#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 7.08 0.36 -3.46 0.01 -1.26 -4.89 114.94 112.79 1kgp s ASN 3 Ca 0.00 2.29 0.19 0.00 -0.71 0.00 0.00 52.86 54.63 1kgp s ASN 3 Cb 0.00 -2.61 1.04 0.00 0.41 0.00 0.00 41.25 40.08 1kgp s ASN 3 CO 0.00 -0.35 1.53 -0.08 -1.51 0.00 0.00 177.10 176.69 1kgp h GLU 4 N 4.82 0.00 -0.13 -0.60 4.81 -2.09 -0.87 114.58 120.52 1kgp h GLU 4 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1kgp h GLU 4 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1kgp h GLU 4 CO 0.72 0.00 0.00 2.48 -0.73 0.00 0.00 179.01 181.48 1kgp n TYR 5 N -2.24 0.17 -0.18 0.92 4.11 -1.26 -4.68 117.16 114.00 1kgp n TYR 5 Ca -0.01 -0.19 -0.05 0.00 -0.00 0.00 0.00 57.90 57.64 1kgp n TYR 5 Cb 0.20 -0.01 0.05 0.00 -0.00 0.00 0.00 39.34 39.58 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 1.97 0.47 -0.03 9.48 3.32 -1.53 -2.59 116.42 127.51 1kgp h ASP 6 Ca 0.00 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1kgp h ASP 6 Cb 0.54 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1kgp h ASP 6 CO 0.00 0.33 0.01 -0.08 -1.72 0.00 0.00 179.24 177.78 1kgp h GLU 7 N 0.59 0.04 -0.79 3.56 4.81 -1.83 -2.59 114.58 118.37 1kgp h GLU 7 Ca 0.22 -0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.58 1kgp h GLU 7 Cb 0.06 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.34 1kgp h GLU 7 CO -0.12 0.20 0.36 -0.92 -0.73 0.00 0.00 179.01 177.80 1kgp h TYR 8 N -0.12 0.62 0.00 0.92 3.20 -1.84 0.39 116.97 120.14 1kgp h TYR 8 Ca 0.01 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 1kgp h TYR 8 Cb 0.17 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1kgp h TYR 8 CO -0.02 0.12 -0.18 0.82 -1.64 0.00 0.00 178.16 177.26 1kgp h ILE 9 N 0.53 0.90 0.00 1.81 2.04 -1.32 -2.05 117.51 119.42 1kgp h ILE 9 Ca 0.43 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1kgp h ILE 9 Cb 0.62 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1kgp h ILE 9 CO -0.38 0.18 -0.73 0.00 0.00 0.00 0.00 178.15 177.23 1kgp h ALA 10 N 1.82 0.60 -0.08 1.87 0.00 -0.01 -3.27 119.26 120.19 1kgp h ALA 10 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kgp h ALA 10 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1kgp h ALA 10 CO 0.02 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.36 1kgp n ASN 11 N -2.54 2.02 -3.35 0.00 5.03 0.77 -4.52 115.26 112.68 1kgp n ASN 11 Ca 0.02 -1.69 -0.25 0.00 0.87 0.00 0.00 54.58 53.52 1kgp n ASN 11 Cb 0.51 -0.04 -0.09 0.00 -1.02 0.00 0.00 39.78 39.13 1kgp n ASN 11 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1kgp s HIS 12 N -1.91 0.81 0.12 3.10 3.76 -0.96 -4.99 115.29 115.22 1kgp s HIS 12 Ca 0.35 -2.09 -0.07 0.00 -0.15 0.00 0.00 55.06 53.09 1kgp s HIS 12 Cb 0.20 -0.80 -0.10 0.00 1.11 0.00 0.00 32.58 32.99 1kgp s HIS 12 CO 0.31 -0.87 1.31 1.15 -0.85 0.00 0.00 174.74 175.79 1kgp h THR 13 N 4.70 1.35 -3.91 1.30 2.02 -1.79 -3.46 112.91 113.12 1kgp h THR 13 Ca 0.23 -2.27 -0.55 0.00 0.77 0.00 0.00 66.41 64.59 1kgp h THR 13 Cb 0.93 2.28 0.13 0.00 -1.74 0.00 0.00 68.15 69.75 1kgp h THR 13 CO 0.33 0.69 0.60 0.47 0.37 0.00 0.00 175.52 177.98 1kgp n ASP 14 N -3.82 2.80 -4.77 4.18 8.00 -1.26 -4.95 116.55 116.74 1kgp n ASP 14 Ca -0.07 1.04 -0.33 0.00 0.71 0.00 0.00 54.79 56.14 1kgp n ASP 14 Cb 0.80 -1.57 0.05 0.00 -0.02 0.00 0.00 41.12 40.39 1kgp n ASP 14 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1kgp s PRO 15 N -2.63 2.77 -0.04 -0.24 0.04 -1.26 -4.99 135.00 128.66 1kgp s PRO 15 Ca 0.67 1.38 -0.26 0.00 0.04 0.00 0.00 61.00 62.83 1kgp s PRO 15 Cb -0.44 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 1kgp s PRO 15 CO 0.53 -1.27 0.79 0.08 0.04 0.00 0.00 177.00 177.18 1kgp s VAL 16 N -2.37 4.97 -0.07 -0.36 1.01 -1.26 -5.04 120.40 117.28 1kgp s VAL 16 Ca 0.67 1.65 -0.03 0.00 0.00 0.00 0.00 61.98 64.27 1kgp s VAL 16 Cb -0.20 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1kgp s VAL 16 CO 0.42 0.23 0.08 -0.54 0.00 0.00 0.00 175.10 175.29 1kgp s LYS 17 N 0.80 3.19 0.03 2.72 1.02 -1.26 -5.09 119.74 121.15 1kgp s LYS 17 Ca 0.42 -0.32 -0.20 0.00 0.02 0.00 0.00 55.97 55.89 1kgp s LYS 17 Cb -0.19 -2.97 -0.06 0.00 -0.52 0.00 0.00 37.83 34.09 1kgp s LYS 17 CO 0.22 0.71 0.57 0.00 -0.92 0.00 0.00 175.35 175.93 1kgp s ALA 18 N -1.04 3.54 0.36 5.17 0.00 -1.26 -5.02 121.76 123.51 1kgp s ALA 18 Ca 0.17 0.02 -0.28 0.00 0.00 0.00 0.00 51.96 51.87 1kgp s ALA 18 Cb -0.12 -2.68 -0.11 0.00 0.00 0.00 0.00 23.12 20.22 1kgp s ALA 18 CO 0.07 0.29 1.45 -1.50 0.00 0.00 0.00 175.76 176.07 1kgp s ILE 19 N -0.66 2.21 -0.28 0.00 2.07 -1.26 -4.99 121.20 118.29 1kgp s ILE 19 Ca 0.30 0.21 0.01 0.00 -1.41 0.00 0.00 60.65 59.76 1kgp s ILE 19 Cb -0.19 -3.13 0.08 0.00 0.13 0.00 0.00 42.46 39.35 1kgp s ILE 19 CO 0.18 0.05 0.01 0.21 -1.91 0.00 0.00 174.94 173.47 1kgp s ASN 20 N -0.18 4.20 0.00 4.50 3.84 -1.26 -4.98 114.94 121.05 1kgp s ASN 20 Ca 0.52 -1.59 0.23 0.00 0.21 0.00 0.00 52.86 52.24 1kgp s ASN 20 Cb -0.45 -1.26 1.38 0.00 -0.55 0.00 0.00 41.25 40.36 1kgp s ASN 20 CO 0.60 -0.32 1.84 0.79 -2.79 0.00 0.00 177.10 177.22 1kgp n TRP 21 N 4.57 0.00 0.74 0.43 7.02 -1.26 -2.99 117.44 125.95 1kgp n TRP 21 Ca -0.05 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.55 1kgp n TRP 21 Cb 0.43 0.00 0.22 0.00 -2.42 0.00 0.00 31.31 29.54 1kgp n TRP 21 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1kgp n ASN 22 N -0.89 0.59 -3.94 -0.99 5.15 -1.26 -4.63 115.26 109.29 1kgp n ASN 22 Ca 0.17 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.85 1kgp n ASN 22 Cb 0.08 0.18 -0.15 0.00 -0.53 0.00 0.00 39.78 39.35 1kgp n ASN 22 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1kgp s VAL 23 N -3.10 1.62 -0.34 3.44 1.01 -1.16 -5.10 120.40 116.77 1kgp s VAL 23 Ca 0.08 -1.41 -0.02 0.00 0.00 0.00 0.00 61.98 60.64 1kgp s VAL 23 Cb 0.15 -1.93 0.08 0.00 0.00 0.00 0.00 36.38 34.67 1kgp s VAL 23 CO 0.71 -0.21 0.08 -0.63 0.00 0.00 0.00 175.10 175.05 1kgp s ILE 24 N 1.33 3.03 0.29 2.22 -1.09 -1.26 -4.85 121.20 120.87 1kgp s ILE 24 Ca -0.03 -1.72 0.20 0.00 -2.23 0.00 0.00 60.65 56.87 1kgp s ILE 24 Cb -0.19 -2.91 0.17 0.00 -1.58 0.00 0.00 42.46 37.95 1kgp s ILE 24 CO -0.08 -0.37 1.86 1.55 -1.23 0.00 0.00 174.94 176.67 1kgp h PRO 25 N 7.98 0.00 -3.49 2.79 0.13 -1.98 -3.39 132.00 134.04 1kgp h PRO 25 Ca -0.16 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.40 1kgp h PRO 25 Cb 1.05 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.78 1kgp h PRO 25 CO 0.59 0.29 -0.76 0.34 -0.23 0.00 0.00 178.00 178.23 1kgp s ASP 26 N -6.48 3.83 0.59 1.44 -1.08 -1.26 -5.00 116.67 108.71 1kgp s ASP 26 Ca -0.01 -1.48 0.29 0.00 -0.52 0.00 0.00 52.55 50.82 1kgp s ASP 26 Cb 0.12 -0.78 1.53 0.00 -1.46 0.00 0.00 42.92 42.33 1kgp s ASP 26 CO 0.67 -0.40 1.96 1.05 0.52 0.00 0.00 175.17 178.96 1kgp h GLU 27 N 8.14 0.00 -0.34 4.34 4.11 -2.02 -1.20 114.58 127.61 1kgp h GLU 27 Ca -0.15 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.28 1kgp h GLU 27 Cb 1.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1kgp h GLU 27 CO 0.45 0.00 0.19 -0.22 0.07 0.00 0.00 179.01 179.50 1kgp h LYS 28 N 0.00 0.46 -0.35 1.06 1.63 -1.97 -1.34 116.57 116.05 1kgp h LYS 28 Ca 0.17 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1kgp h LYS 28 Cb 0.96 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.48 1kgp h LYS 28 CO -0.00 0.34 0.20 -0.44 -3.45 0.00 0.00 179.45 176.10 1kgp h ASP 29 N 0.47 0.44 -0.44 4.20 3.32 -1.61 -0.03 116.42 122.76 1kgp h ASP 29 Ca 0.12 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1kgp h ASP 29 Cb 0.01 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1kgp h ASP 29 CO -0.02 0.39 0.01 0.25 -1.72 0.00 0.00 179.24 178.14 1kgp h LEU 30 N 0.45 0.76 -0.66 1.55 5.85 -1.56 0.50 115.31 122.20 1kgp h LEU 30 Ca 0.12 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.56 1kgp h LEU 30 Cb 0.04 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1kgp h LEU 30 CO -0.02 0.88 0.43 -0.33 -0.34 0.00 0.00 178.44 179.06 1kgp h GLU 31 N 0.63 0.84 -0.26 1.25 5.08 -0.99 -0.50 114.58 120.62 1kgp h GLU 31 Ca 0.13 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 1kgp h GLU 31 Cb 0.48 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1kgp h GLU 31 CO 0.02 0.56 -0.55 0.28 -1.00 0.00 0.00 179.01 178.31 1kgp h VAL 32 N 0.87 1.28 -0.44 3.13 2.07 -0.85 -1.88 116.25 120.43 1kgp h VAL 32 Ca 0.25 -1.74 0.03 0.00 0.82 0.00 0.00 66.70 66.06 1kgp h VAL 32 Cb -0.06 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1kgp h VAL 32 CO -0.07 0.56 0.24 -0.25 0.02 0.00 0.00 177.57 178.07 1kgp h TRP 33 N 0.61 0.44 -0.78 1.57 2.91 -0.63 -0.32 115.95 119.77 1kgp h TRP 33 Ca 0.01 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.02 1kgp h TRP 33 Cb 1.17 -0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 29.64 1kgp h TRP 33 CO 0.08 0.24 0.41 -0.44 -1.03 0.00 0.00 178.44 177.70 1kgp h ASP 34 N 0.48 0.99 0.05 2.65 3.32 -1.04 -0.64 116.42 122.23 1kgp h ASP 34 Ca 0.18 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1kgp h ASP 34 Cb 0.05 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1kgp h ASP 34 CO -0.11 0.82 -0.02 -0.09 -1.72 0.00 0.00 179.24 178.12 1kgp h ARG 35 N 1.09 -0.06 -0.29 3.56 2.43 -0.95 -1.35 114.38 118.81 1kgp h ARG 35 Ca 0.27 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 1kgp h ARG 35 Cb 0.07 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1kgp h ARG 35 CO -0.04 0.30 0.13 -0.07 -1.51 0.00 0.00 179.97 178.78 1kgp h LEU 36 N -0.44 0.38 -0.89 3.80 3.38 -1.01 -1.13 115.31 119.40 1kgp h LEU 36 Ca -0.01 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 1kgp h LEU 36 Cb 0.40 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1kgp h LEU 36 CO 0.01 0.41 -0.44 0.71 0.09 0.00 0.00 178.44 179.21 1kgp h THR 37 N 0.32 1.32 0.00 0.22 1.35 -1.19 -2.22 112.91 112.71 1kgp h THR 37 Ca 0.10 -1.60 -0.02 0.00 -0.55 0.00 0.00 66.41 64.34 1kgp h THR 37 Cb 0.13 1.74 -0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1kgp h THR 37 CO -0.01 0.48 -0.08 1.23 -0.25 0.00 0.00 175.52 176.88 1kgp h GLY 38 N 1.26 0.00 -2.44 5.82 0.00 -0.98 -2.86 103.07 103.87 1kgp h GLY 38 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1kgp h GLY 38 CO 0.07 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.31 1kgp n ASN 39 N -3.21 3.70 -4.71 0.19 5.03 -0.45 -4.99 115.26 110.81 1kgp n ASN 39 Ca 0.00 -2.34 -0.43 0.00 0.87 0.00 0.00 54.58 52.69 1kgp n ASN 39 Cb 0.35 -0.50 -0.01 0.00 -1.02 0.00 0.00 39.78 38.60 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 0.77 2.44 -3.63 3.10 7.35 -1.08 -5.00 117.46 121.40 1kgp n PHE 40 Ca 0.19 0.49 -0.10 0.00 -0.76 0.00 0.00 57.45 57.27 1kgp n PHE 40 Cb 0.70 -2.46 -0.03 0.00 0.35 0.00 0.00 39.48 38.04 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 -0.83 -0.26 0.02 -5.13 1.48 -1.26 -5.13 118.94 107.83 1kgp s TRP 41 Ca 0.58 -0.05 0.03 0.00 -1.06 0.00 0.00 56.10 55.60 1kgp s TRP 41 Cb -0.56 0.42 -0.01 0.00 -1.16 0.00 0.00 33.47 32.16 1kgp s TRP 41 CO 0.59 -0.86 -0.09 -0.51 -4.06 0.00 0.00 176.95 172.02 1kgp s LEU 42 N -2.83 2.11 0.65 -4.66 1.43 -1.26 -5.04 118.68 109.07 1kgp s LEU 42 Ca 0.06 -0.31 0.39 0.00 -1.03 0.00 0.00 54.13 53.24 1kgp s LEU 42 Cb -0.01 -0.39 2.16 0.00 0.03 0.00 0.00 46.19 47.98 1kgp s LEU 42 CO -0.07 0.01 2.28 1.55 0.23 0.00 0.00 176.35 180.35 1kgp h PRO 43 N 5.39 0.00 0.00 1.29 0.13 -1.96 -1.78 132.00 135.07 1kgp h PRO 43 Ca -0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1kgp h PRO 43 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1kgp h PRO 43 CO 0.46 0.00 -0.03 0.93 -0.23 0.00 0.00 178.00 179.14 1kgp h GLU 44 N 0.00 0.00 0.00 0.86 3.07 -1.98 -2.27 114.58 114.26 1kgp h GLU 44 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1kgp h GLU 44 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1kgp h GLU 44 CO -0.00 0.03 0.00 0.36 -1.40 0.00 0.00 179.01 178.00 1kgp n LYS 45 N -3.25 0.20 -3.82 2.33 2.85 -0.67 -4.67 118.16 111.13 1kgp n LYS 45 Ca -0.02 0.27 -0.35 0.00 -1.05 0.00 0.00 58.31 57.16 1kgp n LYS 45 Cb 0.18 -1.79 -0.10 0.00 -0.65 0.00 0.00 35.03 32.67 1kgp n LYS 45 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1kgp s ILE 46 N -3.17 5.02 -1.24 0.58 -1.09 -0.86 -5.02 121.20 115.43 1kgp s ILE 46 Ca 0.08 0.06 -0.18 0.00 -2.23 0.00 0.00 60.65 58.38 1kgp s ILE 46 Cb 0.12 -3.30 -0.01 0.00 -1.58 0.00 0.00 42.46 37.68 1kgp s ILE 46 CO 0.50 0.40 1.99 -0.81 -1.23 0.00 0.00 174.94 175.79 1kgp n PRO 47 N 3.95 2.52 0.28 2.79 -0.04 -1.26 -4.76 135.00 138.47 1kgp n PRO 47 Ca -0.16 -2.62 0.13 0.00 -0.04 0.00 0.00 63.50 60.81 1kgp n PRO 47 Cb 0.52 -3.33 0.81 0.00 -0.04 0.00 0.00 33.50 31.45 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 4.81 0.62 0.00 0.52 2.07 -1.90 -2.19 116.25 120.19 1kgp h VAL 48 Ca 0.46 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.76 1kgp h VAL 48 Cb 0.75 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1kgp h VAL 48 CO 1.70 0.05 -0.03 0.77 0.02 0.00 0.00 177.57 180.08 1kgp h SER 49 N 0.00 0.00 0.48 0.57 4.64 -1.93 0.78 113.55 118.09 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 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1kgp h SER 49 CO 0.01 0.03 0.00 0.59 -0.87 0.00 0.00 176.83 176.59 1kgp n ASN 50 N -3.45 0.03 -0.58 4.97 5.03 -0.82 -1.88 115.26 118.55 1kgp n ASN 50 Ca -0.02 0.51 0.13 0.00 0.87 0.00 0.00 54.58 56.07 1kgp n ASN 50 Cb 0.14 -0.52 0.41 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 -1.54 1.84 -0.31 6.41 8.00 0.27 -4.36 116.55 126.86 1kgp n ASP 51 Ca 0.03 -1.59 0.00 0.00 0.71 0.00 0.00 54.79 53.94 1kgp n ASP 51 Cb 0.16 0.01 0.13 0.00 -0.02 0.00 0.00 41.12 41.41 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 2.85 1.06 -0.30 0.53 2.04 -1.50 -1.08 117.51 121.12 1kgp h ILE 52 Ca 0.00 -0.33 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 1kgp h ILE 52 Cb 0.62 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1kgp h ILE 52 CO 0.00 0.18 -0.04 1.56 0.00 0.00 0.00 178.15 179.85 1kgp h GLN 53 N 0.97 0.55 0.00 2.37 4.20 -1.82 -2.44 115.11 118.94 1kgp h GLN 53 Ca 0.36 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 1kgp h GLN 53 Cb 0.14 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1kgp h GLN 53 CO -0.16 0.73 -0.28 0.66 -0.67 0.00 0.00 178.83 179.11 1kgp h SER 54 N 0.33 0.00 -0.13 1.46 4.64 -1.77 -2.58 113.55 115.50 1kgp h SER 54 Ca 0.08 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 1kgp h SER 54 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1kgp h SER 54 CO 0.02 0.28 -0.02 -0.25 -0.87 0.00 0.00 176.83 175.99 1kgp h TRP 55 N 0.00 0.27 0.00 4.77 2.91 -1.04 -2.40 115.95 120.46 1kgp h TRP 55 Ca -0.00 -0.05 -0.01 0.00 1.13 0.00 0.00 58.89 59.95 1kgp h TRP 55 Cb 0.70 -0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 29.29 1kgp h TRP 55 CO 0.00 0.52 -0.06 -0.91 -1.03 0.00 0.00 178.44 176.96 1kgp h ASN 56 N -0.06 0.00 1.38 2.65 2.35 -1.26 -2.05 115.58 118.60 1kgp h ASN 56 Ca 0.03 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 1kgp h ASN 56 Cb 0.43 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1kgp h ASN 56 CO 0.01 0.06 -0.57 0.50 -1.65 0.00 0.00 177.43 175.78 1kgp h LYS 57 N 0.00 0.00 -7.12 0.81 3.64 -1.20 -3.46 116.57 109.25 1kgp h LYS 57 Ca -0.00 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.84 1kgp h LYS 57 Cb 0.29 0.00 0.14 0.00 -0.41 0.00 0.00 32.23 32.24 1kgp h LYS 57 CO 0.01 0.57 0.48 -1.64 -2.27 0.00 0.00 179.45 176.60 1kgp s MET 58 N -2.96 2.67 0.68 1.90 -1.94 -0.77 -5.00 119.30 113.89 1kgp s MET 58 Ca 0.03 1.90 -0.11 0.00 -1.71 0.00 0.00 55.69 55.80 1kgp s MET 58 Cb 0.08 -1.88 0.00 0.00 2.01 0.00 0.00 34.83 35.04 1kgp s MET 58 CO 0.75 -1.46 1.06 0.95 -0.01 0.00 0.00 175.02 176.31 1kgp s THR 59 N -1.59 4.05 0.34 2.05 -4.23 -1.26 -4.81 115.64 110.19 1kgp s THR 59 Ca 0.79 0.69 0.08 0.00 -1.18 0.00 0.00 61.69 62.07 1kgp s THR 59 Cb -0.33 -3.43 0.32 0.00 1.34 0.00 0.00 72.50 70.40 1kgp s THR 59 CO 0.38 -0.85 1.86 -0.65 -0.54 0.00 0.00 174.62 174.82 1kgp h PRO 60 N -0.59 0.72 -0.66 3.99 0.11 -1.98 -0.36 132.00 133.24 1kgp h PRO 60 Ca -0.44 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1kgp h PRO 60 Cb 1.21 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 1kgp h PRO 60 CO 0.57 0.48 0.08 1.96 -0.21 0.00 0.00 178.00 180.88 1kgp h GLN 61 N 0.74 1.10 -0.25 1.05 7.50 -1.99 -1.39 115.11 121.87 1kgp h GLN 61 Ca 0.47 -0.31 -0.08 0.00 0.50 0.00 0.00 58.65 59.23 1kgp h GLN 61 Cb 0.71 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 28.11 1kgp h GLN 61 CO -0.23 1.02 -0.17 0.93 -1.50 0.00 0.00 178.83 178.88 1kgp h GLU 62 N 1.03 0.55 -0.76 1.46 5.08 -1.54 -2.01 114.58 118.40 1kgp h GLU 62 Ca 0.20 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1kgp h GLU 62 Cb 0.47 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1kgp h GLU 62 CO 0.02 0.84 0.37 1.96 -1.00 0.00 0.00 179.01 181.20 1kgp h GLN 63 N 0.27 1.09 -0.44 2.33 4.20 -1.03 -0.17 115.11 121.35 1kgp h GLN 63 Ca 0.05 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 1kgp h GLN 63 Cb 0.70 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 1kgp h GLN 63 CO 0.05 0.85 0.16 1.25 -0.67 0.00 0.00 178.83 180.46 1kgp h LEU 64 N 1.07 0.63 -0.69 1.46 5.85 -1.22 -1.44 115.31 120.97 1kgp h LEU 64 Ca 0.26 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1kgp h LEU 64 Cb 0.11 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1kgp h LEU 64 CO -0.03 0.65 0.20 0.00 -0.34 0.00 0.00 178.44 178.91 1kgp h ALA 65 N 1.01 0.91 -0.19 1.25 0.00 -1.10 -1.98 119.26 119.16 1kgp h ALA 65 Ca 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1kgp h ALA 65 Cb 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1kgp h ALA 65 CO -0.01 0.60 0.09 1.15 0.00 0.00 0.00 179.25 181.08 1kgp h THR 66 N 1.02 1.14 -0.73 0.00 2.02 -0.81 -0.56 112.91 114.99 1kgp h THR 66 Ca 0.22 -0.39 0.04 0.00 0.77 0.00 0.00 66.41 67.05 1kgp h THR 66 Cb 0.33 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 1kgp h THR 66 CO -0.00 0.13 0.45 0.24 0.37 0.00 0.00 175.52 176.71 1kgp h MET 67 N 0.17 0.84 -0.16 6.66 2.07 -1.10 -1.19 114.93 122.22 1kgp h MET 67 Ca 0.06 -0.05 -0.12 0.00 -2.07 0.00 0.00 59.70 57.52 1kgp h MET 67 Cb 0.13 -0.19 0.00 0.00 -1.87 0.00 0.00 31.60 29.67 1kgp h MET 67 CO -0.01 0.56 -0.37 0.00 1.07 0.00 0.00 176.91 178.16 1kgp h ARG 68 N 0.87 0.53 -0.46 1.72 3.08 -1.17 -2.12 114.38 116.83 1kgp h ARG 68 Ca 0.30 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1kgp h ARG 68 Cb 0.05 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1kgp h ARG 68 CO -0.12 0.97 0.24 0.28 -1.07 0.00 0.00 179.97 180.27 1kgp h VAL 69 N 0.17 1.17 -0.38 2.04 2.07 -0.99 -1.13 116.25 119.20 1kgp h VAL 69 Ca -0.00 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 1kgp h VAL 69 Cb 0.97 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1kgp h VAL 69 CO 0.08 0.19 -0.04 -0.26 0.02 0.00 0.00 177.57 177.56 1kgp h PHE 70 N 0.60 0.66 -0.21 1.57 -1.00 -1.24 -0.48 116.94 116.83 1kgp h PHE 70 Ca 0.16 -0.09 -0.14 0.00 2.81 0.00 0.00 57.97 60.71 1kgp h PHE 70 Cb 0.08 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.45 1kgp h PHE 70 CO -0.01 0.65 -0.47 1.15 -1.61 0.00 0.00 178.31 178.02 1kgp h THR 71 N 0.58 1.31 -0.72 -1.55 2.02 -1.04 -0.86 112.91 112.66 1kgp h THR 71 Ca 0.12 -1.67 -0.07 0.00 0.77 0.00 0.00 66.41 65.56 1kgp h THR 71 Cb 0.42 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 1kgp h THR 71 CO 0.02 0.52 0.18 1.23 0.37 0.00 0.00 175.52 177.84 1kgp h GLY 72 N 1.07 1.23 0.95 2.16 0.00 -0.57 -0.80 103.07 107.11 1kgp h GLY 72 Ca 0.03 -0.76 -0.05 0.00 0.00 0.00 0.00 47.33 46.54 1kgp h GLY 72 CO 0.09 0.71 0.05 1.41 0.00 0.00 0.00 176.54 178.80 1kgp h LEU 73 N 1.08 0.69 -0.58 3.11 3.38 -0.89 -2.13 115.31 119.97 1kgp h LEU 73 Ca 0.23 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.98 1kgp h LEU 73 Cb 0.36 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1kgp h LEU 73 CO 0.00 0.79 0.31 0.74 0.09 0.00 0.00 178.44 180.37 1kgp h THR 74 N 0.57 0.96 -0.37 0.22 2.02 -0.89 -0.10 112.91 115.33 1kgp h THR 74 Ca 0.13 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.11 1kgp h THR 74 Cb 0.40 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1kgp h THR 74 CO 0.01 0.11 0.24 0.25 0.37 0.00 0.00 175.52 176.50 1kgp h LEU 75 N 0.59 0.40 -0.92 2.58 5.85 -0.90 0.97 115.31 123.88 1kgp h LEU 75 Ca 0.26 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 1kgp h LEU 75 Cb 0.15 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1kgp h LEU 75 CO -0.17 0.29 0.14 -0.07 -0.34 0.00 0.00 178.44 178.29 1kgp h LEU 76 N 0.49 0.88 -0.60 2.25 3.38 -0.75 -2.03 115.31 118.93 1kgp h LEU 76 Ca 0.14 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1kgp h LEU 76 Cb -0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1kgp h LEU 76 CO -0.04 0.85 -0.40 0.44 0.09 0.00 0.00 178.44 179.38 1kgp h ASP 77 N 0.89 0.71 -0.62 -0.43 3.32 -0.60 -1.15 116.42 118.54 1kgp h ASP 77 Ca 0.19 -0.32 0.02 0.00 0.02 0.00 0.00 57.03 56.95 1kgp h ASP 77 Cb 0.33 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 1kgp h ASP 77 CO 0.00 1.02 0.39 0.74 -1.72 0.00 0.00 179.24 179.67 1kgp h THR 78 N 0.54 1.10 -0.15 0.35 2.02 -0.41 -0.87 112.91 115.50 1kgp h THR 78 Ca 0.05 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 1kgp h THR 78 Cb 0.93 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1kgp h THR 78 CO 0.08 0.14 -0.05 0.40 0.37 0.00 0.00 175.52 176.47 1kgp h ILE 79 N 0.77 1.30 -0.79 3.11 1.08 -1.15 -2.32 117.51 119.51 1kgp h ILE 79 Ca 0.24 -1.03 -0.01 0.00 -0.39 0.00 0.00 64.86 63.68 1kgp h ILE 79 Cb -0.01 1.66 -0.04 0.00 -3.07 0.00 0.00 36.82 35.36 1kgp h ILE 79 CO -0.09 0.30 0.47 -0.61 -0.69 0.00 0.00 178.15 177.54 1kgp h GLN 80 N -0.01 1.08 -0.04 2.37 5.75 -1.07 0.02 115.11 123.22 1kgp h GLN 80 Ca 0.04 -0.10 -0.22 0.00 -0.15 0.00 0.00 58.65 58.22 1kgp h GLN 80 Cb 0.49 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.82 1kgp h GLN 80 CO 0.02 0.77 -0.88 0.78 -2.65 0.00 0.00 178.83 176.86 1kgp h GLY 81 N 1.09 0.55 -0.45 2.39 0.00 -1.16 0.10 103.07 105.59 1kgp h GLY 81 Ca 0.28 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1kgp h GLY 81 CO -0.05 0.79 -0.59 -1.30 0.00 0.00 0.00 176.54 175.38 1kgp n THR 82 N -3.80 0.00 0.00 4.70 -2.24 -0.88 -4.62 114.28 107.44 1kgp n THR 82 Ca -0.07 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1kgp n THR 82 Cb 0.80 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 70.15 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 -0.70 0.00 0.00 2.28 0.31 -0.30 -4.87 118.33 115.04 1kgp n VAL 83 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1kgp n VAL 83 Cb 0.34 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 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 2.12 -2.02 0.31 2.92 0.00 -0.16 -1.53 105.19 106.84 1kgp n GLY 84 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.00 1.39 -0.40 4.61 0.00 -1.25 1.00 119.26 122.61 1kgp h ALA 85 Ca 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1kgp h ALA 85 Cb 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1kgp h ALA 85 CO 0.00 -0.25 0.05 0.82 0.00 0.00 0.00 179.25 179.87 1kgp h ILE 86 N 0.49 1.20 0.00 0.00 2.04 -1.78 -2.29 117.51 117.17 1kgp h ILE 86 Ca 0.53 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1kgp h ILE 86 Cb 0.92 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1kgp h ILE 86 CO -0.47 0.27 0.00 -1.54 0.00 0.00 0.00 178.15 176.42 1kgp n SER 87 N -4.29 0.48 0.14 1.72 3.41 0.33 -2.57 113.62 112.83 1kgp n SER 87 Ca 0.02 0.60 0.07 0.00 -0.26 0.00 0.00 58.87 59.30 1kgp n SER 87 Cb 0.23 -0.71 0.04 0.00 -0.26 0.00 0.00 64.21 63.52 1kgp n SER 87 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1kgp h LEU 88 N 0.00 0.00 -0.30 1.04 3.38 -1.17 -3.39 115.31 114.87 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 0.41 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.08 1kgp h LEU 88 CO 0.00 0.25 -0.31 -0.07 0.09 0.00 0.00 178.44 178.41 1kgp h LEU 89 N 0.00 -1.00 -1.99 1.67 -0.00 -1.53 -2.94 115.31 109.51 1kgp h LEU 89 Ca -0.03 0.17 0.20 0.00 -0.00 0.00 0.00 57.88 58.22 1kgp h LEU 89 Cb 1.22 0.46 -0.03 0.00 -0.00 0.00 0.00 40.66 42.31 1kgp h LEU 89 CO 0.03 -0.32 0.52 -0.65 -0.00 0.00 0.00 178.44 178.02 1kgp h PRO 90 N -0.29 0.00 -0.62 1.13 0.11 -1.80 -2.41 132.00 128.13 1kgp h PRO 90 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1kgp h PRO 90 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1kgp h PRO 90 CO -0.46 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.08 1kgp n ASP 91 N -4.23 4.22 -4.77 -2.05 9.92 -1.11 -5.01 116.55 113.51 1kgp n ASP 91 Ca 0.14 -2.26 -0.41 0.00 -0.53 0.00 0.00 54.79 51.73 1kgp n ASP 91 Cb 0.79 -0.50 -0.00 0.00 -0.64 0.00 0.00 41.12 40.76 1kgp n ASP 91 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kgp s ALA 92 N -1.49 3.46 0.17 2.24 0.00 -0.91 -4.93 121.76 120.30 1kgp s ALA 92 Ca 0.47 1.48 0.04 0.00 0.00 0.00 0.00 51.96 53.95 1kgp s ALA 92 Cb 0.28 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 19.82 1kgp s ALA 92 CO 0.26 -1.01 1.38 0.93 0.00 0.00 0.00 175.76 177.32 1kgp h GLU 93 N 2.88 0.12 -4.82 0.00 4.39 -1.94 -3.47 114.58 111.74 1kgp h GLU 93 Ca -0.50 -0.14 -0.27 0.00 0.34 0.00 0.00 59.36 58.79 1kgp h GLU 93 Cb 1.24 0.04 -0.15 0.00 -0.10 0.00 0.00 28.75 29.79 1kgp h GLU 93 CO 0.63 0.92 -0.70 0.95 -1.16 0.00 0.00 179.01 179.65 1kgp s THR 94 N -3.14 0.88 0.32 1.13 -4.23 -1.26 -5.03 115.64 104.30 1kgp s THR 94 Ca -0.02 -1.99 0.17 0.00 -1.18 0.00 0.00 61.69 58.68 1kgp s THR 94 Cb 0.10 -1.77 0.14 0.00 1.34 0.00 0.00 72.50 72.32 1kgp s THR 94 CO 0.82 -0.81 1.85 0.24 -0.54 0.00 0.00 174.62 176.18 1kgp h MET 95 N 2.88 0.00 0.00 3.99 2.86 -2.00 -2.54 114.93 120.12 1kgp h MET 95 Ca -0.36 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.18 1kgp h MET 95 Cb 1.18 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 1kgp h MET 95 CO 0.64 0.33 -0.49 0.45 1.06 0.00 0.00 176.91 178.90 1kgp h HIS 96 N 0.00 0.00 -0.61 -0.22 3.86 -1.96 -2.21 115.15 114.02 1kgp h HIS 96 Ca -0.00 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 1kgp h HIS 96 Cb 0.67 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.12 1kgp h HIS 96 CO 0.00 0.49 0.00 1.49 0.86 0.00 0.00 177.93 180.77 1kgp h GLU 97 N 0.00 1.07 -0.84 2.45 4.81 -1.83 -2.28 114.58 117.96 1kgp h GLU 97 Ca -0.00 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 58.87 1kgp h GLU 97 Cb 0.90 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.14 1kgp h GLU 97 CO 0.06 1.04 0.47 0.93 -0.73 0.00 0.00 179.01 180.79 1kgp h GLU 98 N 0.97 1.17 -0.59 1.92 5.08 -1.24 -1.97 114.58 119.93 1kgp h GLU 98 Ca 0.17 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1kgp h GLU 98 Cb 0.56 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1kgp h GLU 98 CO 0.03 0.85 0.39 0.00 -1.00 0.00 0.00 179.01 179.28 1kgp h ALA 99 N 1.25 0.74 -0.73 3.43 0.00 -1.15 -2.45 119.26 120.35 1kgp h ALA 99 Ca 0.30 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1kgp h ALA 99 Cb 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1kgp h ALA 99 CO -0.05 0.18 0.47 0.28 0.00 0.00 0.00 179.25 180.12 1kgp h VAL 100 N 0.79 1.12 -0.17 0.00 2.07 -1.00 -1.95 116.25 117.11 1kgp h VAL 100 Ca 0.22 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1kgp h VAL 100 Cb -0.09 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.79 1kgp h VAL 100 CO -0.05 0.17 -0.02 1.88 0.02 0.00 0.00 177.57 179.57 1kgp h TYR 101 N 0.92 0.25 -0.15 1.57 0.05 -0.92 -0.57 116.97 118.12 1kgp h TYR 101 Ca 0.29 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.97 1kgp h TYR 101 Cb -0.01 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 1kgp h TYR 101 CO -0.03 0.29 -0.29 1.79 -1.05 0.00 0.00 178.16 178.86 1kgp h THR 102 N 0.25 1.26 -0.18 -2.88 1.35 -0.94 -0.47 112.91 111.30 1kgp h THR 102 Ca 0.06 -1.23 -0.20 0.00 -0.55 0.00 0.00 66.41 64.49 1kgp h THR 102 Cb 0.21 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1kgp h THR 102 CO 0.01 0.37 -0.68 -1.13 -0.25 0.00 0.00 175.52 173.84 1kgp h ASN 103 N 0.25 0.82 -0.47 5.36 -0.73 -0.95 -2.57 115.58 117.29 1kgp h ASN 103 Ca 0.04 -0.50 -0.02 0.00 1.87 0.00 0.00 56.30 57.69 1kgp h ASN 103 Cb 0.64 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.97 1kgp h ASN 103 CO 0.05 1.27 0.23 0.40 -0.37 0.00 0.00 177.43 179.01 1kgp h ILE 104 N 0.51 1.18 -0.38 2.57 2.04 -0.81 -1.17 117.51 121.45 1kgp h ILE 104 Ca -0.02 -0.52 0.05 0.00 1.00 0.00 0.00 64.86 65.37 1kgp h ILE 104 Cb 1.28 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 1kgp h ILE 104 CO 0.14 0.20 0.12 0.00 0.00 0.00 0.00 178.15 178.60 1kgp h ALA 105 N 1.08 0.43 0.01 1.87 0.00 -1.06 -1.13 119.26 120.45 1kgp h ALA 105 Ca 0.16 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1kgp h ALA 105 Cb 0.11 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1kgp h ALA 105 CO -0.02 -0.28 -0.00 0.35 0.00 0.00 0.00 179.25 179.30 1kgp h PHE 106 N 0.26 -0.01 0.00 0.00 3.57 -1.25 -2.72 116.94 116.79 1kgp h PHE 106 Ca 0.18 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1kgp h PHE 106 Cb 0.17 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1kgp h PHE 106 CO -0.16 0.09 -0.14 0.52 -2.23 0.00 0.00 178.31 176.39 1kgp h MET 107 N -0.11 0.00 -0.29 1.11 2.86 -0.97 -0.76 114.93 116.78 1kgp h MET 107 Ca -0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1kgp h MET 107 Cb 0.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1kgp h MET 107 CO 0.00 0.14 -0.26 0.93 1.06 0.00 0.00 176.91 178.79 1kgp h GLU 108 N 0.00 0.56 -0.07 1.72 4.39 -1.03 0.23 114.58 120.38 1kgp h GLU 108 Ca -0.00 -0.22 -0.13 0.00 0.34 0.00 0.00 59.36 59.35 1kgp h GLU 108 Cb 0.31 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1kgp h GLU 108 CO 0.02 0.77 -0.53 0.77 -1.16 0.00 0.00 179.01 178.88 1kgp h SER 109 N 0.49 0.21 -0.43 1.42 0.02 -0.86 -1.54 113.55 112.86 1kgp h SER 109 Ca 0.07 -0.11 -0.13 0.00 -0.84 0.00 0.00 61.79 60.78 1kgp h SER 109 Cb 0.71 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1kgp h SER 109 CO 0.05 0.71 -0.23 0.58 -1.14 0.00 0.00 176.83 176.80 1kgp h VAL 110 N 0.15 1.27 -0.14 2.27 2.07 -0.79 -1.81 116.25 119.27 1kgp h VAL 110 Ca 0.00 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1kgp h VAL 110 Cb 0.99 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1kgp h VAL 110 CO 0.08 0.47 0.08 0.45 0.02 0.00 0.00 177.57 178.67 1kgp h HIS 111 N 0.75 0.15 -0.74 1.57 -0.00 -0.75 -0.42 115.15 115.72 1kgp h HIS 111 Ca 0.09 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.49 1kgp h HIS 111 Cb 0.80 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 28.12 1kgp h HIS 111 CO 0.06 0.09 0.48 0.00 -0.00 0.00 0.00 177.93 178.56 1kgp h ALA 112 N 1.06 0.95 0.00 2.45 0.00 -1.23 -1.89 119.26 120.60 1kgp h ALA 112 Ca 0.05 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1kgp h ALA 112 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1kgp h ALA 112 CO -0.02 0.31 -0.33 -0.22 0.00 0.00 0.00 179.25 178.98 1kgp h LYS 113 N 0.96 0.00 -0.77 0.00 3.64 -1.04 -3.00 116.57 116.36 1kgp h LYS 113 Ca 0.28 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.70 1kgp h LYS 113 Cb -0.05 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 1kgp h LYS 113 CO -0.08 0.33 0.50 0.77 -2.27 0.00 0.00 179.45 178.70 1kgp h SER 114 N 0.00 0.80 -0.13 4.20 0.02 -0.22 -1.31 113.55 116.91 1kgp h SER 114 Ca -0.00 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.80 1kgp h SER 114 Cb 0.63 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1kgp h SER 114 CO 0.04 0.54 -0.38 1.88 -1.14 0.00 0.00 176.83 177.78 1kgp h TYR 115 N 0.92 0.77 -0.09 3.45 0.05 -1.49 -2.29 116.97 118.30 1kgp h TYR 115 Ca 0.31 -0.22 -0.09 0.00 0.05 0.00 0.00 58.73 58.78 1kgp h TYR 115 Cb 0.07 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 1kgp h TYR 115 CO -0.00 0.93 -0.36 0.77 -1.05 0.00 0.00 178.16 178.45 1kgp h SER 116 N 0.54 0.18 -0.58 3.88 0.02 -1.35 -0.95 113.55 115.27 1kgp h SER 116 Ca 0.05 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 1kgp h SER 116 Cb 0.90 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 1kgp h SER 116 CO 0.08 0.53 -0.02 0.78 -1.14 0.00 0.00 176.83 177.06 1kgp h ASN 117 N 0.15 1.04 0.22 3.07 4.21 -0.95 -1.21 115.58 122.11 1kgp h ASN 117 Ca 0.02 -0.30 -0.01 0.00 1.21 0.00 0.00 56.30 57.21 1kgp h ASN 117 Cb 0.71 -0.28 0.00 0.00 -1.12 0.00 0.00 38.32 37.63 1kgp h ASN 117 CO 0.05 1.10 -0.11 0.40 -1.29 0.00 0.00 177.43 177.58 1kgp h ILE 118 N 0.96 0.86 -0.18 2.81 2.04 -1.05 -2.39 117.51 120.56 1kgp h ILE 118 Ca 0.17 -0.51 0.05 0.00 1.00 0.00 0.00 64.86 65.57 1kgp h ILE 118 Cb 0.58 1.15 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 1kgp h ILE 118 CO 0.03 0.11 -0.20 -0.26 0.00 0.00 0.00 178.15 177.84 1kgp h PHE 119 N -0.56 -0.51 0.00 1.37 0.04 -1.13 -0.33 116.94 115.82 1kgp h PHE 119 Ca -0.03 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1kgp h PHE 119 Cb 0.41 0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.81 1kgp h PHE 119 CO 0.01 -0.27 -0.00 0.52 -0.60 0.00 0.00 178.31 177.96 1kgp h MET 120 N -0.22 0.00 0.21 1.51 2.86 -1.24 0.26 114.93 118.32 1kgp h MET 120 Ca 0.12 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.41 1kgp h MET 120 Cb 0.40 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.08 1kgp h MET 120 CO -0.31 0.00 -1.62 1.15 1.06 0.00 0.00 176.91 177.20 1kgp h THR 121 N 0.00 1.08 0.01 2.22 2.02 -0.81 -3.42 112.91 114.01 1kgp h THR 121 Ca -0.00 -2.58 -0.41 0.00 0.77 0.00 0.00 66.41 64.20 1kgp h THR 121 Cb 0.01 2.88 -0.06 0.00 -1.74 0.00 0.00 68.15 69.23 1kgp h THR 121 CO 0.00 0.83 -2.42 0.18 0.37 0.00 0.00 175.52 174.48 1kgp n LEU 122 N -3.67 2.59 -4.94 2.58 4.77 -0.21 -4.97 117.00 113.16 1kgp n LEU 122 Ca -0.22 0.06 -0.24 0.00 -0.03 0.00 0.00 56.01 55.58 1kgp n LEU 122 Cb 1.07 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1kgp n LEU 122 CO 0.54 0.80 0.28 0.00 -1.33 0.00 0.00 177.39 177.68 1kgp s ALA 123 N -2.51 3.66 0.53 -1.18 0.00 0.90 -5.01 121.76 118.15 1kgp s ALA 123 Ca -0.35 -0.90 -0.10 0.00 0.00 0.00 0.00 51.96 50.60 1kgp s ALA 123 Cb 0.11 -2.22 -0.05 0.00 0.00 0.00 0.00 23.12 20.96 1kgp s ALA 123 CO 0.58 -0.26 0.92 -1.54 0.00 0.00 0.00 175.76 175.45 1kgp s SER 124 N -4.14 6.36 0.20 0.00 1.04 -1.26 -4.74 113.70 111.16 1kgp s SER 124 Ca 0.45 1.28 -0.11 0.00 0.48 0.00 0.00 55.95 58.05 1kgp s SER 124 Cb -0.10 -2.40 0.17 0.00 0.10 0.00 0.00 66.02 63.79 1kgp s SER 124 CO 0.39 -0.67 1.84 0.74 0.98 0.00 0.00 173.24 176.52 1kgp h THR 125 N 0.28 1.09 -0.62 2.02 2.02 -1.99 -1.07 112.91 114.65 1kgp h THR 125 Ca -0.46 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.41 1kgp h THR 125 Cb 1.19 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1kgp h THR 125 CO 0.62 0.15 0.24 -0.65 0.37 0.00 0.00 175.52 176.25 1kgp h PRO 126 N 0.82 0.90 -0.37 6.66 0.11 -1.99 0.12 132.00 138.26 1kgp h PRO 126 Ca 0.27 -0.15 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 1kgp h PRO 126 Cb 0.01 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 30.95 1kgp h PRO 126 CO -0.10 0.75 0.15 1.96 -0.21 0.00 0.00 178.00 180.54 1kgp h GLN 127 N 0.89 0.55 0.02 1.05 4.20 -1.74 -0.04 115.11 120.03 1kgp h GLN 127 Ca 0.21 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1kgp h GLN 127 Cb 0.19 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1kgp h GLN 127 CO -0.02 0.52 -0.01 0.82 -0.67 0.00 0.00 178.83 179.48 1kgp h ILE 128 N 0.45 1.04 -0.38 2.54 2.04 -0.69 -1.58 117.51 120.93 1kgp h ILE 128 Ca 0.12 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.84 1kgp h ILE 128 Cb 0.18 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1kgp h ILE 128 CO -0.01 0.05 0.16 0.78 0.00 0.00 0.00 178.15 179.12 1kgp h ASN 129 N -0.10 0.21 -0.41 1.72 2.35 -0.65 -2.12 115.58 116.58 1kgp h ASN 129 Ca -0.00 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1kgp h ASN 129 Cb 0.09 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1kgp h ASN 129 CO 0.00 0.16 0.20 -0.33 -1.65 0.00 0.00 177.43 175.82 1kgp h GLU 130 N 0.33 0.63 -0.24 0.81 5.08 -0.91 -2.25 114.58 118.05 1kgp h GLU 130 Ca 0.17 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1kgp h GLU 130 Cb 0.11 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1kgp h GLU 130 CO -0.14 0.50 0.03 0.00 -1.00 0.00 0.00 179.01 178.39 1kgp h ALA 131 N 1.60 0.32 -0.34 3.43 0.00 -0.66 -1.06 119.26 122.54 1kgp h ALA 131 Ca 0.16 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1kgp h ALA 131 Cb 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1kgp h ALA 131 CO -0.02 0.01 -0.18 0.74 0.00 0.00 0.00 179.25 179.80 1kgp h PHE 132 N 0.20 0.69 -0.20 0.00 0.04 -1.22 -1.80 116.94 114.65 1kgp h PHE 132 Ca 0.07 -0.13 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 1kgp h PHE 132 Cb 0.35 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 1kgp h PHE 132 CO 0.03 0.77 0.05 -0.09 -0.60 0.00 0.00 178.31 178.46 1kgp h ARG 133 N 0.56 0.31 -0.84 1.51 2.43 -1.34 -2.27 114.38 114.74 1kgp h ARG 133 Ca 0.09 -0.07 0.11 0.00 -0.81 0.00 0.00 59.98 59.30 1kgp h ARG 133 Cb 0.62 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.05 1kgp h ARG 133 CO 0.04 0.43 0.47 2.35 -1.51 0.00 0.00 179.97 181.75 1kgp h TRP 134 N 0.14 0.85 0.00 2.20 7.01 -0.94 -0.96 115.95 124.25 1kgp h TRP 134 Ca 0.06 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.04 1kgp h TRP 134 Cb 0.25 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.05 1kgp h TRP 134 CO 0.01 0.32 -0.24 0.66 -2.79 0.00 0.00 178.44 176.39 1kgp h SER 135 N 0.77 0.00 0.94 2.65 4.64 -1.05 0.12 113.55 121.61 1kgp h SER 135 Ca 0.42 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.56 1kgp h SER 135 Cb 0.43 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 1kgp h SER 135 CO -0.27 0.24 -0.83 -0.33 -0.87 0.00 0.00 176.83 174.77 1kgp h GLU 136 N 0.00 0.00 0.00 4.77 5.08 -0.63 -3.34 114.58 120.45 1kgp h GLU 136 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1kgp h GLU 136 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1kgp h GLU 136 CO 0.03 0.83 -1.39 0.39 -1.00 0.00 0.00 179.01 177.87 1kgp n GLU 137 N -3.46 0.34 -2.23 2.33 1.02 -0.67 -4.92 120.64 113.05 1kgp n GLU 137 Ca -0.00 -0.07 -0.43 0.00 -0.02 0.00 0.00 57.16 56.64 1kgp n GLU 137 Cb 0.82 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 30.68 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 -3.87 6.75 0.36 1.62 3.84 0.34 -4.90 114.94 119.07 1kgp s ASN 138 Ca 0.01 1.84 0.09 0.00 0.21 0.00 0.00 52.86 55.01 1kgp s ASN 138 Cb 0.15 -2.54 0.69 0.00 -0.55 0.00 0.00 41.25 39.00 1kgp s ASN 138 CO 0.87 -0.91 1.84 1.05 -2.79 0.00 0.00 177.10 177.15 1kgp h GLU 139 N 9.12 0.18 -0.10 0.43 9.09 -1.91 -2.08 114.58 129.32 1kgp h GLU 139 Ca -0.32 -0.06 -0.23 0.00 0.05 0.00 0.00 59.36 58.80 1kgp h GLU 139 Cb 1.14 -0.02 0.01 0.00 -1.65 0.00 0.00 28.75 28.23 1kgp h GLU 139 CO 0.97 0.43 -0.86 -0.91 0.05 0.00 0.00 179.01 178.70 1kgp h ASN 140 N 0.17 0.87 -0.31 3.06 2.35 -1.93 -1.16 115.58 118.64 1kgp h ASN 140 Ca 0.03 -0.61 -0.07 0.00 -0.55 0.00 0.00 56.30 55.10 1kgp h ASN 140 Cb 0.55 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1kgp h ASN 140 CO 0.04 1.41 -0.07 0.25 -1.65 0.00 0.00 177.43 177.41 1kgp h LEU 141 N 0.46 0.59 -1.05 1.61 5.85 -1.90 -1.56 115.31 119.32 1kgp h LEU 141 Ca -0.07 -0.36 -0.07 0.00 0.84 0.00 0.00 57.88 58.21 1kgp h LEU 141 Cb 1.49 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 1kgp h LEU 141 CO 0.17 0.81 -0.12 1.56 -0.34 0.00 0.00 178.44 180.52 1kgp h GLN 142 N 0.36 0.54 -0.10 1.25 1.08 -1.41 -2.21 115.11 114.62 1kgp h GLN 142 Ca 0.08 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1kgp h GLN 142 Cb 0.55 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1kgp h GLN 142 CO 0.03 0.65 0.04 -0.09 -0.95 0.00 0.00 178.83 178.51 1kgp h ARG 143 N 0.49 0.15 -0.39 1.46 9.65 -1.00 -0.67 114.38 124.08 1kgp h ARG 143 Ca 0.09 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.85 1kgp h ARG 143 Cb 0.51 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 1kgp h ARG 143 CO 0.03 0.27 -0.13 1.57 2.80 0.00 0.00 179.97 184.52 1kgp h LYS 144 N 0.00 0.70 -0.46 0.20 2.10 -1.14 -1.77 116.57 116.19 1kgp h LYS 144 Ca 0.03 -0.23 -0.08 0.00 -2.00 0.00 0.00 60.65 58.38 1kgp h LYS 144 Cb 0.18 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.43 1kgp h LYS 144 CO -0.00 0.80 -0.01 0.00 -2.00 0.00 0.00 179.45 178.24 1kgp h ALA 145 N 1.23 0.62 -0.00 0.07 0.00 -1.27 -2.43 119.26 117.48 1kgp h ALA 145 Ca 0.11 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1kgp h ALA 145 Cb 0.58 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1kgp h ALA 145 CO 0.04 0.43 -0.66 0.87 0.00 0.00 0.00 179.25 179.92 1kgp h LYS 146 N 0.67 0.01 -0.06 0.00 1.57 -0.94 -0.95 116.57 116.87 1kgp h LYS 146 Ca 0.13 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1kgp h LYS 146 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1kgp h LYS 146 CO 0.03 0.67 0.00 0.82 -0.57 0.00 0.00 179.45 180.40 1kgp h ILE 147 N 0.01 1.24 -0.32 1.86 2.04 -1.27 -0.70 117.51 120.38 1kgp h ILE 147 Ca -0.01 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1kgp h ILE 147 Cb 1.18 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 1kgp h ILE 147 CO 0.09 0.21 0.20 0.40 0.00 0.00 0.00 178.15 179.05 1kgp h ILE 148 N -0.17 1.10 0.00 -0.67 1.08 -1.36 -2.44 117.51 115.04 1kgp h ILE 148 Ca 0.02 -0.20 -0.03 0.00 -0.39 0.00 0.00 64.86 64.25 1kgp h ILE 148 Cb 0.32 0.66 -0.00 0.00 -3.07 0.00 0.00 36.82 34.72 1kgp h ILE 148 CO 0.00 0.09 -0.16 0.24 -0.69 0.00 0.00 178.15 177.64 1kgp h MET 149 N 0.42 0.00 -0.16 2.37 2.86 -1.09 -2.37 114.93 116.96 1kgp h MET 149 Ca 0.12 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 1kgp h MET 149 Cb -0.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1kgp h MET 149 CO -0.02 0.16 -0.20 0.66 1.06 0.00 0.00 176.91 178.56 1kgp h SER 150 N 0.00 0.27 0.07 1.22 4.64 -0.61 -1.16 113.55 117.97 1kgp h SER 150 Ca -0.00 -0.07 -0.25 0.00 -0.47 0.00 0.00 61.79 61.00 1kgp h SER 150 Cb 0.44 -0.07 0.02 0.00 -0.31 0.00 0.00 62.40 62.48 1kgp h SER 150 CO 0.02 0.49 -1.01 1.88 -0.87 0.00 0.00 176.83 177.34 1kgp h TYR 151 N 0.26 0.89 -0.28 4.77 0.05 -1.41 -2.77 116.97 118.47 1kgp h TYR 151 Ca 0.05 -0.53 -0.01 0.00 0.05 0.00 0.00 58.73 58.29 1kgp h TYR 151 Cb 0.51 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 1kgp h TYR 151 CO 0.01 1.37 0.14 1.88 -1.05 0.00 0.00 178.16 180.51 1kgp h TYR 152 N 0.15 0.37 -0.03 4.88 0.05 -1.21 -0.31 116.97 120.88 1kgp h TYR 152 Ca -0.14 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.63 1kgp h TYR 152 Cb 1.70 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 39.32 1kgp h TYR 152 CO 0.13 0.28 0.00 0.09 -1.05 0.00 0.00 178.16 177.61 1kgp n ASN 153 N -4.44 1.11 -2.09 3.88 4.13 -0.46 -4.90 115.26 112.48 1kgp n ASN 153 Ca 0.01 -1.42 0.00 0.00 1.68 0.00 0.00 54.58 54.86 1kgp n ASN 153 Cb 0.11 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.33 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 1.11 -0.63 0.06 7.41 0.00 -0.13 -5.04 105.19 107.98 1kgp n GLY 154 Ca 0.19 -1.73 0.01 0.00 0.00 0.00 0.00 46.02 44.49 1kgp n GLY 154 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kgp n ASP 155 N -2.51 1.88 -4.35 1.61 8.00 -1.26 -4.94 116.55 114.98 1kgp n ASP 155 Ca 0.00 -1.80 -0.44 0.00 0.71 0.00 0.00 54.79 53.26 1kgp n ASP 155 Cb 0.00 -0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.01 1kgp n ASP 155 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1kgp s ASP 156 N -0.81 6.11 0.39 -2.24 -1.08 -1.26 -4.97 116.67 112.81 1kgp s ASP 156 Ca 0.02 -1.48 0.09 0.00 -0.52 0.00 0.00 52.55 50.67 1kgp s ASP 156 Cb 0.01 -2.17 0.86 0.00 -1.46 0.00 0.00 42.92 40.16 1kgp s ASP 156 CO 0.01 -0.70 1.96 1.55 0.52 0.00 0.00 175.17 178.52 1kgp h PRO 157 N 8.76 0.59 -0.30 4.34 0.13 -1.95 -2.68 132.00 140.89 1kgp h PRO 157 Ca -0.28 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.68 1kgp h PRO 157 Cb 1.10 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 1kgp h PRO 157 CO 0.91 0.39 -0.36 -0.07 -0.23 0.00 0.00 178.00 178.65 1kgp h LEU 158 N 0.61 0.70 -0.99 1.56 3.38 -1.99 -2.84 115.31 115.75 1kgp h LEU 158 Ca 0.31 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1kgp h LEU 158 Cb 0.41 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1kgp h LEU 158 CO -0.10 1.00 -0.20 0.11 0.09 0.00 0.00 178.44 179.33 1kgp h LYS 159 N 0.56 0.50 -0.75 1.13 1.57 -1.89 -1.36 116.57 116.33 1kgp h LYS 159 Ca 0.06 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1kgp h LYS 159 Cb 0.88 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.11 1kgp h LYS 159 CO 0.08 0.68 0.36 0.87 -0.57 0.00 0.00 179.45 180.86 1kgp h LYS 160 N 0.45 1.08 -0.44 3.15 1.57 -1.30 0.23 116.57 121.29 1kgp h LYS 160 Ca 0.07 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.56 1kgp h LYS 160 Cb 0.60 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1kgp h LYS 160 CO 0.04 0.83 -0.28 0.87 -0.57 0.00 0.00 179.45 180.34 1kgp h LYS 161 N 1.07 0.97 0.11 3.15 1.57 -1.18 -1.04 116.57 121.22 1kgp h LYS 161 Ca 0.26 -0.46 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1kgp h LYS 161 Cb 0.11 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1kgp h LYS 161 CO -0.03 1.12 -0.05 0.28 -0.57 0.00 0.00 179.45 180.20 1kgp h VAL 162 N 0.82 0.97 -0.91 0.50 2.07 -0.85 -0.49 116.25 118.35 1kgp h VAL 162 Ca 0.09 -0.28 0.09 0.00 0.82 0.00 0.00 66.70 67.42 1kgp h VAL 162 Cb 0.87 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 31.72 1kgp h VAL 162 CO 0.08 0.07 0.55 0.00 0.02 0.00 0.00 177.57 178.29 1kgp h ALA 163 N 0.61 1.31 -0.38 1.67 0.00 -0.90 -0.64 119.26 120.94 1kgp h ALA 163 Ca -0.01 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1kgp h ALA 163 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1kgp h ALA 163 CO 0.02 0.21 -0.15 1.03 0.00 0.00 0.00 179.25 180.37 1kgp h SER 164 N 0.93 0.79 -0.49 0.00 0.87 -0.95 -1.61 113.55 113.08 1kgp h SER 164 Ca 0.43 -0.39 -0.11 0.00 -1.23 0.00 0.00 61.79 60.50 1kgp h SER 164 Cb 0.35 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1kgp h SER 164 CO -0.23 1.00 -0.09 0.74 -0.53 0.00 0.00 176.83 177.72 1kgp h THR 165 N 0.57 1.26 -0.34 2.23 2.02 -0.60 -0.84 112.91 117.21 1kgp h THR 165 Ca 0.09 -1.22 -0.09 0.00 0.77 0.00 0.00 66.41 65.96 1kgp h THR 165 Cb 0.68 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1kgp h THR 165 CO 0.05 0.43 -0.16 -0.07 0.37 0.00 0.00 175.52 176.14 1kgp h LEU 166 N 0.87 0.61 -0.15 2.58 3.38 -1.03 0.20 115.31 121.76 1kgp h LEU 166 Ca 0.14 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1kgp h LEU 166 Cb 0.63 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1kgp h LEU 166 CO 0.04 0.79 -0.17 0.25 0.09 0.00 0.00 178.44 179.44 1kgp h LEU 167 N 0.56 0.41 -0.71 1.67 6.46 -1.08 -0.88 115.31 121.74 1kgp h LEU 167 Ca 0.09 -0.49 -0.14 0.00 -0.12 0.00 0.00 57.88 57.22 1kgp h LEU 167 Cb 0.60 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 1kgp h LEU 167 CO 0.04 0.82 -0.53 -0.33 -0.62 0.00 0.00 178.44 177.82 1kgp h GLU 168 N 0.01 0.31 -0.02 1.25 5.08 -0.88 -3.11 114.58 117.22 1kgp h GLU 168 Ca 0.02 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1kgp h GLU 168 Cb 0.72 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1kgp h GLU 168 CO 0.04 0.76 -0.26 0.43 -1.00 0.00 0.00 179.01 178.98 1kgp n SER 169 N -3.94 1.94 0.12 1.42 7.64 0.67 -4.73 113.62 116.74 1kgp n SER 169 Ca -0.02 -1.47 0.00 0.00 1.01 0.00 0.00 58.87 58.39 1kgp n SER 169 Cb 0.57 0.34 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 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 0.22 -1.84 0.20 1.43 7.35 -0.42 -4.39 117.46 120.01 1kgp n PHE 170 Ca 0.08 0.33 0.18 0.00 -0.76 0.00 0.00 57.45 57.28 1kgp n PHE 170 Cb 0.39 0.42 0.82 0.00 0.35 0.00 0.00 39.48 41.46 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 -0.15 -2.13 3.38 -1.28 -1.82 115.31 113.31 1kgp h LEU 171 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1kgp h LEU 171 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1kgp h LEU 171 CO 0.00 0.00 -0.61 -0.26 0.09 0.00 0.00 178.44 177.66 1kgp h PHE 172 N 0.00 0.00 0.00 1.13 0.04 -1.84 -3.38 116.94 112.89 1kgp h PHE 172 Ca 0.10 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.83 1kgp h PHE 172 Cb 0.72 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 1kgp h PHE 172 CO 0.00 0.61 -0.22 1.88 -0.60 0.00 0.00 178.31 179.98 1kgp h TYR 173 N 0.00 0.00 0.00 -0.55 -1.99 -1.66 -1.48 116.97 111.29 1kgp h TYR 173 Ca -0.01 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 1kgp h TYR 173 Cb 1.40 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.13 1kgp h TYR 173 CO 0.00 0.22 -0.05 0.66 -0.00 0.00 0.00 178.16 178.98 1kgp h SER 174 N 0.00 0.00 0.17 3.88 4.64 -1.75 -2.19 113.55 118.30 1kgp h SER 174 Ca -0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1kgp h SER 174 Cb 0.55 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 1kgp h SER 174 CO 0.03 0.05 -2.01 0.61 -0.87 0.00 0.00 176.83 174.64 1kgp n GLY 175 N -1.06 -0.62 0.32 -0.77 0.00 -0.83 -4.10 105.19 98.13 1kgp n GLY 175 Ca -0.03 -0.24 0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.59 1.61 0.04 -0.86 -2.89 116.94 114.30 1kgp h PHE 176 Ca -0.42 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.37 1kgp h PHE 176 Cb 2.02 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 40.14 1kgp h PHE 176 CO 0.06 0.01 0.36 -0.92 -0.60 0.00 0.00 178.31 177.21 1kgp h TYR 177 N 0.00 0.67 0.00 -0.55 5.03 -1.56 -3.11 116.97 117.45 1kgp h TYR 177 Ca -0.00 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.34 1kgp h TYR 177 Cb 0.16 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.21 1kgp h TYR 177 CO 0.00 0.38 -0.04 1.25 -1.32 0.00 0.00 178.16 178.43 1kgp h LEU 178 N 0.71 -0.11 -1.40 2.82 6.46 -1.75 -0.52 115.31 121.51 1kgp h LEU 178 Ca 0.24 0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.95 1kgp h LEU 178 Cb 0.02 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 1kgp h LEU 178 CO -0.10 -0.06 -0.29 1.55 -0.62 0.00 0.00 178.44 178.92 1kgp h PRO 179 N -0.07 0.00 -0.22 5.25 0.13 -1.73 -0.26 132.00 135.09 1kgp h PRO 179 Ca 0.02 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.97 1kgp h PRO 179 Cb 0.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.22 1kgp h PRO 179 CO -0.04 0.29 -0.58 0.52 -0.23 0.00 0.00 178.00 177.96 1kgp h MET 180 N 0.00 0.70 -0.07 0.86 2.86 -1.42 -0.82 114.93 117.04 1kgp h MET 180 Ca -0.00 -0.46 -0.01 0.00 -2.06 0.00 0.00 59.70 57.16 1kgp h MET 180 Cb 0.58 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 1kgp h MET 180 CO 0.04 1.08 -0.00 -0.92 1.06 0.00 0.00 176.91 178.17 1kgp h TYR 181 N 0.53 0.14 -0.71 -0.22 5.03 -0.73 -3.05 116.97 117.95 1kgp h TYR 181 Ca 0.00 -0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.23 1kgp h TYR 181 Cb 1.16 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 39.38 1kgp h TYR 181 CO 0.06 0.40 0.21 -0.07 -1.32 0.00 0.00 178.16 177.44 1kgp h LEU 182 N -0.16 1.04 -1.40 2.82 3.38 -1.04 -2.94 115.31 117.01 1kgp h LEU 182 Ca 0.02 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1kgp h LEU 182 Cb 0.34 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1kgp h LEU 182 CO 0.00 0.98 -0.24 0.77 0.09 0.00 0.00 178.44 180.04 1kgp h SER 183 N 1.06 0.00 0.82 -0.43 4.64 -0.94 -0.11 113.55 118.60 1kgp h SER 183 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1kgp h SER 183 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1kgp h SER 183 CO -0.00 0.24 0.00 -1.54 -0.87 0.00 0.00 176.83 174.66 1kgp n SER 184 N -3.63 0.03 -0.80 4.97 3.41 -1.11 -2.80 113.62 113.69 1kgp n SER 184 Ca -0.01 0.50 0.02 0.00 -0.26 0.00 0.00 58.87 59.13 1kgp n SER 184 Cb 0.37 -0.51 0.20 0.00 -0.26 0.00 0.00 64.21 64.01 1kgp n SER 184 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1kgp n ARG 185 N -1.53 1.79 -2.37 4.33 1.74 -0.49 -4.96 116.66 115.17 1kgp n ARG 185 Ca 0.06 -3.11 -0.20 0.00 -0.77 0.00 0.00 57.85 53.83 1kgp n ARG 185 Cb 0.28 -1.71 -0.01 0.00 -1.02 0.00 0.00 32.46 29.99 1kgp n ARG 185 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kgp n ALA 186 N -1.10 -0.58 -2.93 7.54 0.00 -1.12 -5.01 120.51 117.31 1kgp n ALA 186 Ca 0.25 0.16 -0.32 0.00 0.00 0.00 0.00 53.44 53.53 1kgp n ALA 186 Cb 0.85 -2.11 -0.16 0.00 0.00 0.00 0.00 19.45 18.04 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 -4.97 2.88 -1.34 0.00 1.02 -0.17 -4.74 119.74 112.42 1kgp s LYS 187 Ca 0.00 -0.83 -0.02 0.00 0.02 0.00 0.00 55.97 55.15 1kgp s LYS 187 Cb 0.00 -2.33 -0.00 0.00 -0.52 0.00 0.00 37.83 34.98 1kgp s LYS 187 CO 0.00 0.31 0.58 1.28 -0.92 0.00 0.00 175.35 176.60 1kgp n LEU 188 N 3.18 -2.71 0.08 3.17 4.77 -1.26 -2.73 117.00 121.50 1kgp n LEU 188 Ca -0.18 -0.92 -0.04 0.00 -0.03 0.00 0.00 56.01 54.84 1kgp n LEU 188 Cb 0.52 -2.45 0.15 0.00 -2.33 0.00 0.00 43.42 39.32 1kgp n LEU 188 CO 0.27 0.42 0.54 0.71 -1.33 0.00 0.00 177.39 178.00 1kgp h THR 189 N -1.85 1.36 -0.17 -5.08 1.35 -1.90 -1.92 112.91 104.70 1kgp h THR 189 Ca -0.62 -1.81 -0.19 0.00 -0.55 0.00 0.00 66.41 63.24 1kgp h THR 189 Cb 1.37 1.87 -0.00 0.00 -1.73 0.00 0.00 68.15 69.66 1kgp h THR 189 CO 0.58 0.54 -0.66 0.78 -0.25 0.00 0.00 175.52 176.51 1kgp h ASN 190 N 0.20 0.73 -0.41 5.36 2.35 -1.90 -2.64 115.58 119.28 1kgp h ASN 190 Ca 0.00 -0.44 -0.02 0.00 -0.55 0.00 0.00 56.30 55.30 1kgp h ASN 190 Cb 1.00 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.14 1kgp h ASN 190 CO 0.08 1.19 0.19 0.74 -1.65 0.00 0.00 177.43 177.99 1kgp h THR 191 N 0.46 1.16 -0.05 2.81 2.02 -1.88 -1.21 112.91 116.23 1kgp h THR 191 Ca -0.02 -0.49 -0.06 0.00 0.77 0.00 0.00 66.41 66.61 1kgp h THR 191 Cb 1.24 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1kgp h THR 191 CO 0.13 0.20 -0.25 0.00 0.37 0.00 0.00 175.52 175.96 1kgp h ALA 192 N 1.58 1.49 -0.29 6.16 0.00 -1.00 -1.77 119.26 125.43 1kgp h ALA 192 Ca 0.16 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1kgp h ALA 192 Cb 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1kgp h ALA 192 CO -0.02 0.37 -0.23 -0.44 0.00 0.00 0.00 179.25 178.94 1kgp h ASP 193 N 0.08 0.54 -0.18 0.00 3.32 -0.95 -1.02 116.42 118.21 1kgp h ASP 193 Ca 0.01 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 1kgp h ASP 193 Cb 0.50 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1kgp h ASP 193 CO 0.04 0.77 0.00 0.40 -1.72 0.00 0.00 179.24 178.73 1kgp h ILE 194 N 0.48 1.25 -0.93 0.35 2.04 -1.20 -2.46 117.51 117.05 1kgp h ILE 194 Ca 0.07 -0.85 0.07 0.00 1.00 0.00 0.00 64.86 65.16 1kgp h ILE 194 Cb 0.66 1.46 -0.07 0.00 -0.74 0.00 0.00 36.82 38.13 1kgp h ILE 194 CO 0.05 0.26 0.58 0.40 0.00 0.00 0.00 178.15 179.44 1kgp h ILE 195 N 0.07 1.03 -0.43 -0.67 1.08 -1.02 -1.13 117.51 116.45 1kgp h ILE 195 Ca 0.05 -0.36 -0.06 0.00 -0.39 0.00 0.00 64.86 64.10 1kgp h ILE 195 Cb 0.38 -0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 34.02 1kgp h ILE 195 CO 0.01 0.19 0.01 0.03 -0.69 0.00 0.00 178.15 177.70 1kgp h ARG 196 N 1.04 0.68 -0.48 2.37 3.08 -1.07 0.08 114.38 120.09 1kgp h ARG 196 Ca 0.41 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 60.21 1kgp h ARG 196 Cb 0.22 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1kgp h ARG 196 CO -0.19 0.69 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.29 1kgp h LEU 197 N 0.65 0.80 -0.21 3.04 3.38 -0.76 0.16 115.31 122.37 1kgp h LEU 197 Ca 0.13 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1kgp h LEU 197 Cb 0.39 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1kgp h LEU 197 CO 0.01 0.89 -0.05 0.40 0.09 0.00 0.00 178.44 179.79 1kgp h ILE 198 N 0.76 1.28 -0.59 1.22 2.04 -0.75 -2.71 117.51 118.76 1kgp h ILE 198 Ca 0.14 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 1kgp h ILE 198 Cb 0.52 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 1kgp h ILE 198 CO 0.03 0.31 0.31 0.40 0.00 0.00 0.00 178.15 179.20 1kgp h ILE 199 N 0.14 1.18 -0.26 -0.67 2.04 -0.78 0.16 117.51 119.32 1kgp h ILE 199 Ca 0.05 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 1kgp h ILE 199 Cb 0.49 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1kgp h ILE 199 CO 0.02 0.20 0.09 -0.09 0.00 0.00 0.00 178.15 178.38 1kgp h ARG 200 N 0.82 0.36 0.03 2.37 2.43 -0.80 -0.03 114.38 119.56 1kgp h ARG 200 Ca 0.21 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1kgp h ARG 200 Cb 0.03 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1kgp h ARG 200 CO -0.03 0.32 -0.16 -0.44 -1.51 0.00 0.00 179.97 178.14 1kgp h ASP 201 N 0.37 0.10 -0.40 -3.80 3.32 -0.80 -3.32 116.42 111.89 1kgp h ASP 201 Ca 0.09 -0.97 -0.03 0.00 0.02 0.00 0.00 57.03 56.15 1kgp h ASP 201 Cb 0.10 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1kgp h ASP 201 CO -0.01 1.06 0.17 -0.33 -1.72 0.00 0.00 179.24 178.41 1kgp h GLU 202 N -0.85 0.65 -0.55 3.56 4.39 -0.53 -1.03 114.58 120.22 1kgp h GLU 202 Ca -0.03 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.54 1kgp h GLU 202 Cb 1.11 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.62 1kgp h GLU 202 CO 0.03 0.54 0.17 0.66 -1.16 0.00 0.00 179.01 179.25 1kgp h SER 203 N 0.64 0.75 -0.14 1.42 4.64 -1.15 -1.13 113.55 118.59 1kgp h SER 203 Ca 0.16 -0.12 -0.17 0.00 -0.47 0.00 0.00 61.79 61.18 1kgp h SER 203 Cb 0.15 -0.20 0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1kgp h SER 203 CO -0.01 0.72 -0.59 0.58 -0.87 0.00 0.00 176.83 176.65 1kgp h VAL 204 N 0.80 1.33 -0.13 0.95 2.07 -1.52 -2.47 116.25 117.27 1kgp h VAL 204 Ca 0.18 -1.86 0.04 0.00 0.82 0.00 0.00 66.70 65.88 1kgp h VAL 204 Cb 0.24 2.06 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 1kgp h VAL 204 CO -0.01 0.57 -0.10 0.45 0.02 0.00 0.00 177.57 178.51 1kgp h HIS 205 N 0.31 -0.24 -0.72 1.57 -0.00 -0.77 0.03 115.15 115.32 1kgp h HIS 205 Ca -0.04 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.29 1kgp h HIS 205 Cb 1.23 0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 28.74 1kgp h HIS 205 CO 0.10 -0.15 0.23 0.78 -0.00 0.00 0.00 177.93 178.88 1kgp h GLY 206 N -0.11 1.20 0.98 2.45 0.00 -1.29 -0.06 103.07 106.25 1kgp h GLY 206 Ca 0.08 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 1kgp h GLY 206 CO -0.20 0.66 0.26 -1.82 0.00 0.00 0.00 176.54 175.44 1kgp h TYR 207 N 1.08 0.79 0.02 5.60 3.20 -1.06 -1.24 116.97 125.36 1kgp h TYR 207 Ca 0.23 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 1kgp h TYR 207 Cb 0.30 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.33 1kgp h TYR 207 CO 0.02 0.62 -0.01 -0.92 -1.64 0.00 0.00 178.16 176.23 1kgp h TYR 208 N 0.74 -0.03 -0.33 -3.82 3.20 -0.70 -0.86 116.97 115.16 1kgp h TYR 208 Ca 0.19 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 1kgp h TYR 208 Cb 0.12 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1kgp h TYR 208 CO -0.00 0.49 -0.02 0.82 -1.64 0.00 0.00 178.16 177.80 1kgp h ILE 209 N -0.56 1.20 -0.47 1.81 2.04 -1.08 -1.63 117.51 118.82 1kgp h ILE 209 Ca -0.00 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 1kgp h ILE 209 Cb 0.53 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1kgp h ILE 209 CO 0.01 0.28 0.16 1.23 0.00 0.00 0.00 178.15 179.82 1kgp h GLY 210 N 0.85 0.77 0.84 5.37 0.00 -1.20 -1.49 103.07 108.20 1kgp h GLY 210 Ca 0.11 -0.45 0.03 0.00 0.00 0.00 0.00 47.33 47.02 1kgp h GLY 210 CO 0.01 0.42 0.43 -1.82 0.00 0.00 0.00 176.54 175.58 1kgp h TYR 211 N 0.62 0.81 -0.06 5.60 3.20 -0.56 -1.78 116.97 124.80 1kgp h TYR 211 Ca 0.15 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 1kgp h TYR 211 Cb 0.24 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1kgp h TYR 211 CO 0.01 0.45 -0.37 0.87 -1.64 0.00 0.00 178.16 177.48 1kgp h LYS 212 N 0.84 0.11 -0.05 1.82 1.79 -1.02 -2.32 116.57 117.74 1kgp h LYS 212 Ca 0.29 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1kgp h LYS 212 Cb 0.05 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1kgp h LYS 212 CO -0.12 0.47 0.02 -0.92 -1.08 0.00 0.00 179.45 177.82 1kgp h TYR 213 N 0.10 0.08 -0.71 -1.35 3.20 -0.60 -2.02 116.97 115.68 1kgp h TYR 213 Ca 0.01 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1kgp h TYR 213 Cb 0.70 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.89 1kgp h TYR 213 CO 0.01 0.23 0.39 1.96 -1.64 0.00 0.00 178.16 179.11 1kgp h GLN 214 N -0.09 0.69 -0.45 1.82 4.20 -1.09 0.78 115.11 120.98 1kgp h GLN 214 Ca 0.02 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1kgp h GLN 214 Cb 0.19 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1kgp h GLN 214 CO -0.00 0.46 0.22 1.96 -0.67 0.00 0.00 178.83 180.80 1kgp h GLN 215 N 0.72 0.63 -0.28 1.46 4.20 -1.31 -2.45 115.11 118.08 1kgp h GLN 215 Ca 0.32 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.89 1kgp h GLN 215 Cb 0.22 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1kgp h GLN 215 CO -0.20 0.53 -0.05 0.78 -0.67 0.00 0.00 178.83 179.22 1kgp h GLY 216 N 0.58 0.57 2.00 3.46 0.00 -0.69 -3.21 103.07 105.78 1kgp h GLY 216 Ca 0.15 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 1kgp h GLY 216 CO -0.02 0.42 -0.42 -0.24 0.00 0.00 0.00 176.54 176.28 1kgp h VAL 217 N 0.29 1.30 0.00 4.60 3.04 -0.85 -2.34 116.25 122.28 1kgp h VAL 217 Ca 0.07 -1.46 0.00 0.00 -1.01 0.00 0.00 66.70 64.30 1kgp h VAL 217 Cb 0.52 1.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 1kgp h VAL 217 CO 0.02 0.42 0.00 0.29 -1.01 0.00 0.00 177.57 177.29 1kgp n LYS 218 N -4.02 0.23 -0.21 4.17 5.02 -0.93 -2.03 118.16 120.39 1kgp n LYS 218 Ca -0.02 0.13 0.09 0.00 -2.02 0.00 0.00 58.31 56.49 1kgp n LYS 218 Cb 0.45 -1.50 0.25 0.00 -0.02 0.00 0.00 35.03 34.21 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 -1.29 2.13 -3.40 1.97 5.02 -0.88 -4.94 118.16 116.76 1kgp n LYS 219 Ca 0.08 -1.73 -0.20 0.00 -2.02 0.00 0.00 58.31 54.44 1kgp n LYS 219 Cb 0.14 -1.41 -0.01 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.18 3.41 0.91 -0.35 1.43 -0.86 -5.11 118.68 116.93 1kgp s LEU 220 Ca 0.34 -0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 1kgp s LEU 220 Cb 0.18 -2.14 0.14 0.00 0.03 0.00 0.00 46.19 44.40 1kgp s LEU 220 CO 0.25 -0.75 1.10 -0.94 0.23 0.00 0.00 176.35 176.23 1kgp s SER 221 N -4.23 3.36 0.16 2.29 1.04 -1.26 -4.76 113.70 110.30 1kgp s SER 221 Ca 0.50 1.35 -0.16 0.00 0.48 0.00 0.00 55.95 58.12 1kgp s SER 221 Cb -0.05 -2.03 0.09 0.00 0.10 0.00 0.00 66.02 64.13 1kgp s SER 221 CO 0.30 -2.69 1.72 -0.08 0.98 0.00 0.00 173.24 173.46 1kgp h GLU 222 N -1.59 0.16 -0.64 4.02 4.81 -1.99 -1.32 114.58 118.03 1kgp h GLU 222 Ca -0.51 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.68 1kgp h GLU 222 Cb 1.30 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 1kgp h GLU 222 CO 0.56 0.10 0.26 0.00 -0.73 0.00 0.00 179.01 179.21 1kgp h ALA 223 N 1.29 0.83 -0.25 2.92 0.00 -2.00 -2.82 119.26 119.23 1kgp h ALA 223 Ca 0.18 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1kgp h ALA 223 Cb 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1kgp h ALA 223 CO -0.26 0.45 -0.24 0.93 0.00 0.00 0.00 179.25 180.13 1kgp h GLU 224 N 0.90 0.48 -0.32 0.00 5.08 -1.82 -2.03 114.58 116.87 1kgp h GLU 224 Ca 0.21 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 1kgp h GLU 224 Cb 0.20 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1kgp h GLU 224 CO -0.02 0.68 -0.20 1.96 -1.00 0.00 0.00 179.01 180.43 1kgp h GLN 225 N 0.42 0.59 -0.14 2.33 4.20 -1.05 -1.16 115.11 120.31 1kgp h GLN 225 Ca 0.06 -0.21 -0.18 0.00 0.06 0.00 0.00 58.65 58.39 1kgp h GLN 225 Cb 0.64 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 1kgp h GLN 225 CO 0.05 0.76 -0.65 0.93 -0.67 0.00 0.00 178.83 179.24 1kgp h GLU 226 N 0.53 0.52 -0.35 1.46 4.39 -1.30 -2.46 114.58 117.37 1kgp h GLU 226 Ca 0.08 -0.38 -0.07 0.00 0.34 0.00 0.00 59.36 59.34 1kgp h GLU 226 Cb 0.64 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1kgp h GLU 226 CO 0.05 1.00 -0.04 0.93 -1.16 0.00 0.00 179.01 179.78 1kgp h GLU 227 N 0.38 0.64 -0.19 2.33 5.08 -1.11 -1.18 114.58 120.53 1kgp h GLU 227 Ca -0.02 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 1kgp h GLU 227 Cb 1.22 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1kgp h GLU 227 CO 0.12 0.78 -0.17 1.88 -1.00 0.00 0.00 179.01 180.62 1kgp h TYR 228 N 0.44 0.33 -0.50 4.33 0.05 -1.22 0.40 116.97 120.80 1kgp h TYR 228 Ca 0.09 -0.05 -0.09 0.00 0.05 0.00 0.00 58.73 58.74 1kgp h TYR 228 Cb 0.52 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.15 1kgp h TYR 228 CO 0.04 0.47 -0.03 -0.22 -1.05 0.00 0.00 178.16 177.38 1kgp h LYS 229 N 0.29 0.91 -0.54 4.88 3.64 -1.18 -1.06 116.57 123.52 1kgp h LYS 229 Ca 0.05 -0.31 -0.07 0.00 -1.27 0.00 0.00 60.65 59.06 1kgp h LYS 229 Cb 0.47 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1kgp h LYS 229 CO 0.03 0.95 0.07 0.00 -2.27 0.00 0.00 179.45 178.23 1kgp h ALA 230 N 0.92 0.71 -0.55 5.00 0.00 -0.77 -2.48 119.26 122.09 1kgp h ALA 230 Ca 0.14 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1kgp h ALA 230 Cb 0.56 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1kgp h ALA 230 CO 0.03 0.47 0.35 -0.92 0.00 0.00 0.00 179.25 179.18 1kgp h TYR 231 N 0.78 0.66 -0.72 0.00 5.03 -0.72 -0.91 116.97 121.09 1kgp h TYR 231 Ca 0.16 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.47 1kgp h TYR 231 Cb 0.43 -0.22 -0.03 0.00 1.55 0.00 0.00 36.73 38.46 1kgp h TYR 231 CO 0.03 0.40 0.39 1.15 -1.32 0.00 0.00 178.16 178.81 1kgp h THR 232 N 0.71 1.22 -0.09 1.81 2.02 -1.04 -1.45 112.91 116.09 1kgp h THR 232 Ca 0.21 -0.56 -0.15 0.00 0.77 0.00 0.00 66.41 66.68 1kgp h THR 232 Cb -0.04 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 1kgp h THR 232 CO -0.06 0.24 -0.61 -0.26 0.37 0.00 0.00 175.52 175.20 1kgp h PHE 233 N 0.99 0.42 -0.43 3.16 0.04 -1.15 -1.79 116.94 118.17 1kgp h PHE 233 Ca 0.25 -0.16 -0.07 0.00 2.80 0.00 0.00 57.97 60.79 1kgp h PHE 233 Cb 0.04 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 1kgp h PHE 233 CO -0.00 0.85 -0.01 -0.44 -0.60 0.00 0.00 178.31 178.11 1kgp h ASP 234 N 0.24 0.75 -0.36 2.17 3.32 -0.91 -1.94 116.42 119.70 1kgp h ASP 234 Ca -0.01 -0.31 -0.15 0.00 0.02 0.00 0.00 57.03 56.58 1kgp h ASP 234 Cb 1.13 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 1kgp h ASP 234 CO 0.10 0.88 -0.37 0.25 -1.72 0.00 0.00 179.24 178.38 1kgp h LEU 235 N 0.61 0.95 -0.73 1.55 5.85 -1.25 -1.96 115.31 120.32 1kgp h LEU 235 Ca 0.12 -0.47 0.02 0.00 0.84 0.00 0.00 57.88 58.39 1kgp h LEU 235 Cb 0.50 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1kgp h LEU 235 CO 0.02 1.22 0.47 -0.03 -0.34 0.00 0.00 178.44 179.79 1kgp h MET 236 N 0.69 0.92 -0.43 1.25 4.05 -1.26 0.74 114.93 120.88 1kgp h MET 236 Ca 0.06 -0.06 -0.11 0.00 -0.28 0.00 0.00 59.70 59.31 1kgp h MET 236 Cb 0.96 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.54 1kgp h MET 236 CO 0.09 0.61 -0.17 -0.92 0.23 0.00 0.00 176.91 176.75 1kgp h TYR 237 N 0.95 1.00 -0.34 1.39 3.20 -1.25 -0.07 116.97 121.86 1kgp h TYR 237 Ca 0.28 -0.24 0.04 0.00 3.14 0.00 0.00 58.73 61.96 1kgp h TYR 237 Cb -0.05 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 37.95 1kgp h TYR 237 CO -0.03 1.01 0.10 -0.44 -1.64 0.00 0.00 178.16 177.16 1kgp h ASP 238 N 0.71 0.09 -0.57 -2.11 3.45 -0.86 -0.13 116.42 116.99 1kgp h ASP 238 Ca 0.10 0.04 -0.08 0.00 0.43 0.00 0.00 57.03 57.52 1kgp h ASP 238 Cb 0.72 0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 39.51 1kgp h ASP 238 CO 0.05 0.09 0.04 -0.07 -1.57 0.00 0.00 179.24 177.78 1kgp h LEU 239 N 0.24 0.98 -0.30 1.55 3.38 -0.72 -2.18 115.31 118.25 1kgp h LEU 239 Ca 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1kgp h LEU 239 Cb 0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1kgp h LEU 239 CO -0.17 1.01 0.10 0.22 0.09 0.00 0.00 178.44 179.68 1kgp h TYR 240 N 0.93 0.47 -0.26 1.13 3.20 -0.55 0.45 116.97 122.34 1kgp h TYR 240 Ca 0.18 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.04 1kgp h TYR 240 Cb 0.49 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 1kgp h TYR 240 CO 0.03 0.49 0.04 1.49 -1.64 0.00 0.00 178.16 178.57 1kgp h GLU 241 N 0.32 0.13 -0.44 1.82 4.81 -0.97 0.41 114.58 120.66 1kgp h GLU 241 Ca 0.10 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 1kgp h GLU 241 Cb 0.23 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1kgp h GLU 241 CO -0.00 0.08 -0.05 -0.97 -0.73 0.00 0.00 179.01 177.34 1kgp h ASN 242 N 0.13 0.73 0.10 1.04 -1.24 -1.23 -2.82 115.58 112.30 1kgp h ASN 242 Ca 0.12 -0.19 -0.08 0.00 0.71 0.00 0.00 56.30 56.86 1kgp h ASN 242 Cb 0.14 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 1kgp h ASN 242 CO -0.17 0.83 -0.28 -0.08 -1.29 0.00 0.00 177.43 176.44 1kgp h GLU 243 N 0.70 0.28 -0.26 6.67 4.57 -0.06 -2.51 114.58 123.98 1kgp h GLU 243 Ca 0.13 -0.10 0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1kgp h GLU 243 Cb 0.50 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 1kgp h GLU 243 CO 0.03 0.54 0.14 0.82 -1.18 0.00 0.00 179.01 179.36 1kgp h ILE 244 N 0.25 1.01 -0.69 2.32 1.08 -0.68 0.69 117.51 121.50 1kgp h ILE 244 Ca 0.04 -0.10 -0.02 0.00 -0.39 0.00 0.00 64.86 64.39 1kgp h ILE 244 Cb 0.63 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 35.04 1kgp h ILE 244 CO 0.05 0.05 0.36 -0.08 -0.69 0.00 0.00 178.15 177.83 1kgp h GLU 245 N 0.29 0.97 -0.50 2.37 4.81 -1.47 -0.49 114.58 120.57 1kgp h GLU 245 Ca 0.10 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1kgp h GLU 245 Cb 0.01 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1kgp h GLU 245 CO -0.06 0.75 0.18 -0.92 -0.73 0.00 0.00 179.01 178.24 1kgp h TYR 246 N 0.95 0.78 -0.55 0.92 3.20 -1.10 -2.26 116.97 118.90 1kgp h TYR 246 Ca 0.24 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 1kgp h TYR 246 Cb 0.08 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 1kgp h TYR 246 CO -0.00 0.66 0.18 1.15 -1.64 0.00 0.00 178.16 178.51 1kgp h THR 247 N 0.67 1.23 -0.66 1.81 2.02 -0.52 -2.08 112.91 115.38 1kgp h THR 247 Ca 0.16 -0.79 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 1kgp h THR 247 Cb 0.22 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1kgp h THR 247 CO -0.01 0.29 0.29 -0.33 0.37 0.00 0.00 175.52 176.14 1kgp h GLU 248 N 0.76 0.97 0.00 6.66 5.08 -0.96 -0.36 114.58 126.73 1kgp h GLU 248 Ca 0.18 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1kgp h GLU 248 Cb 0.27 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1kgp h GLU 248 CO -0.01 0.79 -0.10 -0.44 -1.00 0.00 0.00 179.01 178.26 1kgp h ASP 249 N 0.92 0.00 0.10 1.42 3.32 -1.21 -1.33 116.42 119.64 1kgp h ASP 249 Ca 0.22 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.97 1kgp h ASP 249 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1kgp h ASP 249 CO -0.02 0.10 -1.59 0.40 -1.72 0.00 0.00 179.24 176.40 1kgp h ILE 250 N 0.00 0.86 -0.13 0.35 1.08 -0.90 -3.42 117.51 115.35 1kgp h ILE 250 Ca -0.00 -2.33 0.00 0.00 -0.39 0.00 0.00 64.86 62.13 1kgp h ILE 250 Cb 0.63 2.54 0.00 0.00 -3.07 0.00 0.00 36.82 36.92 1kgp h ILE 250 CO 0.01 0.69 0.00 -1.22 -0.69 0.00 0.00 178.15 176.94 1kgp n TYR 251 N -3.87 0.15 -0.22 1.37 4.01 -0.19 -4.62 117.16 113.79 1kgp n TYR 251 Ca -0.29 -0.10 -0.08 0.00 -0.16 0.00 0.00 57.90 57.27 1kgp n TYR 251 Cb 0.91 -0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.96 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 3.64 0.92 -0.77 7.72 3.32 -1.43 0.23 116.42 130.06 1kgp h ASP 252 Ca 0.00 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 1kgp h ASP 252 Cb 0.81 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 1kgp h ASP 252 CO 0.00 0.91 0.37 -0.78 -1.72 0.00 0.00 179.24 178.02 1kgp h ASP 253 N 0.88 1.01 0.78 6.45 1.82 -1.83 -2.36 116.42 123.17 1kgp h ASP 253 Ca 0.19 -0.12 -0.17 0.00 -0.39 0.00 0.00 57.03 56.55 1kgp h ASP 253 Cb 0.35 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.07 1kgp h ASP 253 CO 0.00 0.86 -0.78 -0.07 -1.61 0.00 0.00 179.24 177.63 1kgp h LEU 254 N 1.11 0.00 0.00 2.28 3.38 -1.79 -3.48 115.31 116.81 1kgp h LEU 254 Ca 0.27 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1kgp h LEU 254 Cb 0.12 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1kgp h LEU 254 CO -0.03 0.79 0.00 0.61 0.09 0.00 0.00 178.44 179.89 1kgp n GLY 255 N 0.73 0.51 0.07 0.83 0.00 0.79 -4.95 105.19 103.18 1kgp n GLY 255 Ca -0.01 -0.87 0.12 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.85 0.00 -0.36 1.61 8.01 -1.04 -4.66 117.44 118.15 1kgp n TRP 256 Ca 0.00 0.00 0.01 0.00 -1.31 0.00 0.00 57.50 56.20 1kgp n TRP 256 Cb 0.03 -0.14 0.07 0.00 -2.01 0.00 0.00 31.31 29.26 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 -1.26 -0.47 -0.23 -0.99 -1.04 -1.25 -1.91 114.28 107.13 1kgp n THR 257 Ca 0.06 2.21 -0.03 0.00 -2.04 0.00 0.00 64.05 64.25 1kgp n THR 257 Cb 0.35 -2.97 0.08 0.00 -1.82 0.00 0.00 70.33 65.96 1kgp n THR 257 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1kgp h GLU 258 N 0.00 0.76 -0.34 -2.82 4.39 -1.95 0.42 114.58 115.04 1kgp h GLU 258 Ca 0.37 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.92 1kgp h GLU 258 Cb 0.61 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1kgp h GLU 258 CO -0.96 0.50 -0.24 0.22 -1.16 0.00 0.00 179.01 177.38 1kgp h ASP 259 N 0.79 0.67 -0.71 1.42 3.58 -1.73 -2.79 116.42 117.64 1kgp h ASP 259 Ca 0.27 -0.24 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 1kgp h ASP 259 Cb 0.05 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.88 1kgp h ASP 259 CO -0.12 0.90 0.30 0.58 -2.88 0.00 0.00 179.24 178.02 1kgp h VAL 260 N 0.58 1.24 -0.06 2.25 2.07 -0.79 -2.35 116.25 119.20 1kgp h VAL 260 Ca 0.08 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 1kgp h VAL 260 Cb 0.72 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1kgp h VAL 260 CO 0.06 0.30 -0.18 0.11 0.02 0.00 0.00 177.57 177.88 1kgp h LYS 261 N 1.01 0.09 -0.35 1.57 1.57 -0.71 -0.91 116.57 118.85 1kgp h LYS 261 Ca 0.24 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.85 1kgp h LYS 261 Cb 0.18 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1kgp h LYS 261 CO -0.02 0.27 -0.39 0.00 -0.57 0.00 0.00 179.45 178.73 1kgp h ARG 262 N 0.08 0.85 -0.68 3.15 3.08 -1.21 -2.36 114.38 117.29 1kgp h ARG 262 Ca 0.02 -0.45 -0.02 0.00 0.07 0.00 0.00 59.98 59.59 1kgp h ARG 262 Cb 0.37 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1kgp h ARG 262 CO 0.03 1.09 0.34 0.35 -1.07 0.00 0.00 179.97 180.70 1kgp h PHE 263 N 0.70 0.96 -0.35 3.04 -0.00 -0.80 -0.87 116.94 119.62 1kgp h PHE 263 Ca 0.06 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.97 57.97 1kgp h PHE 263 Cb 0.97 -0.30 -0.02 0.00 -0.00 0.00 0.00 35.95 36.60 1kgp h PHE 263 CO 0.06 0.69 0.13 -0.07 -0.00 0.00 0.00 178.31 179.12 1kgp h LEU 264 N 0.96 0.48 -0.67 0.59 3.38 -0.91 -1.84 115.31 117.31 1kgp h LEU 264 Ca 0.24 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1kgp h LEU 264 Cb 0.08 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1kgp h LEU 264 CO -0.03 0.53 0.11 0.03 0.09 0.00 0.00 178.44 179.17 1kgp h ARG 265 N 0.41 1.12 -0.09 1.13 3.08 -1.09 -0.03 114.38 118.91 1kgp h ARG 265 Ca 0.11 -0.30 0.02 0.00 0.07 0.00 0.00 59.98 59.89 1kgp h ARG 265 Cb 0.20 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1kgp h ARG 265 CO -0.01 1.02 -0.05 -0.92 -1.07 0.00 0.00 179.97 178.95 1kgp h TYR 266 N 1.04 -0.11 0.00 3.04 3.20 -0.99 -2.09 116.97 121.06 1kgp h TYR 266 Ca 0.20 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.98 1kgp h TYR 266 Cb 0.45 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 1kgp h TYR 266 CO 0.03 -0.08 -0.50 -0.91 -1.64 0.00 0.00 178.16 175.07 1kgp h ASN 267 N -0.04 0.00 -0.59 -2.11 2.35 -1.17 -2.78 115.58 111.23 1kgp h ASN 267 Ca 0.05 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.72 1kgp h ASN 267 Cb 0.12 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1kgp h ASN 267 CO -0.12 0.50 0.07 0.00 -1.65 0.00 0.00 177.43 176.24 1kgp h ALA 268 N 1.50 0.96 -0.60 -0.83 0.00 -0.69 -0.33 119.26 119.27 1kgp h ALA 268 Ca -0.01 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1kgp h ALA 268 Cb 1.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1kgp h ALA 268 CO 0.07 0.64 0.01 -0.91 0.00 0.00 0.00 179.25 179.06 1kgp h ASN 269 N 0.96 1.03 -0.60 0.00 2.35 -1.19 -2.10 115.58 116.01 1kgp h ASN 269 Ca 0.19 -0.30 -0.03 0.00 -0.55 0.00 0.00 56.30 55.60 1kgp h ASN 269 Cb 0.45 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 1kgp h ASN 269 CO 0.02 1.08 0.24 0.11 -1.65 0.00 0.00 177.43 177.22 1kgp h LYS 270 N 0.94 0.90 -0.47 0.81 1.79 -1.20 -0.59 116.57 118.76 1kgp h LYS 270 Ca 0.17 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1kgp h LYS 270 Cb 0.54 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 1kgp h LYS 270 CO 0.03 0.77 0.31 0.00 -1.08 0.00 0.00 179.45 179.47 1kgp h ALA 271 N 1.09 0.59 -0.59 3.86 0.00 -0.87 -0.08 119.26 123.26 1kgp h ALA 271 Ca 0.20 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1kgp h ALA 271 Cb 0.20 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1kgp h ALA 271 CO -0.02 0.04 0.12 -0.07 0.00 0.00 0.00 179.25 179.33 1kgp h LEU 272 N 0.63 0.88 -0.99 0.00 3.38 -1.19 -2.21 115.31 115.81 1kgp h LEU 272 Ca 0.17 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1kgp h LEU 272 Cb -0.07 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1kgp h LEU 272 CO -0.04 0.87 0.36 0.78 0.09 0.00 0.00 178.44 180.50 1kgp h ASN 273 N 0.89 0.97 0.10 -0.43 -0.26 -0.51 -0.39 115.58 115.95 1kgp h ASN 273 Ca 0.19 -0.11 -0.00 0.00 -0.56 0.00 0.00 56.30 55.81 1kgp h ASN 273 Cb 0.35 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.36 1kgp h ASN 273 CO 0.00 0.83 -0.02 0.78 -1.06 0.00 0.00 177.43 177.96 1kgp h ASN 274 N 1.07 0.00 -0.36 5.81 2.35 -0.41 -0.19 115.58 123.85 1kgp h ASN 274 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 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 -0.03 0.02 0.00 0.18 -1.65 0.00 0.00 177.43 175.94 1kgp n LEU 275 N -3.45 2.92 0.00 1.61 4.77 -0.30 -3.76 117.00 118.78 1kgp n LEU 275 Ca -0.03 -1.28 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 1kgp n LEU 275 Cb 0.11 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1kgp n LEU 275 CO 0.25 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 1kgp n GLY 276 N 1.39 0.72 3.70 -0.72 0.00 -0.08 -4.67 105.19 105.53 1kgp n GLY 276 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.08 2.73 0.68 1.61 2.02 -0.35 -4.98 117.35 116.98 1kgp s TYR 277 Ca 0.00 -0.29 -0.15 0.00 -0.37 0.00 0.00 57.07 56.26 1kgp s TYR 277 Cb 0.00 -1.42 0.01 0.00 -0.40 0.00 0.00 41.96 40.15 1kgp s TYR 277 CO 0.00 0.48 1.14 -1.83 -1.57 0.00 0.00 175.55 173.78 1kgp s GLU 278 N -3.77 2.60 0.92 -0.62 1.03 -1.26 -3.04 118.70 114.57 1kgp s GLU 278 Ca 0.34 1.52 -0.12 0.00 0.03 0.00 0.00 54.97 56.75 1kgp s GLU 278 Cb -0.05 -1.91 0.14 0.00 -0.80 0.00 0.00 34.13 31.51 1kgp s GLU 278 CO 0.21 -1.43 1.09 0.20 -1.33 0.00 0.00 175.26 174.01 1kgp s GLY 279 N -2.36 1.61 -0.06 -3.83 0.00 -1.26 -4.73 107.32 96.69 1kgp s GLY 279 Ca 0.70 -0.06 0.20 0.00 0.00 0.00 0.00 44.72 45.56 1kgp s GLY 279 CO 0.42 0.45 0.43 -0.10 0.00 0.00 0.00 173.10 174.30 1kgp n LEU 280 N -3.99 0.17 -4.43 0.66 7.94 -1.26 -4.94 117.00 111.16 1kgp n LEU 280 Ca 0.07 0.07 -0.33 0.00 -1.11 0.00 0.00 56.01 54.71 1kgp n LEU 280 Cb 0.55 0.17 -0.14 0.00 0.53 0.00 0.00 43.42 44.53 1kgp n LEU 280 CO 0.55 0.17 -0.46 -0.36 -1.11 0.00 0.00 177.39 176.18 1kgp s PHE 281 N -3.10 2.72 0.55 1.96 0.08 -1.26 -5.10 117.98 113.83 1kgp s PHE 281 Ca -0.07 -0.36 -0.21 0.00 0.12 0.00 0.00 56.93 56.41 1kgp s PHE 281 Cb 0.10 -1.70 -0.06 0.00 -0.57 0.00 0.00 43.02 40.80 1kgp s PHE 281 CO 0.86 0.02 1.16 -2.30 -0.10 0.00 0.00 175.22 174.86 1kgp n PRO 282 N 2.76 1.33 -0.35 0.24 -0.02 -1.26 -4.86 135.00 132.84 1kgp n PRO 282 Ca -0.17 0.49 0.11 0.00 -2.02 0.00 0.00 63.50 61.91 1kgp n PRO 282 Cb 0.52 -2.34 0.30 0.00 -0.02 0.00 0.00 33.50 31.96 1kgp n PRO 282 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1kgp h THR 283 N 1.07 0.76 0.00 3.45 2.02 -1.99 -1.44 112.91 116.79 1kgp h THR 283 Ca -0.49 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.41 1kgp h THR 283 Cb 1.33 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1kgp h THR 283 CO 0.55 0.15 0.00 -0.90 0.37 0.00 0.00 175.52 175.69 1kgp n ASP 284 N -4.73 0.42 -1.54 4.18 5.68 -1.26 -1.34 116.55 117.96 1kgp n ASP 284 Ca 0.22 0.68 0.09 0.00 -0.50 0.00 0.00 54.79 55.28 1kgp n ASP 284 Cb 0.51 -0.74 0.35 0.00 -1.14 0.00 0.00 41.12 40.10 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 -2.05 3.76 -0.86 0.11 1.02 -0.54 -4.36 120.64 117.72 1kgp n GLU 285 Ca -0.01 -2.88 0.05 0.00 -0.02 0.00 0.00 57.16 54.31 1kgp n GLU 285 Cb 0.05 -1.90 0.13 0.00 -0.02 0.00 0.00 31.44 29.70 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 0.98 1.30 -2.85 2.62 -2.24 -0.45 -4.71 114.28 108.93 1kgp n THR 286 Ca 0.25 -2.21 -0.44 0.00 -2.27 0.00 0.00 64.05 59.38 1kgp n THR 286 Cb 0.90 0.23 -0.00 0.00 -2.10 0.00 0.00 70.33 69.36 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 -1.91 4.07 0.48 -0.78 -0.14 -1.26 -4.70 119.74 115.50 1kgp s LYS 287 Ca 0.34 -2.44 -0.22 0.00 -1.36 0.00 0.00 55.97 52.30 1kgp s LYS 287 Cb 0.35 -5.19 -0.07 0.00 -1.68 0.00 0.00 37.83 31.24 1kgp s LYS 287 CO -0.09 -1.89 1.12 0.08 -0.76 0.00 0.00 175.35 173.80 1kgp s VAL 288 N 2.25 3.33 0.47 3.17 1.01 -1.26 -4.94 120.40 124.43 1kgp s VAL 288 Ca 0.46 0.92 -0.21 0.00 0.00 0.00 0.00 61.98 63.15 1kgp s VAL 288 Cb -0.01 -3.43 -0.11 0.00 0.00 0.00 0.00 36.38 32.83 1kgp s VAL 288 CO 0.02 -0.09 0.54 -1.54 0.00 0.00 0.00 175.10 174.03 1kgp n SER 289 N -0.74 -0.92 0.10 3.32 3.41 -1.26 -4.85 113.62 112.67 1kgp n SER 289 Ca 0.09 0.85 0.02 0.00 -0.26 0.00 0.00 58.87 59.57 1kgp n SER 289 Cb 0.50 -1.14 0.38 0.00 -0.26 0.00 0.00 64.21 63.69 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 0.63 0.29 -0.82 4.33 0.13 -2.01 -2.83 132.00 131.72 1kgp h PRO 290 Ca -0.42 -0.06 0.08 0.00 -0.87 0.00 0.00 66.00 64.72 1kgp h PRO 290 Cb 1.40 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.43 1kgp h PRO 290 CO 0.50 0.40 0.53 0.00 -0.23 0.00 0.00 178.00 179.20 1kgp h ALA 291 N 1.63 1.65 0.02 -0.56 0.00 -1.99 -1.24 119.26 118.77 1kgp h ALA 291 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1kgp h ALA 291 Cb 0.35 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1kgp h ALA 291 CO 0.02 0.21 -0.01 0.82 0.00 0.00 0.00 179.25 180.29 1kgp h ILE 292 N 0.85 1.27 -0.17 0.00 1.08 -1.83 -2.17 117.51 116.54 1kgp h ILE 292 Ca 0.36 -0.89 -0.07 0.00 -0.39 0.00 0.00 64.86 63.87 1kgp h ILE 292 Cb 0.31 1.87 -0.01 0.00 -3.07 0.00 0.00 36.82 35.92 1kgp h ILE 292 CO -0.14 0.23 -0.20 -0.07 -0.69 0.00 0.00 178.15 177.28 1kgp h LEU 293 N -0.41 0.29 -0.90 1.44 3.38 -1.55 -2.31 115.31 115.24 1kgp h LEU 293 Ca -0.00 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1kgp h LEU 293 Cb 0.39 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1kgp h LEU 293 CO 0.00 0.50 0.11 -1.28 0.09 0.00 0.00 178.44 177.87 1kgp h SER 294 N 0.27 0.87 0.39 -0.43 0.87 -1.19 -2.44 113.55 111.89 1kgp h SER 294 Ca 0.05 -0.18 -0.07 0.00 -1.23 0.00 0.00 61.79 60.35 1kgp h SER 294 Cb 0.51 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1kgp h SER 294 CO 0.03 0.87 -0.35 0.28 -0.53 0.00 0.00 176.83 177.13 1kgp h SER 295 N 0.87 0.00 0.71 6.23 0.02 -0.84 -2.13 113.55 118.41 1kgp h SER 295 Ca 0.18 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.04 1kgp h SER 295 Cb 0.36 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1kgp h SER 295 CO 0.01 0.35 -0.42 -0.07 -1.14 0.00 0.00 176.83 175.56 1kgp h LEU 296 N 0.00 0.00 -0.49 5.07 3.38 -1.13 -3.50 115.31 118.64 1kgp h LEU 296 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1kgp h LEU 296 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1kgp h LEU 296 CO 0.05 0.42 0.00 -0.24 0.09 0.00 0.00 178.44 178.75