53 -4.78 119.74 109.15 1kgp s LYS 187 Ca 0.50 -0.48 -0.09 0.00 0.02 0.00 0.00 55.97 55.91 1kgp s LYS 187 Cb -0.23 -1.21 0.06 0.00 -0.52 0.00 0.00 37.83 35.93 1kgp s LYS 187 CO 0.62 0.22 0.87 1.28 -0.92 0.00 0.00 175.35 177.42 1kgp n LEU 188 N 3.06 -2.66 0.16 3.17 4.77 -1.26 -2.61 117.00 121.62 1kgp n LEU 188 Ca -0.17 -0.81 0.02 0.00 -0.03 0.00 0.00 56.01 55.02 1kgp n LEU 188 Cb 0.54 -2.56 0.37 0.00 -2.33 0.00 0.00 43.42 39.44 1kgp n LEU 188 CO 0.25 0.45 0.78 0.71 -1.33 0.00 0.00 177.39 178.25 1kgp h THR 189 N -2.00 1.23 -0.01 -5.08 1.35 -1.90 -1.37 112.91 105.13 1kgp h THR 189 Ca -0.59 -1.08 -0.22 0.00 -0.55 0.00 0.00 66.41 63.96 1kgp h THR 189 Cb 1.37 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 1kgp h THR 189 CO 0.64 0.32 -0.92 0.78 -0.25 0.00 0.00 175.52 176.09 1kgp h ASN 190 N 0.09 0.52 -0.68 5.36 2.35 -1.90 -2.89 115.58 118.44 1kgp h ASN 190 Ca 0.01 -0.41 -0.07 0.00 -0.55 0.00 0.00 56.30 55.29 1kgp h ASN 190 Cb 0.56 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 1kgp h ASN 190 CO 0.04 1.21 0.17 0.74 -1.65 0.00 0.00 177.43 177.93 1kgp h THR 191 N 0.23 1.26 -0.25 2.81 2.02 -1.82 -2.01 112.91 115.14 1kgp h THR 191 Ca -0.07 -0.95 0.01 0.00 0.77 0.00 0.00 66.41 66.16 1kgp h THR 191 Cb 1.55 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 1kgp h THR 191 CO 0.16 0.37 0.17 0.00 0.37 0.00 0.00 175.52 176.58 1kgp h ALA 192 N 1.14 1.85 -0.57 6.16 0.00 -1.16 -1.27 119.26 125.41 1kgp h ALA 192 Ca 0.22 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1kgp h ALA 192 Cb 0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1kgp h ALA 192 CO 0.00 0.13 0.05 -0.44 0.00 0.00 0.00 179.25 179.00 1kgp h ASP 193 N 0.32 0.90 -0.40 0.00 3.32 -1.15 0.46 116.42 119.86 1kgp h ASP 193 Ca 0.09 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 1kgp h ASP 193 Cb -0.00 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1kgp h ASP 193 CO -0.02 0.93 0.13 0.40 -1.72 0.00 0.00 179.24 178.96 1kgp h ILE 194 N 0.88 1.21 -0.64 0.35 2.04 -1.12 -2.00 117.51 118.23 1kgp h ILE 194 Ca 0.17 -0.70 0.06 0.00 1.00 0.00 0.00 64.86 65.38 1kgp h ILE 194 Cb 0.44 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 1kgp h ILE 194 CO 0.02 0.25 0.35 0.40 0.00 0.00 0.00 178.15 179.17 1kgp h ILE 195 N 0.50 0.96 -0.91 -0.67 1.08 -0.90 -1.13 117.51 116.45 1kgp h ILE 195 Ca 0.13 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.37 1kgp h ILE 195 Cb 0.26 0.25 -0.04 0.00 -3.07 0.00 0.00 36.82 34.22 1kgp h ILE 195 CO -0.00 0.12 0.54 0.03 -0.69 0.00 0.00 178.15 178.15 1kgp h ARG 196 N 0.65 1.24 -0.41 2.37 3.08 -0.68 0.89 114.38 121.52 1kgp h ARG 196 Ca 0.29 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 1kgp h ARG 196 Cb 0.18 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1kgp h ARG 196 CO -0.18 0.87 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.51 1kgp h LEU 197 N 1.25 0.64 -0.24 3.04 3.38 -0.59 0.84 115.31 123.62 1kgp h LEU 197 Ca 0.33 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 1kgp h LEU 197 Cb -0.05 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1kgp h LEU 197 CO -0.06 0.71 -0.30 0.40 0.09 0.00 0.00 178.44 179.28 1kgp h ILE 198 N 0.63 1.31 -0.50 1.22 2.04 -0.68 -2.94 117.51 118.60 1kgp h ILE 198 Ca 0.13 -1.48 -0.09 0.00 1.00 0.00 0.00 64.86 64.42 1kgp h ILE 198 Cb 0.41 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 1kgp h ILE 198 CO 0.02 0.46 -0.04 0.40 0.00 0.00 0.00 178.15 178.99 1kgp h ILE 199 N 0.34 1.25 -0.04 -0.67 2.04 -0.55 0.08 117.51 119.98 1kgp h ILE 199 Ca 0.03 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 64.79 1kgp h ILE 199 Cb 0.87 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1kgp h ILE 199 CO 0.07 0.39 0.04 -0.09 0.00 0.00 0.00 178.15 178.56 1kgp h ARG 200 N 0.79 0.00 0.03 2.37 2.43 -0.78 -0.40 114.38 118.83 1kgp h ARG 200 Ca 0.14 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.09 1kgp h ARG 200 Cb 0.53 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1kgp h ARG 200 CO 0.03 0.00 -1.18 -0.44 -1.51 0.00 0.00 179.97 176.87 1kgp h ASP 201 N 0.00 0.10 -0.56 -3.80 3.32 -1.06 -3.35 116.42 111.07 1kgp h ASP 201 Ca 0.02 -0.67 0.00 0.00 0.02 0.00 0.00 57.03 56.40 1kgp h ASP 201 Cb 0.10 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1kgp h ASP 201 CO -0.00 1.48 0.37 -0.33 -1.72 0.00 0.00 179.24 179.03 1kgp h GLU 202 N -0.80 0.74 -0.61 3.56 4.39 -0.66 -0.35 114.58 120.85 1kgp h GLU 202 Ca -0.30 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.34 1kgp h GLU 202 Cb 1.40 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.86 1kgp h GLU 202 CO -0.11 0.49 0.34 1.03 -1.16 0.00 0.00 179.01 179.60 1kgp h SER 203 N 0.76 0.75 -0.19 1.42 0.87 -1.27 -0.48 113.55 115.41 1kgp h SER 203 Ca 0.20 -0.08 -0.16 0.00 -1.23 0.00 0.00 61.79 60.52 1kgp h SER 203 Cb -0.08 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.69 1kgp h SER 203 CO -0.04 0.62 -0.52 0.58 -0.53 0.00 0.00 176.83 176.93 1kgp h VAL 204 N 0.83 1.31 -0.11 2.23 2.07 -1.53 -2.52 116.25 118.53 1kgp h VAL 204 Ca 0.22 -1.75 0.04 0.00 0.82 0.00 0.00 66.70 66.02 1kgp h VAL 204 Cb 0.03 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1kgp h VAL 204 CO -0.04 0.55 -0.20 0.45 0.02 0.00 0.00 177.57 178.35 1kgp h HIS 205 N 0.38 -0.52 -0.55 1.57 -0.00 -0.78 -0.00 115.15 115.25 1kgp h HIS 205 Ca -0.01 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.33 1kgp h HIS 205 Cb 1.14 0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 28.77 1kgp h HIS 205 CO 0.09 -0.28 0.13 0.78 -0.00 0.00 0.00 177.93 178.66 1kgp h GLY 206 N -0.26 0.91 0.89 2.45 0.00 -1.14 -0.97 103.07 104.96 1kgp h GLY 206 Ca 0.09 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 1kgp h GLY 206 CO -0.26 0.50 0.09 -1.82 0.00 0.00 0.00 176.54 175.04 1kgp h TYR 207 N 0.82 0.42 -0.23 5.60 3.20 -1.01 -1.58 116.97 124.19 1kgp h TYR 207 Ca 0.18 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1kgp h TYR 207 Cb 0.30 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1kgp h TYR 207 CO 0.02 0.45 -0.09 -0.92 -1.64 0.00 0.00 178.16 175.98 1kgp h TYR 208 N 0.26 0.54 -0.20 -3.82 3.20 -0.82 -1.22 116.97 114.91 1kgp h TYR 208 Ca 0.09 -0.13 -0.14 0.00 3.14 0.00 0.00 58.73 61.68 1kgp h TYR 208 Cb 0.23 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1kgp h TYR 208 CO 0.00 0.73 -0.47 0.82 -1.64 0.00 0.00 178.16 177.60 1kgp h ILE 209 N 0.20 1.31 -0.43 1.81 2.04 -1.23 -1.85 117.51 119.37 1kgp h ILE 209 Ca 0.06 -1.68 -0.11 0.00 1.00 0.00 0.00 64.86 64.12 1kgp h ILE 209 Cb 0.57 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 1kgp h ILE 209 CO 0.03 0.52 -0.17 1.23 0.00 0.00 0.00 178.15 179.77 1kgp h GLY 210 N 1.08 0.88 1.01 5.37 0.00 -1.28 -1.48 103.07 108.65 1kgp h GLY 210 Ca 0.02 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 1kgp h GLY 210 CO 0.09 0.65 0.46 -1.82 0.00 0.00 0.00 176.54 175.92 1kgp h TYR 211 N 0.72 1.03 -0.10 5.60 3.20 -0.93 -1.66 116.97 124.83 1kgp h TYR 211 Ca 0.11 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.87 1kgp h TYR 211 Cb 0.68 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1kgp h TYR 211 CO 0.04 0.70 -0.41 0.87 -1.64 0.00 0.00 178.16 177.72 1kgp h LYS 212 N 1.06 0.23 -0.35 1.82 1.79 -1.01 -2.70 116.57 117.41 1kgp h LYS 212 Ca 0.28 -0.11 -0.02 0.00 -2.18 0.00 0.00 60.65 58.61 1kgp h LYS 212 Cb -0.02 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 1kgp h LYS 212 CO -0.05 0.61 0.12 -0.92 -1.08 0.00 0.00 179.45 178.13 1kgp h TYR 213 N 0.19 0.55 -0.70 -1.35 3.20 -0.69 -2.16 116.97 116.02 1kgp h TYR 213 Ca 0.02 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.86 1kgp h TYR 213 Cb 0.81 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.88 1kgp h TYR 213 CO 0.01 0.53 0.44 1.96 -1.64 0.00 0.00 178.16 179.46 1kgp h GLN 214 N 0.42 0.86 -0.30 1.82 4.20 -1.14 0.55 115.11 121.51 1kgp h GLN 214 Ca 0.11 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 1kgp h GLN 214 Cb 0.22 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1kgp h GLN 214 CO -0.01 0.57 -0.11 1.96 -0.67 0.00 0.00 178.83 180.57 1kgp h GLN 215 N 0.88 0.51 -0.00 1.46 4.20 -1.36 -2.20 115.11 118.60 1kgp h GLN 215 Ca 0.27 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 1kgp h GLN 215 Cb -0.02 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1kgp h GLN 215 CO -0.09 0.62 -0.17 0.78 -0.67 0.00 0.00 178.83 179.29 1kgp h GLY 216 N 0.92 0.14 2.00 3.46 0.00 -0.80 -3.31 103.07 105.48 1kgp h GLY 216 Ca 0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 1kgp h GLY 216 CO 0.03 0.21 -0.20 -0.24 0.00 0.00 0.00 176.54 176.33 1kgp h VAL 217 N -0.57 1.09 0.00 4.60 3.04 -0.91 -2.43 116.25 121.08 1kgp h VAL 217 Ca -0.02 -0.71 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 1kgp h VAL 217 Cb 0.93 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 1kgp h VAL 217 CO 0.03 0.20 0.00 0.29 -1.01 0.00 0.00 177.57 177.08 1kgp n LYS 218 N -4.21 0.15 0.00 4.17 5.02 -0.83 -2.15 118.16 120.31 1kgp n LYS 218 Ca -0.02 0.15 0.13 0.00 -2.02 0.00 0.00 58.31 56.55 1kgp n LYS 218 Cb 0.27 -1.50 0.39 0.00 -0.02 0.00 0.00 35.03 34.17 1kgp n LYS 218 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1kgp n LYS 219 N -1.37 1.17 -2.74 1.97 5.02 -0.91 -4.93 118.16 116.36 1kgp n LYS 219 Ca 0.07 -0.72 -0.20 0.00 -2.02 0.00 0.00 58.31 55.44 1kgp n LYS 219 Cb 0.17 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.72 1kgp n LYS 219 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1kgp s LEU 220 N -2.33 3.37 0.67 -0.35 1.43 -0.91 -5.08 118.68 115.48 1kgp s LEU 220 Ca 0.28 -0.14 -0.15 0.00 -1.03 0.00 0.00 54.13 53.09 1kgp s LEU 220 Cb 0.20 -2.78 0.01 0.00 0.03 0.00 0.00 46.19 43.65 1kgp s LEU 220 CO 0.46 -1.06 1.13 -0.94 0.23 0.00 0.00 176.35 176.17 1kgp s SER 221 N -4.42 4.93 0.40 2.29 1.04 -1.26 -4.75 113.70 111.94 1kgp s SER 221 Ca 0.57 2.06 0.14 0.00 0.48 0.00 0.00 55.95 59.20 1kgp s SER 221 Cb -0.10 -2.56 0.99 0.00 0.10 0.00 0.00 66.02 64.45 1kgp s SER 221 CO 0.37 -1.75 1.86 -0.33 0.98 0.00 0.00 173.24 174.37 1kgp h GLU 222 N -0.04 0.49 -0.13 4.02 5.08 -1.98 0.13 114.58 122.14 1kgp h GLU 222 Ca -0.47 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 1kgp h GLU 222 Cb 1.25 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1kgp h GLU 222 CO 0.53 0.32 0.02 0.00 -1.00 0.00 0.00 179.01 178.89 1kgp h ALA 223 N 1.62 0.18 -0.54 3.43 0.00 -2.00 -2.05 119.26 119.89 1kgp h ALA 223 Ca 0.46 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1kgp h ALA 223 Cb 1.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1kgp h ALA 223 CO -0.19 -0.17 0.19 0.93 0.00 0.00 0.00 179.25 180.00 1kgp h GLU 224 N 0.01 0.83 -1.01 0.00 5.08 -1.54 -2.04 114.58 115.91 1kgp h GLU 224 Ca 0.04 -0.17 0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1kgp h GLU 224 Cb 0.29 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.34 1kgp h GLU 224 CO 0.00 0.75 0.65 1.96 -1.00 0.00 0.00 179.01 181.37 1kgp h GLN 225 N 0.74 1.15 -0.07 2.33 4.20 -0.97 -0.51 115.11 121.98 1kgp h GLN 225 Ca 0.18 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.72 1kgp h GLN 225 Cb 0.25 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1kgp h GLN 225 CO -0.01 0.76 -0.42 0.93 -0.67 0.00 0.00 178.83 179.43 1kgp h GLU 226 N 1.18 0.16 -0.25 1.46 4.39 -1.01 -1.92 114.58 118.59 1kgp h GLU 226 Ca 0.43 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.90 1kgp h GLU 226 Cb 0.16 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1kgp h GLU 226 CO -0.17 0.55 -0.49 0.93 -1.16 0.00 0.00 179.01 178.67 1kgp h GLU 227 N 0.13 0.68 -0.16 2.33 5.08 -0.44 -1.76 114.58 120.44 1kgp h GLU 227 Ca 0.01 -0.39 -0.12 0.00 -1.00 0.00 0.00 59.36 57.85 1kgp h GLU 227 Cb 0.80 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1kgp h GLU 227 CO 0.06 1.01 -0.42 1.88 -1.00 0.00 0.00 179.01 180.54 1kgp h TYR 228 N 0.53 0.46 0.03 4.33 0.05 -0.92 -0.94 116.97 120.51 1kgp h TYR 228 Ca 0.03 -0.13 -0.00 0.00 0.05 0.00 0.00 58.73 58.67 1kgp h TYR 228 Cb 1.04 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.68 1kgp h TYR 228 CO 0.05 0.75 -0.02 -0.22 -1.05 0.00 0.00 178.16 177.67 1kgp h LYS 229 N 0.32 -0.04 -0.38 4.88 3.64 -1.24 0.11 116.57 123.85 1kgp h LYS 229 Ca 0.03 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1kgp h LYS 229 Cb 0.88 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.66 1kgp h LYS 229 CO 0.07 0.22 0.05 0.00 -2.27 0.00 0.00 179.45 177.53 1kgp h ALA 230 N 0.64 0.39 -0.45 5.00 0.00 -1.21 -1.54 119.26 122.09 1kgp h ALA 230 Ca -0.00 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1kgp h ALA 230 Cb 0.29 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1kgp h ALA 230 CO 0.01 -0.35 0.08 -0.92 0.00 0.00 0.00 179.25 178.07 1kgp h TYR 231 N 0.17 0.12 -0.32 0.00 3.20 -1.00 -1.52 116.97 117.62 1kgp h TYR 231 Ca 0.19 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 1kgp h TYR 231 Cb 0.23 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1kgp h TYR 231 CO -0.21 -0.01 0.19 1.15 -1.64 0.00 0.00 178.16 177.64 1kgp h THR 232 N 0.21 1.12 -0.55 1.81 2.02 -0.23 -1.73 112.91 115.55 1kgp h THR 232 Ca 0.22 -0.30 -0.07 0.00 0.77 0.00 0.00 66.41 67.03 1kgp h THR 232 Cb 0.29 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1kgp h THR 232 CO -0.30 0.12 0.06 -0.26 0.37 0.00 0.00 175.52 175.51 1kgp h PHE 233 N 0.41 0.95 -0.53 3.16 0.04 -1.08 -1.56 116.94 118.34 1kgp h PHE 233 Ca 0.12 -0.12 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1kgp h PHE 233 Cb 0.03 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 37.90 1kgp h PHE 233 CO -0.04 0.83 -0.00 -0.44 -0.60 0.00 0.00 178.31 178.06 1kgp h ASP 234 N 0.84 0.92 -0.30 2.17 3.32 -1.04 -1.82 116.42 120.51 1kgp h ASP 234 Ca 0.17 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 1kgp h ASP 234 Cb 0.42 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1kgp h ASP 234 CO 0.01 1.01 -0.01 0.25 -1.72 0.00 0.00 179.24 178.79 1kgp h LEU 235 N 0.81 0.52 -0.65 1.55 5.85 -1.16 -1.54 115.31 120.69 1kgp h LEU 235 Ca 0.15 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 58.63 1kgp h LEU 235 Cb 0.54 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 1kgp h LEU 235 CO 0.03 0.71 0.33 -0.03 -0.34 0.00 0.00 178.44 179.14 1kgp h MET 236 N 0.32 0.59 -0.37 1.25 4.05 -1.23 0.54 114.93 120.09 1kgp h MET 236 Ca 0.08 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.45 1kgp h MET 236 Cb 0.44 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 1kgp h MET 236 CO 0.02 0.39 0.16 -0.92 0.23 0.00 0.00 176.91 176.79 1kgp h TYR 237 N 0.61 0.55 -0.22 1.39 5.03 -1.11 0.96 116.97 124.17 1kgp h TYR 237 Ca 0.30 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.58 1kgp h TYR 237 Cb 0.25 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.35 1kgp h TYR 237 CO -0.10 0.48 0.14 -0.44 -1.32 0.00 0.00 178.16 176.92 1kgp h ASP 238 N 0.45 0.26 -0.67 -2.11 5.19 -0.66 -0.46 116.42 118.42 1kgp h ASP 238 Ca 0.13 -0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.45 1kgp h ASP 238 Cb 0.15 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.57 1kgp h ASP 238 CO -0.01 0.21 0.20 -0.07 -3.12 0.00 0.00 179.24 176.45 1kgp h LEU 239 N 0.28 0.98 -0.07 1.55 3.38 -0.77 -2.24 115.31 118.42 1kgp h LEU 239 Ca 0.08 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.86 1kgp h LEU 239 Cb -0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1kgp h LEU 239 CO -0.02 0.94 -0.07 0.22 0.09 0.00 0.00 178.44 179.61 1kgp h TYR 240 N 0.98 -0.16 -0.58 1.13 3.20 -0.54 0.17 116.97 121.17 1kgp h TYR 240 Ca 0.21 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.17 1kgp h TYR 240 Cb 0.31 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.60 1kgp h TYR 240 CO 0.02 -0.10 0.25 1.49 -1.64 0.00 0.00 178.16 178.18 1kgp h GLU 241 N -0.08 0.44 -0.35 1.82 4.81 -0.89 -0.85 114.58 119.48 1kgp h GLU 241 Ca 0.05 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 1kgp h GLU 241 Cb 0.16 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1kgp h GLU 241 CO -0.12 0.29 -0.21 -0.97 -0.73 0.00 0.00 179.01 177.27 1kgp h ASN 242 N 0.46 0.69 0.23 1.04 -1.24 -0.99 -2.81 115.58 112.95 1kgp h ASN 242 Ca 0.28 -0.24 -0.06 0.00 0.71 0.00 0.00 56.30 56.99 1kgp h ASN 242 Cb 0.29 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.14 1kgp h ASN 242 CO -0.25 0.90 -0.27 -0.08 -1.29 0.00 0.00 177.43 176.43 1kgp h GLU 243 N 0.60 0.08 -0.13 6.67 4.57 0.19 -1.67 114.58 124.90 1kgp h GLU 243 Ca 0.09 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1kgp h GLU 243 Cb 0.69 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1kgp h GLU 243 CO 0.05 0.35 0.02 0.82 -1.18 0.00 0.00 179.01 179.07 1kgp h ILE 244 N 0.08 1.23 -0.79 2.32 1.08 -0.93 0.13 117.51 120.62 1kgp h ILE 244 Ca 0.01 -0.73 -0.01 0.00 -0.39 0.00 0.00 64.86 63.75 1kgp h ILE 244 Cb 0.53 1.47 -0.04 0.00 -3.07 0.00 0.00 36.82 35.70 1kgp h ILE 244 CO 0.04 0.21 0.46 -0.08 -0.69 0.00 0.00 178.15 178.09 1kgp h GLU 245 N -0.02 1.09 -0.51 2.37 4.81 -1.37 -0.79 114.58 120.16 1kgp h GLU 245 Ca 0.04 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1kgp h GLU 245 Cb 0.31 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1kgp h GLU 245 CO 0.00 0.78 0.25 -0.92 -0.73 0.00 0.00 179.01 178.39 1kgp h TYR 246 N 1.09 0.73 -0.31 0.92 3.20 -1.16 -2.66 116.97 118.79 1kgp h TYR 246 Ca 0.28 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 1kgp h TYR 246 Cb -0.02 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 1kgp h TYR 246 CO -0.00 0.57 0.03 1.15 -1.64 0.00 0.00 178.16 178.28 1kgp h THR 247 N 0.68 1.24 -0.56 1.81 2.02 -0.51 -2.50 112.91 115.09 1kgp h THR 247 Ca 0.18 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1kgp h THR 247 Cb 0.12 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1kgp h THR 247 CO -0.02 0.28 0.35 -0.33 0.37 0.00 0.00 175.52 176.17 1kgp h GLU 248 N 0.33 0.75 -0.12 6.66 5.08 -1.13 0.20 114.58 126.34 1kgp h GLU 248 Ca 0.09 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1kgp h GLU 248 Cb 0.37 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1kgp h GLU 248 CO 0.01 0.52 0.08 -0.44 -1.00 0.00 0.00 179.01 178.18 1kgp h ASP 249 N 0.76 0.12 0.19 1.42 5.19 -1.36 0.86 116.42 123.59 1kgp h ASP 249 Ca 0.20 -0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.26 1kgp h ASP 249 Cb -0.05 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.42 1kgp h ASP 249 CO -0.04 0.08 -1.91 0.40 -3.12 0.00 0.00 179.24 174.66 1kgp h ILE 250 N 0.14 0.73 0.00 0.35 1.08 -0.92 -3.43 117.51 115.46 1kgp h ILE 250 Ca 0.05 -2.43 0.00 0.00 -0.39 0.00 0.00 64.86 62.09 1kgp h ILE 250 Cb 0.02 2.56 0.00 0.00 -3.07 0.00 0.00 36.82 36.34 1kgp h ILE 250 CO -0.01 0.86 -1.63 -1.22 -0.69 0.00 0.00 178.15 175.46 1kgp n TYR 251 N -3.46 0.00 -0.26 1.37 4.01 0.63 -4.64 117.16 114.81 1kgp n TYR 251 Ca -0.28 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.52 1kgp n TYR 251 Cb 1.05 -0.33 0.20 0.00 -0.31 0.00 0.00 39.34 39.95 1kgp n TYR 251 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1kgp h ASP 252 N 0.00 0.17 -0.50 7.72 3.32 -0.99 0.46 116.42 126.61 1kgp h ASP 252 Ca 0.00 0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.19 1kgp h ASP 252 Cb 0.72 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.38 1kgp h ASP 252 CO 0.00 0.03 0.32 -0.78 -1.72 0.00 0.00 179.24 177.09 1kgp h ASP 253 N 0.36 0.54 0.85 6.45 3.58 -1.82 -1.86 116.42 124.52 1kgp h ASP 253 Ca 0.43 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.78 1kgp h ASP 253 Cb 0.71 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 1kgp h ASP 253 CO -0.46 0.39 -0.41 -0.07 -2.88 0.00 0.00 179.24 175.80 1kgp h LEU 254 N 0.64 0.00 0.00 2.28 3.38 -1.46 -3.47 115.31 116.69 1kgp h LEU 254 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1kgp h LEU 254 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1kgp h LEU 254 CO -0.06 0.41 0.00 0.61 0.09 0.00 0.00 178.44 179.50 1kgp n GLY 255 N 0.29 0.59 0.12 0.83 0.00 0.15 -4.96 105.19 102.20 1kgp n GLY 255 Ca -0.00 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.48 1kgp n GLY 255 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1kgp n TRP 256 N -2.68 0.00 -0.32 1.61 8.01 -1.11 -4.62 117.44 118.32 1kgp n TRP 256 Ca 0.00 0.00 0.09 0.00 -1.31 0.00 0.00 57.50 56.28 1kgp n TRP 256 Cb 0.00 -0.10 0.19 0.00 -2.01 0.00 0.00 31.31 29.40 1kgp n TRP 256 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.69 179.09 1kgp n THR 257 N -1.14 -0.38 -0.08 -0.99 -1.04 -1.26 -2.09 114.28 107.30 1kgp n THR 257 Ca 0.07 2.04 -0.07 0.00 -2.04 0.00 0.00 64.05 64.05 1kgp n THR 257 Cb 0.36 -2.90 -0.00 0.00 -1.82 0.00 0.00 70.33 65.97 1kgp n THR 257 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1kgp h GLU 258 N 0.00 0.09 0.00 -2.82 4.57 -1.96 -1.39 114.58 113.07 1kgp h GLU 258 Ca 0.49 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.58 1kgp h GLU 258 Cb 0.89 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 1kgp h GLU 258 CO -0.90 0.06 -0.42 0.22 -1.18 0.00 0.00 179.01 176.80 1kgp h ASP 259 N 0.10 0.00 -0.38 1.04 3.58 -1.78 -2.97 116.42 116.00 1kgp h ASP 259 Ca 0.14 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.44 1kgp h ASP 259 Cb 0.18 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1kgp h ASP 259 CO -0.23 0.42 -0.36 0.58 -2.88 0.00 0.00 179.24 176.77 1kgp h VAL 260 N 0.00 1.27 -0.74 2.25 2.07 -1.19 -2.37 116.25 117.54 1kgp h VAL 260 Ca -0.00 -1.53 0.02 0.00 0.82 0.00 0.00 66.70 66.00 1kgp h VAL 260 Cb 1.00 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 1kgp h VAL 260 CO 0.05 0.51 0.49 0.11 0.02 0.00 0.00 177.57 178.76 1kgp h LYS 261 N 0.74 0.94 -0.26 1.57 1.57 -1.12 0.33 116.57 120.35 1kgp h LYS 261 Ca 0.06 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1kgp h LYS 261 Cb 0.96 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1kgp h LYS 261 CO 0.09 0.62 -0.27 0.00 -0.57 0.00 0.00 179.45 179.33 1kgp h ARG 262 N 0.97 0.51 -0.36 3.15 3.08 -1.38 -2.00 114.38 118.36 1kgp h ARG 262 Ca 0.28 -0.20 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 1kgp h ARG 262 Cb -0.06 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1kgp h ARG 262 CO -0.07 0.74 -0.14 0.35 -1.07 0.00 0.00 179.97 179.78 1kgp h PHE 263 N 0.45 0.70 -0.15 3.04 -0.00 -0.58 -1.56 116.94 118.85 1kgp h PHE 263 Ca 0.06 -0.13 -0.02 0.00 -0.00 0.00 0.00 57.97 57.88 1kgp h PHE 263 Cb 0.70 -0.18 -0.01 0.00 -0.00 0.00 0.00 35.95 36.47 1kgp h PHE 263 CO 0.02 0.75 0.00 -0.07 -0.00 0.00 0.00 178.31 179.02 1kgp h LEU 264 N 0.58 0.25 -0.94 0.59 3.38 -0.55 -2.11 115.31 116.52 1kgp h LEU 264 Ca 0.10 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1kgp h LEU 264 Cb 0.58 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1kgp h LEU 264 CO 0.04 0.49 0.31 0.03 0.09 0.00 0.00 178.44 179.40 1kgp h ARG 265 N 0.00 1.07 -0.77 1.13 3.08 -1.27 0.02 114.38 117.64 1kgp h ARG 265 Ca 0.04 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1kgp h ARG 265 Cb 0.36 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1kgp h ARG 265 CO 0.01 0.86 0.48 -0.92 -1.07 0.00 0.00 179.97 179.33 1kgp h TYR 266 N 1.06 0.99 0.00 3.04 3.20 -1.15 -2.04 116.97 122.07 1kgp h TYR 266 Ca 0.25 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.02 1kgp h TYR 266 Cb 0.18 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 1kgp h TYR 266 CO 0.02 0.65 -0.56 -0.91 -1.64 0.00 0.00 178.16 175.72 1kgp h ASN 267 N 1.05 0.00 -0.52 -2.11 2.35 -1.02 -2.93 115.58 112.39 1kgp h ASN 267 Ca 0.28 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.00 1kgp h ASN 267 Cb -0.07 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1kgp h ASN 267 CO -0.06 0.51 0.20 0.00 -1.65 0.00 0.00 177.43 176.44 1kgp h ALA 268 N 1.49 0.68 -0.55 -0.83 0.00 -0.74 0.93 119.26 120.24 1kgp h ALA 268 Ca -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1kgp h ALA 268 Cb 1.40 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1kgp h ALA 268 CO 0.06 0.30 0.31 -0.91 0.00 0.00 0.00 179.25 179.01 1kgp h ASN 269 N 0.71 0.68 -0.56 0.00 4.21 -1.34 -1.54 115.58 117.73 1kgp h ASN 269 Ca 0.17 -0.09 -0.04 0.00 1.21 0.00 0.00 56.30 57.55 1kgp h ASN 269 Cb 0.21 -0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 37.21 1kgp h ASN 269 CO -0.01 0.57 0.21 0.11 -1.29 0.00 0.00 177.43 177.02 1kgp h LYS 270 N 0.74 0.90 0.01 0.81 1.57 -1.27 -0.24 116.57 119.09 1kgp h LYS 270 Ca 0.19 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1kgp h LYS 270 Cb 0.04 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1kgp h LYS 270 CO -0.03 0.76 -0.01 0.00 -0.57 0.00 0.00 179.45 179.60 1kgp h ALA 271 N 1.35 -0.01 -0.70 3.86 0.00 -0.27 -0.86 119.26 122.62 1kgp h ALA 271 Ca 0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1kgp h ALA 271 Cb 0.23 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1kgp h ALA 271 CO -0.01 -0.49 0.33 -0.07 0.00 0.00 0.00 179.25 179.01 1kgp h LEU 272 N -0.05 0.92 -0.62 0.00 3.38 -0.97 -2.02 115.31 115.94 1kgp h LEU 272 Ca -0.00 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1kgp h LEU 272 Cb 0.05 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1kgp h LEU 272 CO 0.00 0.79 0.36 0.78 0.09 0.00 0.00 178.44 180.46 1kgp h ASN 273 N 0.97 0.55 -0.10 -0.43 -0.26 -0.79 -0.08 115.58 115.44 1kgp h ASN 273 Ca 0.24 0.02 0.03 0.00 -0.56 0.00 0.00 56.30 56.03 1kgp h ASN 273 Cb 0.12 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 37.29 1kgp h ASN 273 CO -0.03 0.37 0.08 0.78 -1.06 0.00 0.00 177.43 177.58 1kgp h ASN 274 N 0.68 0.00 -0.06 5.81 2.35 -0.44 0.83 115.58 124.75 1kgp h ASN 274 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1kgp h ASN 274 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1kgp h ASN 274 CO -0.14 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.82 1kgp n LEU 275 N -4.14 1.51 0.00 1.61 4.77 -0.19 -3.65 117.00 116.91 1kgp n LEU 275 Ca -0.01 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 1kgp n LEU 275 Cb 0.19 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1kgp n LEU 275 CO 0.31 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1kgp n GLY 276 N 1.16 0.71 3.56 -0.72 0.00 0.29 -4.64 105.19 105.55 1kgp n GLY 276 Ca 0.18 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 1kgp n GLY 276 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kgp s TYR 277 N -2.00 2.43 0.57 1.61 2.02 -0.37 -4.99 117.35 116.62 1kgp s TYR 277 Ca 0.00 -0.49 -0.15 0.00 -0.37 0.00 0.00 57.07 56.06 1kgp s TYR 277 Cb 0.00 -1.41 -0.05 0.00 -0.40 0.00 0.00 41.96 40.10 1kgp s TYR 277 CO 0.00 0.56 1.03 -1.83 -1.57 0.00 0.00 175.55 173.74 1kgp s GLU 278 N -3.63 3.54 0.90 -0.62 1.03 -1.26 -2.85 118.70 115.81 1kgp s GLU 278 Ca 0.33 1.07 -0.10 0.00 0.03 0.00 0.00 54.97 56.30 1kgp s GLU 278 Cb 0.02 -2.07 0.14 0.00 -0.80 0.00 0.00 34.13 31.42 1kgp s GLU 278 CO 0.17 -0.62 1.14 0.20 -1.33 0.00 0.00 175.26 174.82 1kgp s GLY 279 N -3.05 1.69 -0.01 -3.83 0.00 -1.26 -4.75 107.32 96.12 1kgp s GLY 279 Ca 0.61 0.55 0.21 0.00 0.00 0.00 0.00 44.72 46.09 1kgp s GLY 279 CO 0.37 0.97 0.81 -0.10 0.00 0.00 0.00 173.10 175.15 1kgp n LEU 280 N -4.18 0.79 -4.31 0.66 7.94 -1.26 -4.94 117.00 111.71 1kgp n LEU 280 Ca 0.11 -0.40 -0.31 0.00 -1.11 0.00 0.00 56.01 54.31 1kgp n LEU 280 Cb 0.52 -0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.31 1kgp n LEU 280 CO 0.50 0.20 -0.57 -0.36 -1.11 0.00 0.00 177.39 176.05 1kgp s PHE 281 N -3.11 2.31 0.42 1.96 0.08 -1.26 -5.12 117.98 113.27 1kgp s PHE 281 Ca 0.05 -0.43 -0.25 0.00 0.12 0.00 0.00 56.93 56.42 1kgp s PHE 281 Cb 0.16 -1.48 -0.08 0.00 -0.57 0.00 0.00 43.02 41.05 1kgp s PHE 281 CO 0.88 -0.02 1.20 -1.25 -0.10 0.00 0.00 175.22 175.93 1kgp s PRO 282 N -0.67 3.92 0.35 0.24 0.04 -1.26 -4.90 135.00 132.72 1kgp s PRO 282 Ca 0.10 1.90 0.14 0.00 0.04 0.00 0.00 61.00 63.18 1kgp s PRO 282 Cb -0.10 -2.61 1.01 0.00 0.04 0.00 0.00 34.50 32.84 1kgp s PRO 282 CO -0.01 -0.45 1.72 1.15 0.04 0.00 0.00 177.00 179.45 1kgp h THR 283 N 2.20 0.46 0.00 1.26 2.02 -1.99 0.24 112.91 117.10 1kgp h THR 283 Ca -0.49 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1kgp h THR 283 Cb 1.24 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1kgp h THR 283 CO 0.62 0.08 0.00 -0.90 0.37 0.00 0.00 175.52 175.69 1kgp n ASP 284 N -4.85 0.00 -0.89 4.18 5.68 -1.26 -1.09 116.55 118.32 1kgp n ASP 284 Ca 0.28 0.40 0.10 0.00 -0.50 0.00 0.00 54.79 55.07 1kgp n ASP 284 Cb 0.86 -0.43 0.14 0.00 -1.14 0.00 0.00 41.12 40.55 1kgp n ASP 284 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1kgp n GLU 285 N -1.43 2.04 -0.16 0.11 1.02 0.86 -4.39 120.64 118.69 1kgp n GLU 285 Ca 0.02 -1.91 0.09 0.00 -0.02 0.00 0.00 57.16 55.34 1kgp n GLU 285 Cb 0.06 -1.41 0.17 0.00 -0.02 0.00 0.00 31.44 30.24 1kgp n GLU 285 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1kgp n THR 286 N 1.16 1.97 -2.17 2.62 -2.24 -0.25 -4.68 114.28 110.70 1kgp n THR 286 Ca 0.14 -2.15 -0.31 0.00 -2.27 0.00 0.00 64.05 59.46 1kgp n THR 286 Cb 0.51 -0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 68.46 1kgp n THR 286 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1kgp s LYS 287 N -2.83 2.78 0.16 -0.78 -0.14 -1.25 -4.68 119.74 113.00 1kgp s LYS 287 Ca 0.34 -1.21 -0.22 0.00 -1.36 0.00 0.00 55.97 53.52 1kgp s LYS 287 Cb 0.29 -5.28 -0.08 0.00 -1.68 0.00 0.00 37.83 31.09 1kgp s LYS 287 CO 0.04 -3.59 0.70 0.54 -0.76 0.00 0.00 175.35 172.29 1kgp s VAL 288 N 9.63 4.53 0.31 3.17 0.11 -1.26 -4.98 120.40 131.91 1kgp s VAL 288 Ca 0.66 1.44 -0.26 0.00 -2.93 0.00 0.00 61.98 60.89 1kgp s VAL 288 Cb -0.01 -3.99 -0.14 0.00 -1.53 0.00 0.00 36.38 30.71 1kgp s VAL 288 CO 0.10 0.44 0.77 -1.54 -3.33 0.00 0.00 175.10 171.54 1kgp n SER 289 N 1.36 0.10 0.29 3.54 3.41 -1.26 -4.81 113.62 116.26 1kgp n SER 289 Ca -0.06 1.09 0.15 0.00 -0.26 0.00 0.00 58.87 59.79 1kgp n SER 289 Cb 0.50 -1.16 0.87 0.00 -0.26 0.00 0.00 64.21 64.15 1kgp n SER 289 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1kgp h PRO 290 N 1.41 0.00 -0.30 4.33 0.13 -1.99 -2.24 132.00 133.34 1kgp h PRO 290 Ca -0.37 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.67 1kgp h PRO 290 Cb 1.38 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.49 1kgp h PRO 290 CO 0.57 0.05 -0.17 0.00 -0.23 0.00 0.00 178.00 178.23 1kgp h ALA 291 N 1.95 1.16 0.15 -0.56 0.00 -1.97 0.99 119.26 120.97 1kgp h ALA 291 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1kgp h ALA 291 Cb 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1kgp h ALA 291 CO 0.01 0.53 -0.07 0.82 0.00 0.00 0.00 179.25 180.54 1kgp h ILE 292 N 0.48 1.00 0.00 0.00 1.08 -1.73 0.48 117.51 118.82 1kgp h ILE 292 Ca 0.08 -1.00 -0.02 0.00 -0.39 0.00 0.00 64.86 63.53 1kgp h ILE 292 Cb 0.57 1.58 -0.00 0.00 -3.07 0.00 0.00 36.82 35.89 1kgp h ILE 292 CO 0.04 0.22 -0.11 -0.07 -0.69 0.00 0.00 178.15 177.54 1kgp h LEU 293 N -0.71 0.00 -0.10 1.44 3.38 -1.51 -1.97 115.31 115.85 1kgp h LEU 293 Ca -0.02 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.71 1kgp h LEU 293 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1kgp h LEU 293 CO 0.03 0.11 -1.02 -1.28 0.09 0.00 0.00 178.44 176.37 1kgp h SER 294 N 0.00 0.48 0.56 -0.43 0.87 -0.68 -3.20 113.55 111.15 1kgp h SER 294 Ca -0.00 -0.42 -0.05 0.00 -1.23 0.00 0.00 61.79 60.08 1kgp h SER 294 Cb 0.30 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1kgp h SER 294 CO 0.01 1.25 -0.26 0.28 -0.53 0.00 0.00 176.83 177.58 1kgp h SER 295 N 0.18 0.00 -0.05 6.23 0.02 -0.13 -2.52 113.55 117.27 1kgp h SER 295 Ca -0.09 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.72 1kgp h SER 295 Cb 1.68 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.21 1kgp h SER 295 CO 0.17 0.26 -0.41 -0.07 -1.14 0.00 0.00 176.83 175.65 1kgp h LEU 296 N 0.00 0.61 -1.87 5.07 3.38 -1.49 -3.49 115.31 117.52 1kgp h LEU 296 Ca -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1kgp h LEU 296 Cb 0.61 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1kgp h LEU 296 CO 0.03 0.95 0.00 -1.54 0.09 0.00 0.00 178.44 177.97