#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9x h VAL 4 N 0.00 1.37 -3.58 6.31 2.07 -2.04 -3.43 116.25 116.95 1k9x h VAL 4 Ca 0.00 -2.02 -0.67 0.00 0.82 0.00 0.00 66.70 64.82 1k9x h VAL 4 Cb 0.00 2.38 -0.35 0.00 -1.52 0.00 0.00 31.29 31.80 1k9x h VAL 4 CO 0.00 0.61 -0.79 -0.36 0.02 0.00 0.00 177.57 177.04 1k9x s PHE 5 N -3.42 3.10 0.00 1.57 2.99 -1.26 -4.49 117.98 116.47 1k9x s PHE 5 Ca -0.12 -1.94 0.00 0.00 0.00 0.00 0.00 56.93 54.87 1k9x s PHE 5 Cb 0.05 -1.97 0.00 0.00 0.00 0.00 0.00 43.02 41.10 1k9x s PHE 5 CO 0.85 -0.82 0.00 1.04 -0.00 0.00 0.00 175.22 176.29 1k9x n GLN 6 N 4.55 0.00 -1.68 0.44 6.02 -1.26 -4.98 117.38 120.47 1k9x n GLN 6 Ca -0.16 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.39 1k9x n GLN 6 Cb 0.45 -0.96 -0.02 0.00 1.02 0.00 0.00 30.24 30.73 1k9x n GLN 6 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1k9x n ASN 7 N -2.48 2.75 -0.03 1.08 5.15 -1.26 -4.87 115.26 115.60 1k9x n ASN 7 Ca 0.00 1.17 -0.09 0.00 -0.60 0.00 0.00 54.58 55.07 1k9x n ASN 7 Cb 0.48 -1.45 -0.03 0.00 -0.53 0.00 0.00 39.78 38.25 1k9x n ASN 7 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1k9x h GLU 8 N 3.44 -0.08 -0.41 1.20 3.07 -1.99 -1.70 114.58 118.11 1k9x h GLU 8 Ca -0.45 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 58.46 1k9x h GLU 8 Cb 1.28 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 29.16 1k9x h GLU 8 CO 0.70 -0.05 0.13 1.15 -1.40 0.00 0.00 179.01 179.54 1k9x h THR 9 N -0.08 0.86 -0.27 1.13 2.02 -1.98 -0.08 112.91 114.50 1k9x h THR 9 Ca 0.10 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1k9x h THR 9 Cb 0.23 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1k9x h THR 9 CO -0.23 0.05 0.17 0.40 0.37 0.00 0.00 175.52 176.27 1k9x h ILE 10 N 0.29 1.08 -0.15 3.11 1.08 -1.86 -0.24 117.51 120.82 1k9x h ILE 10 Ca 0.19 -0.18 -0.02 0.00 -0.39 0.00 0.00 64.86 64.47 1k9x h ILE 10 Cb 0.18 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 1k9x h ILE 10 CO -0.20 0.08 0.03 0.11 -0.69 0.00 0.00 178.15 177.48 1k9x h LYS 11 N 0.37 0.24 -0.92 2.37 1.79 -0.16 -1.13 116.57 119.14 1k9x h LYS 11 Ca 0.10 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1k9x h LYS 11 Cb -0.01 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.56 1k9x h LYS 11 CO -0.02 0.41 0.57 1.96 -1.08 0.00 0.00 179.45 181.29 1k9x h GLN 12 N 0.03 1.24 -0.28 3.15 4.20 -0.15 -0.95 115.11 122.35 1k9x h GLN 12 Ca 0.05 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1k9x h GLN 12 Cb 0.28 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1k9x h GLN 12 CO 0.00 0.85 0.13 0.82 -0.67 0.00 0.00 178.83 179.96 1k9x h ILE 13 N 1.26 1.16 -0.64 2.54 2.04 -0.88 -2.63 117.51 120.37 1k9x h ILE 13 Ca 0.33 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.68 1k9x h ILE 13 Cb -0.09 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1k9x h ILE 13 CO -0.07 0.16 0.18 -0.07 0.00 0.00 0.00 178.15 178.36 1k9x h LEU 14 N 0.31 0.95 -0.60 1.44 3.38 -0.86 -0.81 115.31 119.13 1k9x h LEU 14 Ca 0.10 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.90 1k9x h LEU 14 Cb 0.14 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1k9x h LEU 14 CO -0.01 0.92 0.31 0.00 0.09 0.00 0.00 178.44 179.75 1k9x h ALA 15 N 1.07 0.79 -0.24 1.53 0.00 -1.04 -2.04 119.26 119.32 1k9x h ALA 15 Ca 0.20 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 1k9x h ALA 15 Cb 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1k9x h ALA 15 CO -0.00 -0.03 -0.47 0.87 0.00 0.00 0.00 179.25 179.62 1k9x h LYS 16 N 0.59 0.63 0.00 0.00 1.57 -1.31 -3.17 116.57 114.88 1k9x h LYS 16 Ca 0.27 -0.36 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1k9x h LYS 16 Cb 0.18 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1k9x h LYS 16 CO -0.18 0.96 -0.12 -0.92 -0.57 0.00 0.00 179.45 178.62 1k9x h TYR 17 N 0.50 0.00 -0.65 -1.35 3.20 -0.47 -2.37 116.97 115.84 1k9x h TYR 17 Ca 0.03 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.04 1k9x h TYR 17 Cb 1.01 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.24 1k9x h TYR 17 CO 0.05 0.12 0.44 0.00 -1.64 0.00 0.00 178.16 177.13 1k9x h ARG 18 N 0.00 0.25 0.10 1.82 3.08 -1.38 1.09 114.38 119.34 1k9x h ARG 18 Ca -0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1k9x h ARG 18 Cb 0.22 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1k9x h ARG 18 CO 0.02 0.17 -0.05 -0.09 -1.07 0.00 0.00 179.97 178.95 1k9x h ARG 19 N 0.26 -0.13 -0.33 0.04 2.43 -1.61 0.23 114.38 115.27 1k9x h ARG 19 Ca 0.31 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.50 1k9x h ARG 19 Cb 0.86 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 1k9x h ARG 19 CO -0.07 0.18 0.20 0.82 -1.51 0.00 0.00 179.97 179.60 1k9x h ILE 20 N -0.46 1.05 -0.72 1.20 2.04 -1.03 -1.83 117.51 117.76 1k9x h ILE 20 Ca -0.01 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.78 1k9x h ILE 20 Cb 0.38 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 1k9x h ILE 20 CO 0.02 0.08 0.40 -0.25 0.00 0.00 0.00 178.15 178.40 1k9x h TRP 21 N 0.41 0.73 -1.00 1.37 7.01 0.12 -2.21 115.95 122.39 1k9x h TRP 21 Ca 0.13 0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.20 1k9x h TRP 21 Cb -0.02 -0.22 -0.06 0.00 -2.10 0.00 0.00 29.16 26.76 1k9x h TRP 21 CO -0.07 0.33 0.65 0.00 -2.79 0.00 0.00 178.44 176.56 1k9x h ALA 22 N 1.39 1.34 -0.33 2.65 0.00 0.27 -1.57 119.26 123.01 1k9x h ALA 22 Ca 0.33 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 1k9x h ALA 22 Cb 0.25 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1k9x h ALA 22 CO -0.21 0.52 -0.18 0.82 0.00 0.00 0.00 179.25 180.20 1k9x h ILE 23 N 1.24 1.26 -0.30 0.00 2.04 -0.86 -1.12 117.51 119.76 1k9x h ILE 23 Ca 0.41 -1.20 -0.10 0.00 1.00 0.00 0.00 64.86 64.97 1k9x h ILE 23 Cb 0.04 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1k9x h ILE 23 CO -0.14 0.39 -0.23 1.23 0.00 0.00 0.00 178.15 179.41 1k9x h GLY 24 N 0.98 0.63 0.80 5.37 0.00 -1.00 0.58 103.07 110.43 1k9x h GLY 24 Ca 0.09 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1k9x h GLY 24 CO 0.04 0.47 0.01 0.84 0.00 0.00 0.00 176.54 177.90 1k9x h HIS 25 N 0.51 0.04 0.04 5.60 -0.00 -0.86 0.36 115.15 120.85 1k9x h HIS 25 Ca 0.08 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.46 1k9x h HIS 25 Cb 0.67 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 28.05 1k9x h HIS 25 CO 0.03 0.24 -0.12 0.00 -0.00 0.00 0.00 177.93 178.08 1k9x h ALA 26 N 0.80 -0.17 -0.96 5.26 0.00 -0.81 -1.68 119.26 121.70 1k9x h ALA 26 Ca 0.01 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1k9x h ALA 26 Cb 0.22 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 1k9x h ALA 26 CO -0.00 -0.62 0.61 1.96 0.00 0.00 0.00 179.25 181.20 1k9x h GLN 27 N -0.22 0.84 -0.59 0.00 1.08 0.34 0.25 115.11 116.80 1k9x h GLN 27 Ca 0.03 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.10 1k9x h GLN 27 Cb 0.25 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 1k9x h GLN 27 CO -0.08 0.56 0.07 0.77 -0.95 0.00 0.00 178.83 179.20 1k9x h SER 28 N 0.87 0.96 -0.21 1.46 0.02 -0.39 0.41 113.55 116.66 1k9x h SER 28 Ca 0.49 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1k9x h SER 28 Cb 0.60 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1k9x h SER 28 CO -0.25 0.99 -0.03 0.58 -1.14 0.00 0.00 176.83 176.98 1k9x h VAL 29 N 0.89 1.27 -0.85 2.27 2.07 -0.32 0.17 116.25 121.75 1k9x h VAL 29 Ca 0.18 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1k9x h VAL 29 Cb 0.45 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 1k9x h VAL 29 CO 0.02 0.29 0.55 -0.07 0.02 0.00 0.00 177.57 178.38 1k9x h LEU 30 N 0.13 0.99 -0.20 2.57 4.07 -0.87 0.84 115.31 122.84 1k9x h LEU 30 Ca 0.06 -0.04 -0.05 0.00 0.08 0.00 0.00 57.88 57.93 1k9x h LEU 30 Cb 0.45 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 1k9x h LEU 30 CO 0.02 0.73 -0.09 1.23 -1.08 0.00 0.00 178.44 179.25 1k9x h GLY 31 N 1.16 0.44 0.78 0.83 0.00 -0.67 -1.81 103.07 103.80 1k9x h GLY 31 Ca 0.31 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1k9x h GLY 31 CO -0.06 0.36 0.00 -0.25 0.00 0.00 0.00 176.54 176.58 1k9x h TRP 32 N 0.11 0.00 -0.88 5.60 7.01 -0.70 -3.05 115.95 124.05 1k9x h TRP 32 Ca 0.05 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.09 1k9x h TRP 32 Cb 0.57 -0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 27.57 1k9x h TRP 32 CO 0.06 0.22 0.56 0.22 -2.79 0.00 0.00 178.44 176.71 1k9x h ASP 33 N -0.21 0.91 -0.72 2.65 1.82 -0.87 -0.98 116.42 119.02 1k9x h ASP 33 Ca 0.00 0.00 0.09 0.00 -0.39 0.00 0.00 57.03 56.74 1k9x h ASP 33 Cb 0.22 -0.19 -0.07 0.00 0.68 0.00 0.00 39.33 39.96 1k9x h ASP 33 CO -0.00 0.61 0.36 0.25 -1.61 0.00 0.00 179.24 178.85 1k9x h LEU 34 N 1.06 0.47 -0.08 2.28 5.85 -1.25 0.25 115.31 123.88 1k9x h LEU 34 Ca 0.36 0.06 -0.20 0.00 0.84 0.00 0.00 57.88 58.94 1k9x h LEU 34 Cb 0.07 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1k9x h LEU 34 CO -0.14 0.27 -0.96 -0.33 -0.34 0.00 0.00 178.44 176.94 1k9x h GLU 35 N 0.61 0.00 0.01 1.25 4.39 -1.32 -3.38 114.58 116.14 1k9x h GLU 35 Ca 0.35 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.66 1k9x h GLU 35 Cb 0.37 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.96 1k9x h GLU 35 CO -0.27 0.96 -2.21 0.28 -1.16 0.00 0.00 179.01 176.61 1k9x n VAL 36 N -3.40 1.54 -0.00 3.13 0.31 -0.43 -4.51 118.33 114.97 1k9x n VAL 36 Ca -0.00 -0.35 -0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1k9x n VAL 36 Cb 0.91 -1.84 -0.01 0.00 -0.91 0.00 0.00 33.84 31.99 1k9x n VAL 36 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1k9x n ASN 37 N -4.09 4.75 -4.68 4.52 3.02 -0.04 -4.97 115.26 113.77 1k9x n ASN 37 Ca -0.47 0.00 -0.54 0.00 -0.03 0.00 0.00 54.58 53.54 1k9x n ASN 37 Cb 0.87 0.60 -0.06 0.00 -0.61 0.00 0.00 39.78 40.57 1k9x n ASN 37 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1k9x n MET 38 N -1.97 1.41 -1.79 3.52 1.56 -0.49 -4.91 117.12 114.46 1k9x n MET 38 Ca -0.01 0.51 -0.42 0.00 -0.27 0.00 0.00 57.70 57.51 1k9x n MET 38 Cb 0.46 -2.23 -0.02 0.00 2.15 0.00 0.00 33.22 33.59 1k9x n MET 38 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1k9x s PRO 39 N 2.81 4.13 0.36 2.12 0.04 -1.26 -4.85 135.00 138.36 1k9x s PRO 39 Ca 0.93 2.56 0.19 0.00 0.04 0.00 0.00 61.00 64.72 1k9x s PRO 39 Cb -0.95 -3.05 1.25 0.00 0.04 0.00 0.00 34.50 31.79 1k9x s PRO 39 CO 0.57 -0.65 1.62 1.57 0.04 0.00 0.00 177.00 180.15 1k9x h LYS 40 N 5.44 0.13 0.00 4.56 5.09 -1.97 0.29 116.57 130.12 1k9x h LYS 40 Ca -0.46 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.27 1k9x h LYS 40 Cb 1.21 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 33.51 1k9x h LYS 40 CO 0.84 0.09 0.00 0.39 -2.09 0.00 0.00 179.45 178.68 1k9x n GLU 41 N -5.15 0.63 0.00 0.07 1.02 -1.26 -2.58 120.64 113.37 1k9x n GLU 41 Ca 0.35 0.02 0.14 0.00 -0.02 0.00 0.00 57.16 57.65 1k9x n GLU 41 Cb 1.18 -1.50 0.64 0.00 -0.02 0.00 0.00 31.44 31.74 1k9x n GLU 41 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k9x n GLY 42 N 0.47 -1.36 0.30 0.62 0.00 0.10 -4.07 105.19 101.25 1k9x n GLY 42 Ca 0.16 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.11 1k9x n GLY 42 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1k9x h ILE 43 N 0.00 0.84 -0.11 -0.61 6.09 -1.67 -1.37 117.51 120.68 1k9x h ILE 43 Ca 0.00 -0.24 -0.00 0.00 -1.37 0.00 0.00 64.86 63.25 1k9x h ILE 43 Cb 0.39 0.07 -0.01 0.00 0.47 0.00 0.00 36.82 37.75 1k9x h ILE 43 CO 0.00 0.13 0.07 0.25 -3.07 0.00 0.00 178.15 175.52 1k9x h LEU 44 N 0.71 0.13 -0.37 2.19 5.85 -1.86 -1.23 115.31 120.73 1k9x h LEU 44 Ca 0.41 -0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.90 1k9x h LEU 44 Cb 0.45 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1k9x h LEU 44 CO -0.29 0.14 -0.69 -0.33 -0.34 0.00 0.00 178.44 176.93 1k9x h GLU 45 N 0.11 0.55 -0.78 1.25 5.08 -1.79 -2.96 114.58 116.04 1k9x h GLU 45 Ca 0.04 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1k9x h GLU 45 Cb 0.03 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1k9x h GLU 45 CO -0.01 1.04 0.46 -0.09 -1.00 0.00 0.00 179.01 179.42 1k9x h ARG 46 N 0.39 1.07 -0.11 2.33 9.65 -1.19 -2.27 114.38 124.25 1k9x h ARG 46 Ca -0.02 -0.10 0.04 0.00 -1.10 0.00 0.00 59.98 58.79 1k9x h ARG 46 Cb 1.27 -0.22 -0.04 0.00 -1.39 0.00 0.00 29.97 29.59 1k9x h ARG 46 CO 0.13 0.76 -0.15 0.77 2.80 0.00 0.00 179.97 184.28 1k9x h SER 47 N 1.07 -0.45 0.67 -3.80 0.02 -1.09 0.47 113.55 110.44 1k9x h SER 47 Ca 0.28 0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 61.22 1k9x h SER 47 Cb -0.02 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1k9x h SER 47 CO -0.05 -0.19 -0.42 -0.37 -1.14 0.00 0.00 176.83 174.66 1k9x h VAL 48 N -0.19 1.07 -0.18 2.27 -1.51 -1.44 -0.58 116.25 115.69 1k9x h VAL 48 Ca 0.08 -1.56 -0.02 0.00 -1.23 0.00 0.00 66.70 63.98 1k9x h VAL 48 Cb 0.31 1.90 -0.01 0.00 -2.13 0.00 0.00 31.29 31.36 1k9x h VAL 48 CO -0.22 0.41 0.03 0.00 -1.23 0.00 0.00 177.57 176.55 1k9x h ALA 49 N 1.58 0.24 -0.72 5.19 0.00 -0.76 -0.37 119.26 124.41 1k9x h ALA 49 Ca -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1k9x h ALA 49 Cb 0.86 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1k9x h ALA 49 CO 0.05 -0.09 0.33 1.96 0.00 0.00 0.00 179.25 181.50 1k9x h GLN 50 N 0.08 1.06 -0.21 0.00 4.20 -0.68 -1.86 115.11 117.69 1k9x h GLN 50 Ca 0.05 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1k9x h GLN 50 Cb 0.32 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1k9x h GLN 50 CO 0.00 0.84 0.11 0.78 -0.67 0.00 0.00 178.83 179.90 1k9x h GLY 51 N 1.02 0.32 1.50 3.46 0.00 -0.92 -1.63 103.07 106.82 1k9x h GLY 51 Ca 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 1k9x h GLY 51 CO -0.03 0.14 0.19 0.83 0.00 0.00 0.00 176.54 177.67 1k9x h GLU 52 N 0.23 0.65 -0.36 4.80 4.39 -0.90 -2.22 114.58 121.16 1k9x h GLU 52 Ca 0.07 -0.09 -0.16 0.00 0.34 0.00 0.00 59.36 59.53 1k9x h GLU 52 Cb 0.09 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1k9x h GLU 52 CO -0.01 0.53 -0.41 -0.07 -1.16 0.00 0.00 179.01 177.89 1k9x h LEU 53 N 0.65 0.97 -0.94 1.33 3.38 -1.02 -1.86 115.31 117.82 1k9x h LEU 53 Ca 0.16 -0.45 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 1k9x h LEU 53 Cb 0.12 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1k9x h LEU 53 CO -0.02 1.25 0.10 0.28 0.09 0.00 0.00 178.44 180.14 1k9x h SER 54 N 0.73 0.83 -0.00 -0.43 0.02 -1.00 0.22 113.55 113.91 1k9x h SER 54 Ca 0.05 -0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 60.76 1k9x h SER 54 Cb 1.00 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 1k9x h SER 54 CO 0.10 0.83 -0.22 0.58 -1.14 0.00 0.00 176.83 176.98 1k9x h VAL 55 N 0.84 1.24 0.47 2.27 2.07 -1.30 -1.61 116.25 120.24 1k9x h VAL 55 Ca 0.18 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 1k9x h VAL 55 Cb 0.35 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1k9x h VAL 55 CO 0.00 0.36 -0.23 0.25 0.02 0.00 0.00 177.57 177.98 1k9x h LEU 56 N 0.34 -0.53 -1.39 2.57 6.46 -0.33 -1.94 115.31 120.49 1k9x h LEU 56 Ca 0.06 0.02 0.18 0.00 -0.12 0.00 0.00 57.88 58.02 1k9x h LEU 56 Cb 0.58 0.14 -0.07 0.00 -0.73 0.00 0.00 40.66 40.58 1k9x h LEU 56 CO 0.04 -0.18 0.59 0.77 -0.62 0.00 0.00 178.44 179.04 1k9x h SER 57 N -1.03 0.52 0.46 1.25 4.64 -0.63 0.40 113.55 119.16 1k9x h SER 57 Ca -0.06 0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.21 1k9x h SER 57 Cb 0.48 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1k9x h SER 57 CO 0.11 0.22 -0.43 -0.74 -0.87 0.00 0.00 176.83 175.12 1k9x h HIS 58 N 0.53 0.00 -0.02 4.77 -0.00 -1.30 -1.66 115.15 117.47 1k9x h HIS 58 Ca 0.47 0.00 -0.22 0.00 -0.00 0.00 0.00 60.37 60.62 1k9x h HIS 58 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.41 1k9x h HIS 58 CO -0.00 0.43 -0.90 1.49 -0.00 0.00 0.00 177.93 178.95 1k9x h GLU 59 N 0.00 0.44 -0.01 5.26 4.81 0.57 -3.07 114.58 122.58 1k9x h GLU 59 Ca -0.00 -0.44 -0.21 0.00 -0.13 0.00 0.00 59.36 58.58 1k9x h GLU 59 Cb 0.77 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 1k9x h GLU 59 CO 0.06 1.10 -0.88 -0.07 -0.73 0.00 0.00 179.01 178.49 1k9x h LEU 60 N 0.26 0.41 -1.28 1.64 3.38 -1.02 -1.47 115.31 117.23 1k9x h LEU 60 Ca -0.07 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 1k9x h LEU 60 Cb 1.52 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1k9x h LEU 60 CO 0.16 1.10 -0.31 0.25 0.09 0.00 0.00 178.44 179.73 1k9x h LEU 61 N 0.19 0.08 -2.86 1.67 5.85 -1.35 -2.72 115.31 116.17 1k9x h LEU 61 Ca -0.06 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1k9x h LEU 61 Cb 1.50 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.50 1k9x h LEU 61 CO 0.14 0.39 0.00 0.18 -0.34 0.00 0.00 178.44 178.82 1k9x n LEU 62 N -4.15 3.49 -4.73 2.25 4.32 -1.16 -4.51 117.00 112.51 1k9x n LEU 62 Ca -0.02 -2.06 -0.42 0.00 -0.02 0.00 0.00 56.01 53.49 1k9x n LEU 62 Cb 0.37 -0.37 -0.02 0.00 -1.62 0.00 0.00 43.42 41.78 1k9x n LEU 62 CO 0.39 0.84 1.26 1.57 -1.22 0.00 0.00 177.39 180.23 1k9x n HIS 63 N 0.98 2.72 -0.31 -1.77 -0.00 -0.56 -4.78 115.22 111.50 1k9x n HIS 63 Ca 0.18 0.21 0.02 0.00 0.46 0.00 0.00 57.72 58.58 1k9x n HIS 63 Cb 0.55 -2.60 0.09 0.00 -0.12 0.00 0.00 29.99 27.90 1k9x n HIS 63 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1k9x h PRO 64 N 5.40 -0.02 0.00 1.57 0.11 -1.91 0.68 132.00 137.83 1k9x h PRO 64 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1k9x h PRO 64 Cb 1.22 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1k9x h PRO 64 CO 0.84 -0.01 0.00 0.93 -0.21 0.00 0.00 178.00 179.55 1k9x h GLU 65 N -0.02 0.00 0.00 1.05 5.08 -1.97 -2.50 114.58 116.22 1k9x h GLU 65 Ca 0.38 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.60 1k9x h GLU 65 Cb 0.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1k9x h GLU 65 CO -0.88 0.00 -0.83 0.35 -1.00 0.00 0.00 179.01 176.65 1k9x h PHE 66 N 0.00 0.00 -0.87 4.33 3.57 -1.20 -3.23 116.94 119.55 1k9x h PHE 66 Ca 0.00 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1k9x h PHE 66 Cb 0.34 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 1k9x h PHE 66 CO 0.00 1.07 0.57 -0.39 -2.23 0.00 0.00 178.31 177.33 1k9x h VAL 67 N -1.00 1.15 -0.12 1.41 -1.51 -1.46 -1.48 116.25 113.23 1k9x h VAL 67 Ca -0.21 -0.37 0.04 0.00 -1.23 0.00 0.00 66.70 64.93 1k9x h VAL 67 Cb 1.04 -0.04 -0.04 0.00 -2.13 0.00 0.00 31.29 30.12 1k9x h VAL 67 CO -0.12 0.20 -0.13 -1.13 -1.23 0.00 0.00 177.57 175.15 1k9x h ASN 68 N 1.09 -0.41 -0.81 4.19 -0.73 -1.60 0.13 115.58 117.43 1k9x h ASN 68 Ca 0.34 0.08 0.01 0.00 1.87 0.00 0.00 56.30 58.61 1k9x h ASN 68 Cb 0.02 0.20 -0.04 0.00 0.27 0.00 0.00 38.32 38.77 1k9x h ASN 68 CO -0.10 -0.18 0.53 -0.07 -0.37 0.00 0.00 177.43 177.24 1k9x h LEU 69 N -0.16 0.91 -1.19 0.34 3.38 -1.36 0.39 115.31 117.62 1k9x h LEU 69 Ca 0.09 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1k9x h LEU 69 Cb 0.29 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1k9x h LEU 69 CO -0.22 0.65 0.21 0.58 0.09 0.00 0.00 178.44 179.75 1k9x h VAL 70 N 1.07 1.20 -0.36 1.22 2.07 -0.61 0.39 116.25 121.24 1k9x h VAL 70 Ca 0.30 -0.62 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 1k9x h VAL 70 Cb -0.10 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1k9x h VAL 70 CO -0.08 0.24 -0.15 -0.33 0.02 0.00 0.00 177.57 177.28 1k9x h GLU 71 N 0.77 0.73 -0.49 1.57 4.39 0.25 -1.27 114.58 120.54 1k9x h GLU 71 Ca 0.18 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 1k9x h GLU 71 Cb 0.16 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1k9x h GLU 71 CO -0.02 0.92 0.25 -0.22 -1.16 0.00 0.00 179.01 178.78 1k9x h LYS 72 N 0.52 0.70 -0.29 2.33 3.64 -0.42 -2.15 116.57 120.90 1k9x h LYS 72 Ca 0.08 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1k9x h LYS 72 Cb 0.69 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1k9x h LYS 72 CO 0.05 0.57 0.09 0.00 -2.27 0.00 0.00 179.45 177.89 1k9x h ALA 73 N 1.09 1.62 0.00 5.00 0.00 -0.81 -1.43 119.26 124.73 1k9x h ALA 73 Ca 0.17 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1k9x h ALA 73 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1k9x h ALA 73 CO -0.02 0.30 -0.22 -0.22 0.00 0.00 0.00 179.25 179.08 1k9x h LYS 74 N 0.40 0.00 0.00 0.00 3.64 -0.58 -2.87 116.57 117.17 1k9x h LYS 74 Ca 0.10 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.32 1k9x h LYS 74 Cb 0.13 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1k9x h LYS 74 CO -0.01 0.22 -0.78 0.78 -2.27 0.00 0.00 179.45 177.39 1k9x h GLY 75 N 1.33 0.00 -1.93 5.01 0.00 -0.94 -3.47 103.07 103.07 1k9x h GLY 75 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 1k9x h GLY 75 CO 0.03 0.00 -0.21 1.04 0.00 0.00 0.00 176.54 177.40 1k9x n LEU 76 N -3.28 1.61 0.00 3.11 4.77 -1.08 -4.98 117.00 117.16 1k9x n LEU 76 Ca 0.00 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1k9x n LEU 76 Cb 0.84 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1k9x n LEU 76 CO 0.44 -2.85 0.17 -0.62 -1.33 0.00 0.00 177.39 173.20 1k9x n GLU 77 N -2.18 0.06 -0.20 3.23 1.02 -1.26 -4.78 120.64 116.53 1k9x n GLU 77 Ca 0.10 -0.34 0.06 0.00 -0.02 0.00 0.00 57.16 56.95 1k9x n GLU 77 Cb 0.52 -0.83 0.15 0.00 -0.02 0.00 0.00 31.44 31.26 1k9x n GLU 77 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1k9x n ASN 78 N -0.11 2.93 -4.76 1.62 0.23 -1.26 -5.05 115.26 108.87 1k9x n ASN 78 Ca 0.00 -2.36 -0.36 0.00 -0.53 0.00 0.00 54.58 51.33 1k9x n ASN 78 Cb 0.05 -0.28 0.02 0.00 -2.08 0.00 0.00 39.78 37.48 1k9x n ASN 78 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1k9x s LEU 79 N -1.64 3.70 0.70 -4.53 1.43 -1.26 -5.04 118.68 112.04 1k9x s LEU 79 Ca 0.24 2.33 -0.05 0.00 -1.03 0.00 0.00 54.13 55.62 1k9x s LEU 79 Cb 0.17 -4.58 0.07 0.00 0.03 0.00 0.00 46.19 41.88 1k9x s LEU 79 CO 0.10 -1.46 0.99 0.54 0.23 0.00 0.00 176.35 176.75 1k9x s ASN 80 N -1.63 4.73 0.34 2.29 2.20 -1.26 -4.79 114.94 116.82 1k9x s ASN 80 Ca 0.76 0.26 0.07 0.00 -0.94 0.00 0.00 52.86 53.00 1k9x s ASN 80 Cb -0.28 -0.87 0.74 0.00 -2.00 0.00 0.00 41.25 38.83 1k9x s ASN 80 CO 0.31 -1.62 1.88 1.05 -2.94 0.00 0.00 177.10 175.78 1k9x h GLU 81 N -0.54 0.75 -0.35 3.55 9.09 -1.96 0.45 114.58 125.58 1k9x h GLU 81 Ca -0.43 -0.05 -0.03 0.00 0.05 0.00 0.00 59.36 58.91 1k9x h GLU 81 Cb 1.30 -0.17 -0.01 0.00 -1.65 0.00 0.00 28.75 28.22 1k9x h GLU 81 CO 0.55 0.50 0.11 1.88 0.05 0.00 0.00 179.01 182.10 1k9x h TYR 82 N 0.78 0.55 -0.25 2.06 -1.99 -1.94 -1.22 116.97 114.97 1k9x h TYR 82 Ca 0.44 -0.05 -0.13 0.00 2.00 0.00 0.00 58.73 60.98 1k9x h TYR 82 Cb 0.59 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 39.15 1k9x h TYR 82 CO -0.00 0.54 -0.39 0.93 -0.00 0.00 0.00 178.16 179.24 1k9x h GLU 83 N 0.41 0.58 -0.26 4.88 5.08 -1.55 -2.38 114.58 121.34 1k9x h GLU 83 Ca 0.11 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 1k9x h GLU 83 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1k9x h GLU 83 CO -0.00 0.87 -0.14 0.00 -1.00 0.00 0.00 179.01 178.74 1k9x h ARG 84 N 0.48 0.44 -0.72 2.33 3.08 -0.80 -2.17 114.38 117.01 1k9x h ARG 84 Ca 0.04 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1k9x h ARG 84 Cb 0.89 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.86 1k9x h ARG 84 CO 0.08 0.58 0.30 0.78 -1.07 0.00 0.00 179.97 180.63 1k9x h GLY 85 N 0.91 1.16 1.03 0.04 0.00 -0.74 -0.49 103.07 104.98 1k9x h GLY 85 Ca 0.07 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 1k9x h GLY 85 CO 0.03 0.59 0.39 -2.22 0.00 0.00 0.00 176.54 175.32 1k9x h ILE 86 N 1.04 1.25 -0.07 2.60 2.04 -0.95 -1.94 117.51 121.47 1k9x h ILE 86 Ca 0.24 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1k9x h ILE 86 Cb 0.20 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1k9x h ILE 86 CO -0.02 0.31 0.01 0.58 0.00 0.00 0.00 178.15 179.02 1k9x h VAL 87 N 1.16 1.23 0.19 1.67 2.07 -1.01 -2.36 116.25 119.19 1k9x h VAL 87 Ca 0.28 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 67.11 1k9x h VAL 87 Cb 0.13 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1k9x h VAL 87 CO -0.03 0.20 -0.25 -0.09 0.02 0.00 0.00 177.57 177.41 1k9x h ARG 88 N -0.13 -0.48 0.24 1.57 2.43 -0.88 0.02 114.38 117.14 1k9x h ARG 88 Ca 0.02 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1k9x h ARG 88 Cb 0.30 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1k9x h ARG 88 CO 0.00 -0.32 -0.24 0.28 -1.51 0.00 0.00 179.97 178.18 1k9x h VAL 89 N -0.50 0.47 -0.86 0.20 2.07 -1.41 -1.17 116.25 115.04 1k9x h VAL 89 Ca 0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.60 1k9x h VAL 89 Cb 0.49 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 1k9x h VAL 89 CO -0.10 0.00 0.53 -0.07 0.02 0.00 0.00 177.57 177.95 1k9x h LEU 90 N -0.52 0.81 -0.57 2.57 3.38 -1.33 -1.83 115.31 117.83 1k9x h LEU 90 Ca -0.00 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1k9x h LEU 90 Cb 0.48 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1k9x h LEU 90 CO -0.06 0.51 0.37 -0.78 0.09 0.00 0.00 178.44 178.56 1k9x h ASP 91 N 0.94 0.62 0.23 -0.43 -0.00 -0.66 -0.51 116.42 116.61 1k9x h ASP 91 Ca 0.39 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.03 57.40 1k9x h ASP 91 Cb 0.23 -0.14 0.00 0.00 -0.00 0.00 0.00 39.33 39.41 1k9x h ASP 91 CO -0.19 0.44 -0.11 -0.09 -0.00 0.00 0.00 179.24 179.29 1k9x h ARG 92 N 0.74 -0.29 -0.30 0.28 2.43 -0.46 -0.63 114.38 116.15 1k9x h ARG 92 Ca 0.22 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.47 1k9x h ARG 92 Cb -0.04 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.52 1k9x h ARG 92 CO -0.07 -0.17 -0.06 0.77 -1.51 0.00 0.00 179.97 178.93 1k9x h SER 93 N -0.33 -0.25 -0.70 -3.80 0.02 -1.13 -1.06 113.55 106.30 1k9x h SER 93 Ca -0.03 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1k9x h SER 93 Cb 0.26 0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 1k9x h SER 93 CO 0.05 -0.09 0.43 0.40 -1.14 0.00 0.00 176.83 176.48 1k9x h ILE 94 N 0.02 1.20 -0.22 3.27 2.04 -0.94 0.39 117.51 123.26 1k9x h ILE 94 Ca 0.15 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 1k9x h ILE 94 Cb 0.22 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1k9x h ILE 94 CO -0.30 0.20 -0.02 -0.09 0.00 0.00 0.00 178.15 177.94 1k9x h ARG 95 N 0.97 0.39 -0.09 2.37 2.43 -0.24 -2.48 114.38 117.74 1k9x h ARG 95 Ca 0.25 -0.14 -0.12 0.00 -0.81 0.00 0.00 59.98 59.16 1k9x h ARG 95 Cb -0.05 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1k9x h ARG 95 CO -0.05 0.61 -0.50 0.82 -1.51 0.00 0.00 179.97 179.34 1k9x h ILE 96 N 0.14 1.35 -0.41 1.20 2.04 -0.94 -2.06 117.51 118.82 1k9x h ILE 96 Ca 0.06 -1.73 -0.06 0.00 1.00 0.00 0.00 64.86 64.13 1k9x h ILE 96 Cb 0.44 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 1k9x h ILE 96 CO 0.02 0.51 0.01 0.00 0.00 0.00 0.00 178.15 178.69 1k9x h ALA 97 N 1.30 1.27 -0.26 1.87 0.00 -0.08 -3.18 119.26 120.17 1k9x h ALA 97 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1k9x h ALA 97 Cb 0.94 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1k9x h ALA 97 CO 0.08 0.50 0.00 2.89 0.00 0.00 0.00 179.25 182.71 1k9x n ARG 98 N -4.26 2.85 0.13 0.00 1.85 -0.95 -4.55 116.66 111.73 1k9x n ARG 98 Ca 0.02 -2.61 -0.01 0.00 -1.00 0.00 0.00 57.85 54.25 1k9x n ARG 98 Cb 0.26 -1.67 0.11 0.00 -1.05 0.00 0.00 32.46 30.10 1k9x n ARG 98 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1k9x h ALA 99 N 1.74 0.77 -3.17 2.89 0.00 -1.35 -3.43 119.26 116.70 1k9x h ALA 99 Ca 0.00 -0.60 -0.63 0.00 0.00 0.00 0.00 54.91 53.68 1k9x h ALA 99 Cb 1.23 -0.11 -0.20 0.00 0.00 0.00 0.00 17.79 18.72 1k9x h ALA 99 CO 0.15 0.82 -0.61 -0.06 0.00 0.00 0.00 179.25 179.55 1k9x s PHE 100 N -3.28 3.13 0.51 0.00 0.40 -1.26 -4.73 117.98 112.76 1k9x s PHE 100 Ca 0.00 -0.20 -0.23 0.00 -0.60 0.00 0.00 56.93 55.90 1k9x s PHE 100 Cb 0.11 -2.10 -0.06 0.00 0.51 0.00 0.00 43.02 41.48 1k9x s PHE 100 CO 0.76 -0.08 1.31 -2.30 0.70 0.00 0.00 175.22 175.61 1k9x n PRO 101 N 4.00 1.73 -0.13 0.24 -0.02 -1.26 -4.81 135.00 134.76 1k9x n PRO 101 Ca -0.17 0.63 0.26 0.00 -2.02 0.00 0.00 63.50 62.20 1k9x n PRO 101 Cb 0.52 -2.50 0.71 0.00 -0.02 0.00 0.00 33.50 32.22 1k9x n PRO 101 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1k9x h PRO 102 N 1.59 0.01 0.00 0.52 0.13 -1.98 0.13 132.00 132.40 1k9x h PRO 102 Ca -0.50 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 1k9x h PRO 102 Cb 1.30 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1k9x h PRO 102 CO 0.58 0.00 -0.17 1.05 -0.23 0.00 0.00 178.00 179.23 1k9x h GLU 103 N 0.01 0.00 0.00 0.86 9.09 -2.01 -2.96 114.58 119.57 1k9x h GLU 103 Ca 0.38 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.75 1k9x h GLU 103 Cb 1.50 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.60 1k9x h GLU 103 CO -0.01 0.17 -0.29 0.35 0.05 0.00 0.00 179.01 179.28 1k9x h PHE 104 N 0.00 0.00 0.02 2.06 3.57 -1.09 -3.04 116.94 118.46 1k9x h PHE 104 Ca -0.00 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.29 1k9x h PHE 104 Cb 1.04 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 1k9x h PHE 104 CO 0.00 0.18 -0.94 0.82 -2.23 0.00 0.00 178.31 176.14 1k9x h ILE 105 N 0.00 1.49 0.63 1.41 2.04 -1.31 -2.25 117.51 119.52 1k9x h ILE 105 Ca -0.01 -2.68 -0.03 0.00 1.00 0.00 0.00 64.86 63.14 1k9x h ILE 105 Cb 1.14 2.53 0.01 0.00 -0.74 0.00 0.00 36.82 39.76 1k9x h ILE 105 CO 0.02 0.78 -0.30 0.03 0.00 0.00 0.00 178.15 178.69 1k9x h ARG 106 N 0.12 -0.81 -0.58 2.37 3.08 -1.54 -0.03 114.38 116.99 1k9x h ARG 106 Ca -0.06 0.06 0.11 0.00 0.07 0.00 0.00 59.98 60.16 1k9x h ARG 106 Cb 1.59 0.18 -0.11 0.00 0.08 0.00 0.00 29.97 31.71 1k9x h ARG 106 CO 0.15 -0.50 -0.23 1.49 -1.07 0.00 0.00 179.97 179.81 1k9x h GLU 107 N -1.10 -0.08 -0.87 0.04 4.81 -1.61 0.72 114.58 116.49 1k9x h GLU 107 Ca -0.09 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1k9x h GLU 107 Cb 0.69 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.04 1k9x h GLU 107 CO 0.14 -0.05 0.57 0.28 -0.73 0.00 0.00 179.01 179.21 1k9x h VAL 108 N -0.09 1.18 -0.12 0.32 2.07 -1.36 -0.07 116.25 118.17 1k9x h VAL 108 Ca 0.27 -0.39 -0.16 0.00 0.82 0.00 0.00 66.70 67.24 1k9x h VAL 108 Cb 0.50 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1k9x h VAL 108 CO -0.64 0.21 -0.60 -1.28 0.02 0.00 0.00 177.57 175.27 1k9x h SER 109 N 1.12 0.47 0.47 0.57 0.87 0.12 -2.15 113.55 115.03 1k9x h SER 109 Ca 0.33 -0.27 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1k9x h SER 109 Cb -0.06 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 1k9x h SER 109 CO -0.10 0.96 -0.23 -0.33 -0.53 0.00 0.00 176.83 176.61 1k9x h GLU 110 N 0.31 -0.61 -0.28 2.24 5.08 0.92 -2.97 114.58 119.27 1k9x h GLU 110 Ca -0.00 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1k9x h GLU 110 Cb 1.13 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.46 1k9x h GLU 110 CO 0.10 -0.31 -0.11 1.15 -1.00 0.00 0.00 179.01 178.84 1k9x h THR 111 N -1.02 0.64 -0.33 1.13 2.02 -1.12 -1.87 112.91 112.36 1k9x h THR 111 Ca -0.06 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.18 1k9x h THR 111 Cb 0.58 0.64 -0.08 0.00 -1.74 0.00 0.00 68.15 67.54 1k9x h THR 111 CO 0.11 0.00 -0.39 0.74 0.37 0.00 0.00 175.52 176.35 1k9x h THR 112 N -0.06 0.17 -0.46 3.16 2.02 -1.45 1.66 112.91 117.94 1k9x h THR 112 Ca 0.14 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.24 1k9x h THR 112 Cb 0.27 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 1k9x h THR 112 CO -0.32 0.00 -0.03 0.77 0.37 0.00 0.00 175.52 176.31 1k9x h SER 113 N -0.34 0.83 -0.62 4.18 4.64 -1.42 0.23 113.55 121.05 1k9x h SER 113 Ca 0.13 -0.32 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1k9x h SER 113 Cb 0.58 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 1k9x h SER 113 CO -0.51 0.95 0.37 -0.07 -0.87 0.00 0.00 176.83 176.71 1k9x h LEU 114 N 0.68 0.75 -0.61 5.97 4.07 -0.63 -0.36 115.31 125.19 1k9x h LEU 114 Ca 0.13 -0.06 -0.13 0.00 0.08 0.00 0.00 57.88 57.89 1k9x h LEU 114 Cb 0.55 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 1k9x h LEU 114 CO 0.03 0.59 -0.32 0.00 -1.08 0.00 0.00 178.44 177.66 1k9x h ALA 115 N 1.19 0.79 -0.47 1.53 0.00 0.27 -2.11 119.26 120.46 1k9x h ALA 115 Ca 0.22 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1k9x h ALA 115 Cb -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1k9x h ALA 115 CO -0.04 0.65 -0.01 1.15 0.00 0.00 0.00 179.25 181.00 1k9x h THR 116 N 0.64 1.24 -0.27 0.00 2.02 -0.22 0.27 112.91 116.59 1k9x h THR 116 Ca 0.07 -1.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.20 1k9x h THR 116 Cb 0.85 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1k9x h THR 116 CO 0.07 0.35 -0.01 0.50 0.37 0.00 0.00 175.52 176.81 1k9x h LYS 117 N 0.73 0.48 -0.61 6.66 1.63 -0.85 -0.49 116.57 124.11 1k9x h LYS 117 Ca 0.14 -0.16 -0.05 0.00 -0.85 0.00 0.00 60.65 59.73 1k9x h LYS 117 Cb 0.45 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.02 1k9x h LYS 117 CO 0.02 0.65 0.19 0.00 -3.45 0.00 0.00 179.45 176.86 1k9x h ALA 118 N 0.81 0.80 -0.96 5.00 0.00 -1.09 -2.24 119.26 121.57 1k9x h ALA 118 Ca 0.07 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1k9x h ALA 118 Cb 0.44 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1k9x h ALA 118 CO 0.02 0.47 0.62 2.35 0.00 0.00 0.00 179.25 182.70 1k9x h TRP 119 N 0.87 1.15 0.25 0.00 7.01 -0.28 0.17 115.95 125.13 1k9x h TRP 119 Ca 0.20 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.23 1k9x h TRP 119 Cb 0.29 -0.38 -0.03 0.00 -2.10 0.00 0.00 29.16 26.95 1k9x h TRP 119 CO 0.02 0.61 -0.33 1.49 -2.79 0.00 0.00 178.44 177.44 1k9x h GLU 120 N 1.15 -0.62 -0.11 2.65 4.57 -0.50 -0.04 114.58 121.67 1k9x h GLU 120 Ca 0.41 0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.60 1k9x h GLU 120 Cb 0.13 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1k9x h GLU 120 CO -0.16 -0.41 -0.03 1.05 -1.18 0.00 0.00 179.01 178.27 1k9x h GLU 121 N -0.64 0.22 -0.89 1.92 4.11 -1.09 -1.92 114.58 116.29 1k9x h GLU 121 Ca -0.00 -0.09 0.21 0.00 0.07 0.00 0.00 59.36 59.55 1k9x h GLU 121 Cb 0.62 -0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.73 1k9x h GLU 121 CO -0.11 0.53 0.40 0.00 0.07 0.00 0.00 179.01 179.90 1k9x h ALA 122 N 0.68 1.42 -0.26 1.06 0.00 -0.58 0.11 119.26 121.70 1k9x h ALA 122 Ca 0.03 0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1k9x h ALA 122 Cb 0.45 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1k9x h ALA 122 CO 0.01 -0.30 -0.35 -0.22 0.00 0.00 0.00 179.25 178.39 1k9x h LYS 123 N 0.44 0.70 -0.82 0.00 3.64 -0.88 0.00 116.57 119.65 1k9x h LYS 123 Ca 0.55 -0.40 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1k9x h LYS 123 Cb 1.00 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 1k9x h LYS 123 CO -0.50 1.02 0.42 0.00 -2.27 0.00 0.00 179.45 178.12 1k9x h ALA 124 N 0.67 1.20 -0.39 5.00 0.00 -0.20 -2.78 119.26 122.75 1k9x h ALA 124 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1k9x h ALA 124 Cb 0.94 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1k9x h ALA 124 CO 0.08 0.63 0.00 1.63 0.00 0.00 0.00 179.25 181.59 1k9x n LYS 125 N -4.32 2.20 -3.72 0.00 5.02 0.19 -4.94 118.16 112.59 1k9x n LYS 125 Ca 0.08 -1.83 -0.28 0.00 -2.02 0.00 0.00 58.31 54.26 1k9x n LYS 125 Cb 0.12 -1.45 0.01 0.00 -0.02 0.00 0.00 35.03 33.70 1k9x n LYS 125 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1k9x n ASP 126 N 1.02 -4.55 -3.89 4.39 8.00 -0.63 -4.94 116.55 115.95 1k9x n ASP 126 Ca 0.18 -0.66 -0.30 0.00 0.71 0.00 0.00 54.79 54.72 1k9x n ASP 126 Cb 0.47 -3.67 -0.15 0.00 -0.02 0.00 0.00 41.12 37.76 1k9x n ASP 126 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1k9x s ASP 127 N -3.09 4.38 0.44 -2.24 2.15 -0.11 -4.63 116.67 113.57 1k9x s ASP 127 Ca 0.58 -2.17 0.13 0.00 0.43 0.00 0.00 52.55 51.52 1k9x s ASP 127 Cb -0.29 -1.34 0.99 0.00 -0.30 0.00 0.00 42.92 41.97 1k9x s ASP 127 CO 0.71 -0.36 2.00 0.15 -0.17 0.00 0.00 175.17 177.51 1k9x h PHE 128 N 7.51 0.07 -0.04 -5.34 3.57 -1.92 -3.07 116.94 117.72 1k9x h PHE 128 Ca -0.07 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.44 1k9x h PHE 128 Cb 0.99 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 1k9x h PHE 128 CO 0.44 0.20 0.15 0.66 -2.23 0.00 0.00 178.31 177.53 1k9x h SER 129 N 0.06 0.00 1.42 0.41 4.64 -1.95 -0.17 113.55 117.97 1k9x h SER 129 Ca 0.01 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.24 1k9x h SER 129 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1k9x h SER 129 CO 0.02 0.00 -0.60 0.50 -0.87 0.00 0.00 176.83 175.88 1k9x h LYS 130 N 0.00 0.00 0.00 4.77 3.64 -1.91 -3.32 116.57 119.75 1k9x h LYS 130 Ca 0.02 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.29 1k9x h LYS 130 Cb 0.33 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1k9x h LYS 130 CO -0.00 0.37 -2.06 0.34 -2.27 0.00 0.00 179.45 175.82 1k9x n PHE 131 N -3.12 0.00 -0.21 1.91 7.35 -0.47 -4.66 117.46 118.26 1k9x n PHE 131 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 1k9x n PHE 131 Cb 0.71 -0.62 -0.04 0.00 0.35 0.00 0.00 39.48 39.88 1k9x n PHE 131 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1k9x h GLU 132 N 0.00 -0.21 -0.13 -4.13 4.81 -1.18 -0.15 114.58 113.59 1k9x h GLU 132 Ca -0.16 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1k9x h GLU 132 Cb 1.33 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.75 1k9x h GLU 132 CO 0.01 -0.14 -0.01 -1.00 -0.73 0.00 0.00 179.01 177.14 1k9x h PRO 133 N -0.22 0.18 -0.37 0.92 0.13 -1.83 -1.41 132.00 129.40 1k9x h PRO 133 Ca 0.18 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 65.13 1k9x h PRO 133 Cb 0.56 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 1k9x h PRO 133 CO -0.70 0.20 -0.39 -1.49 -0.23 0.00 0.00 178.00 175.40 1k9x h TRP 134 N 0.18 1.08 -0.85 1.56 4.06 -1.54 -2.55 115.95 117.88 1k9x h TRP 134 Ca 0.04 -0.32 0.02 0.00 2.06 0.00 0.00 58.89 60.69 1k9x h TRP 134 Cb 0.14 -0.23 -0.05 0.00 -1.00 0.00 0.00 29.16 28.02 1k9x h TRP 134 CO 0.00 1.14 0.55 1.25 -3.56 0.00 0.00 178.44 177.83 1k9x h LEU 135 N 0.74 0.94 -0.69 -4.49 6.46 -0.06 -0.51 115.31 117.70 1k9x h LEU 135 Ca 0.06 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1k9x h LEU 135 Cb 0.97 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.65 1k9x h LEU 135 CO 0.09 0.67 0.42 0.44 -0.62 0.00 0.00 178.44 179.44 1k9x h ASP 136 N 1.11 0.81 -0.68 1.25 3.32 -1.11 -0.25 116.42 120.87 1k9x h ASP 136 Ca 0.32 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 1k9x h ASP 136 Cb -0.07 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 1k9x h ASP 136 CO -0.09 0.62 0.29 0.11 -1.72 0.00 0.00 179.24 178.46 1k9x h LYS 137 N 0.93 1.00 -0.63 3.56 1.57 -0.93 -2.09 116.57 119.98 1k9x h LYS 137 Ca 0.25 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1k9x h LYS 137 Cb -0.05 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 1k9x h LYS 137 CO -0.05 0.82 0.26 0.82 -0.57 0.00 0.00 179.45 180.73 1k9x h ILE 138 N 0.96 1.23 -0.86 1.86 2.04 -0.71 -0.85 117.51 121.19 1k9x h ILE 138 Ca 0.23 -0.71 0.09 0.00 1.00 0.00 0.00 64.86 65.47 1k9x h ILE 138 Cb 0.17 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 36.71 1k9x h ILE 138 CO -0.02 0.28 0.56 0.40 0.00 0.00 0.00 178.15 179.37 1k9x h ILE 139 N 0.89 0.98 -0.41 -0.67 2.04 -0.66 0.13 117.51 119.80 1k9x h ILE 139 Ca 0.21 -0.29 -0.15 0.00 1.00 0.00 0.00 64.86 65.63 1k9x h ILE 139 Cb 0.19 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1k9x h ILE 139 CO -0.02 0.16 -0.33 -1.28 0.00 0.00 0.00 178.15 176.68 1k9x h SER 140 N 0.85 1.00 -0.42 1.72 0.87 -0.68 -2.53 113.55 114.35 1k9x h SER 140 Ca 0.39 -0.44 -0.06 0.00 -1.23 0.00 0.00 61.79 60.45 1k9x h SER 140 Cb 0.39 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1k9x h SER 140 CO -0.16 1.23 0.03 -0.07 -0.53 0.00 0.00 176.83 177.33 1k9x h LEU 141 N 0.77 0.69 -0.24 2.23 3.38 0.24 -2.16 115.31 120.23 1k9x h LEU 141 Ca 0.08 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.82 1k9x h LEU 141 Cb 0.92 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 1k9x h LEU 141 CO 0.09 0.81 -0.20 0.00 0.09 0.00 0.00 178.44 179.23 1k9x h ALA 142 N 0.91 -0.05 -0.82 1.53 0.00 -0.73 0.43 119.26 120.53 1k9x h ALA 142 Ca 0.12 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1k9x h ALA 142 Cb 0.43 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1k9x h ALA 142 CO 0.02 -0.62 0.52 0.87 0.00 0.00 0.00 179.25 180.04 1k9x h LYS 143 N -0.19 1.10 -0.17 0.00 1.57 -1.37 -1.03 116.57 116.48 1k9x h LYS 143 Ca 0.14 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.70 1k9x h LYS 143 Cb 0.40 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1k9x h LYS 143 CO -0.36 0.75 -0.46 0.00 -0.57 0.00 0.00 179.45 178.81 1k9x h ARG 144 N 1.13 0.42 -0.27 3.15 3.08 -0.53 -2.34 114.38 119.02 1k9x h ARG 144 Ca 0.30 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1k9x h ARG 144 Cb -0.09 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1k9x h ARG 144 CO -0.06 0.80 0.08 0.00 -1.07 0.00 0.00 179.97 179.72 1k9x h ALA 145 N 1.17 0.36 -0.25 0.04 0.00 0.45 -2.20 119.26 118.82 1k9x h ALA 145 Ca 0.02 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1k9x h ALA 145 Cb 0.94 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 1k9x h ALA 145 CO 0.08 -0.01 -0.25 0.00 0.00 0.00 0.00 179.25 179.07 1k9x h ALA 146 N 0.91 -0.14 -0.93 0.00 0.00 -0.98 -0.08 119.26 118.04 1k9x h ALA 146 Ca 0.09 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1k9x h ALA 146 Cb 0.24 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 1k9x h ALA 146 CO -0.00 -0.67 0.59 0.93 0.00 0.00 0.00 179.25 180.10 1k9x h GLU 147 N -0.25 1.06 -0.42 0.00 4.39 -1.26 0.16 114.58 118.27 1k9x h GLU 147 Ca 0.14 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 1k9x h GLU 147 Cb 0.47 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1k9x h GLU 147 CO -0.39 0.70 0.09 1.88 -1.16 0.00 0.00 179.01 180.13 1k9x h TYR 148 N 1.09 0.71 -0.41 4.33 0.99 -0.69 -3.22 116.97 119.77 1k9x h TYR 148 Ca 0.39 -0.09 -0.13 0.00 2.00 0.00 0.00 58.73 60.91 1k9x h TYR 148 Cb 0.13 -0.20 -0.01 0.00 1.00 0.00 0.00 36.73 37.65 1k9x h TYR 148 CO -0.02 0.67 -0.25 -0.07 -0.00 0.00 0.00 178.16 178.50 1k9x h LEU 149 N 0.53 0.92 0.00 3.88 4.07 -0.41 -3.48 115.31 120.83 1k9x h LEU 149 Ca 0.13 -0.42 0.00 0.00 0.08 0.00 0.00 57.88 57.67 1k9x h LEU 149 Cb 0.33 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1k9x h LEU 149 CO 0.00 1.14 0.00 0.61 -1.08 0.00 0.00 178.44 179.12 1k9x n GLY 150 N -0.01 1.22 3.58 0.83 0.00 0.52 -5.08 105.19 106.24 1k9x n GLY 150 Ca -0.01 -1.80 -0.05 0.00 0.00 0.00 0.00 46.02 44.16 1k9x n GLY 150 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1k9x s TYR 151 N -2.96 -0.18 -0.15 1.61 -0.85 -1.26 -4.29 117.35 109.27 1k9x s TYR 151 Ca 0.00 0.10 0.02 0.00 -0.52 0.00 0.00 57.07 56.67 1k9x s TYR 151 Cb 0.00 0.52 -0.11 0.00 0.38 0.00 0.00 41.96 42.76 1k9x s TYR 151 CO 0.00 -0.30 -0.12 0.39 -1.52 0.00 0.00 175.55 174.00 1k9x n GLU 152 N -0.15 0.55 0.00 -3.49 4.71 -1.26 -4.91 120.64 116.08 1k9x n GLU 152 Ca -0.02 0.08 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 1k9x n GLU 152 Cb 0.59 -1.31 0.00 0.00 -1.01 0.00 0.00 31.44 29.71 1k9x n GLU 152 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1k9x n GLU 153 N -2.90 0.00 -4.26 3.49 4.07 -1.26 -5.05 120.64 114.73 1k9x n GLU 153 Ca -0.27 0.05 -0.22 0.00 -0.06 0.00 0.00 57.16 56.67 1k9x n GLU 153 Cb 0.80 -0.34 -0.12 0.00 -0.06 0.00 0.00 31.44 31.72 1k9x n GLU 153 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1k9x s GLU 154 N -0.24 1.06 0.42 5.31 2.02 -1.26 -5.04 118.70 120.97 1k9x s GLU 154 Ca 0.00 -1.14 0.20 0.00 0.02 0.00 0.00 54.97 54.05 1k9x s GLU 154 Cb 0.00 -1.21 1.14 0.00 0.10 0.00 0.00 34.13 34.16 1k9x s GLU 154 CO 0.00 0.27 1.81 -1.35 0.02 0.00 0.00 175.26 176.01 1k9x h PRO 155 N 4.00 0.35 0.00 0.39 0.11 -1.95 0.78 132.00 135.69 1k9x h PRO 155 Ca -0.44 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1k9x h PRO 155 Cb 1.19 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1k9x h PRO 155 CO 0.42 0.23 -0.06 -0.92 -0.21 0.00 0.00 178.00 177.46 1k9x h TYR 156 N 0.36 0.00 -0.64 0.65 -0.00 -1.92 -2.17 116.97 113.25 1k9x h TYR 156 Ca 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 59.25 1k9x h TYR 156 Cb 1.42 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 38.12 1k9x h TYR 156 CO -0.00 0.06 0.33 -0.44 -0.00 0.00 0.00 178.16 178.11 1k9x h ASP 157 N 0.00 0.80 -0.49 -2.11 3.32 -1.19 -1.51 116.42 115.23 1k9x h ASP 157 Ca -0.00 -0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.00 1k9x h ASP 157 Cb 0.18 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1k9x h ASP 157 CO 0.01 0.66 0.29 0.00 -1.72 0.00 0.00 179.24 178.47 1k9x h ALA 158 N 1.47 0.62 -0.10 3.45 0.00 -1.53 0.11 119.26 123.28 1k9x h ALA 158 Ca 0.23 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.90 1k9x h ALA 158 Cb 0.05 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1k9x h ALA 158 CO -0.03 -0.02 -0.84 -0.07 0.00 0.00 0.00 179.25 178.29 1k9x h LEU 159 N 0.57 0.85 -0.36 0.00 3.38 -1.57 -1.91 115.31 116.28 1k9x h LEU 159 Ca 0.20 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1k9x h LEU 159 Cb 0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1k9x h LEU 159 CO -0.09 1.38 0.20 0.25 0.09 0.00 0.00 178.44 180.27 1k9x h LEU 160 N 0.45 0.44 -1.63 1.67 5.85 -1.12 -1.65 115.31 119.32 1k9x h LEU 160 Ca -0.07 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 1k9x h LEU 160 Cb 1.47 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 1k9x h LEU 160 CO 0.17 0.40 -0.20 -0.78 -0.34 0.00 0.00 178.44 177.68 1k9x h ASP 161 N 0.45 0.00 -0.53 1.25 3.58 -0.76 -0.71 116.42 119.71 1k9x h ASP 161 Ca 0.13 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 1k9x h ASP 161 Cb 0.05 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 1k9x h ASP 161 CO -0.02 0.20 0.20 0.25 -2.88 0.00 0.00 179.24 176.99 1k9x h LEU 162 N 0.00 0.78 0.00 2.28 6.46 -0.46 -3.11 115.31 121.26 1k9x h LEU 162 Ca -0.00 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1k9x h LEU 162 Cb 0.46 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1k9x h LEU 162 CO 0.03 0.72 -1.66 -1.22 -0.62 0.00 0.00 178.44 175.68 1k9x n TYR 163 N -4.31 0.21 -3.47 1.25 4.02 -0.95 -4.83 117.16 109.08 1k9x n TYR 163 Ca 0.05 0.06 -0.23 0.00 -0.01 0.00 0.00 57.90 57.77 1k9x n TYR 163 Cb 0.18 -0.55 -0.12 0.00 -0.02 0.00 0.00 39.34 38.83 1k9x n TYR 163 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1k9x s GLU 164 N -3.43 0.25 -0.32 -0.72 2.56 -0.31 -4.38 118.70 112.34 1k9x s GLU 164 Ca -0.05 -0.28 -0.42 0.00 0.00 0.00 0.00 54.97 54.23 1k9x s GLU 164 Cb 0.13 -0.95 -0.17 0.00 2.00 0.00 0.00 34.13 35.14 1k9x s GLU 164 CO 0.88 -0.99 1.65 -1.91 -0.56 0.00 0.00 175.26 174.33 1k9x n GLU 165 N 5.28 0.73 -0.21 4.30 2.13 -1.23 -1.37 120.64 130.28 1k9x n GLU 165 Ca -0.04 0.27 0.00 0.00 0.66 0.00 0.00 57.16 58.05 1k9x n GLU 165 Cb 0.45 -1.88 0.00 0.00 0.27 0.00 0.00 31.44 30.27 1k9x n GLU 165 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k9x n GLY 166 N 3.94 1.97 3.76 8.31 0.00 -1.26 -4.47 105.19 117.44 1k9x n GLY 166 Ca 0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 1k9x n GLY 166 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k9x s LEU 167 N 0.00 4.55 0.11 0.99 2.96 -0.47 -5.03 118.68 121.79 1k9x s LEU 167 Ca 0.00 2.14 0.05 0.00 -0.22 0.00 0.00 54.13 56.10 1k9x s LEU 167 Cb 0.00 -3.67 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 1k9x s LEU 167 CO 0.00 -0.06 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.70 1k9x s ARG 168 N -1.45 0.97 0.30 1.98 1.81 -1.26 -3.73 118.95 117.57 1k9x s ARG 168 Ca 0.44 -1.19 0.06 0.00 -1.72 0.00 0.00 55.73 53.32 1k9x s ARG 168 Cb -0.29 -0.84 0.74 0.00 -0.45 0.00 0.00 34.95 34.11 1k9x s ARG 168 CO 0.37 0.16 1.77 1.15 -0.68 0.00 0.00 175.30 178.06 1k9x h THR 169 N 3.64 0.68 -0.70 0.02 2.02 -1.89 0.86 112.91 117.53 1k9x h THR 169 Ca -0.40 -0.25 0.06 0.00 0.77 0.00 0.00 66.41 66.60 1k9x h THR 169 Cb 1.19 -0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 1k9x h THR 169 CO 0.49 0.13 0.46 -0.09 0.37 0.00 0.00 175.52 176.88 1k9x h ARG 170 N 0.72 0.70 -0.05 6.66 2.43 -1.98 0.15 114.38 123.01 1k9x h ARG 170 Ca 0.58 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.57 1k9x h ARG 170 Cb 0.93 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1k9x h ARG 170 CO -0.40 0.46 -0.49 -0.44 -1.51 0.00 0.00 179.97 177.59 1k9x h ASP 171 N 0.72 0.51 -0.41 -3.80 3.32 -1.25 -2.36 116.42 113.15 1k9x h ASP 171 Ca 0.30 -0.70 -0.03 0.00 0.02 0.00 0.00 57.03 56.62 1k9x h ASP 171 Cb 0.26 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1k9x h ASP 171 CO -0.10 1.14 0.14 0.58 -1.72 0.00 0.00 179.24 179.28 1k9x h VAL 172 N -0.07 1.21 -1.00 -1.35 2.07 -0.99 -1.66 116.25 114.45 1k9x h VAL 172 Ca -0.05 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 66.84 1k9x h VAL 172 Cb 1.17 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.76 1k9x h VAL 172 CO 0.10 0.24 0.65 -0.08 0.02 0.00 0.00 177.57 178.50 1k9x h GLU 173 N 0.51 1.22 -0.37 1.57 4.81 -0.78 -1.40 114.58 120.15 1k9x h GLU 173 Ca 0.13 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1k9x h GLU 173 Cb 0.23 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1k9x h GLU 173 CO -0.01 0.81 0.15 -0.22 -0.73 0.00 0.00 179.01 179.01 1k9x h LYS 174 N 1.26 0.55 -0.26 1.92 3.64 -0.97 -0.92 116.57 121.80 1k9x h LYS 174 Ca 0.40 -0.10 -0.13 0.00 -1.27 0.00 0.00 60.65 59.55 1k9x h LYS 174 Cb 0.01 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1k9x h LYS 174 CO -0.13 0.53 -0.38 0.00 -2.27 0.00 0.00 179.45 177.20 1k9x h MET 175 N 0.45 0.60 -0.02 1.90 -0.00 -0.96 -3.01 114.93 113.88 1k9x h MET 175 Ca 0.12 -0.30 -0.11 0.00 -0.00 0.00 0.00 59.70 59.42 1k9x h MET 175 Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.77 1k9x h MET 175 CO -0.01 0.88 -0.51 0.74 -0.00 0.00 0.00 176.91 178.01 1k9x h PHE 176 N 0.50 0.06 -0.56 -0.10 0.05 -1.10 -2.70 116.94 113.09 1k9x h PHE 176 Ca 0.05 -0.02 -0.07 0.00 3.82 0.00 0.00 57.97 61.75 1k9x h PHE 176 Cb 0.89 -0.01 -0.02 0.00 2.00 0.00 0.00 35.95 38.80 1k9x h PHE 176 CO 0.04 0.55 0.07 0.93 -0.18 0.00 0.00 178.31 179.72 1k9x h GLU 177 N 0.04 0.90 -0.25 1.51 4.39 -1.04 0.14 114.58 120.26 1k9x h GLU 177 Ca -0.00 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 1k9x h GLU 177 Cb 0.92 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 1k9x h GLU 177 CO 0.07 0.85 0.12 0.28 -1.16 0.00 0.00 179.01 179.17 1k9x h VAL 178 N 0.85 1.15 -0.48 3.13 2.07 -1.41 -1.57 116.25 119.99 1k9x h VAL 178 Ca 0.17 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1k9x h VAL 178 Cb 0.41 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1k9x h VAL 178 CO 0.01 0.15 0.26 -0.07 0.02 0.00 0.00 177.57 177.94 1k9x h LEU 179 N 0.28 0.61 -1.09 2.57 4.07 -1.14 0.55 115.31 121.16 1k9x h LEU 179 Ca 0.09 -0.09 -0.03 0.00 0.08 0.00 0.00 57.88 57.92 1k9x h LEU 179 Cb 0.13 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.68 1k9x h LEU 179 CO -0.01 0.53 0.29 -0.33 -1.08 0.00 0.00 178.44 177.84 1k9x h GLU 180 N 0.64 0.93 0.03 1.13 5.08 -0.56 -1.23 114.58 120.60 1k9x h GLU 180 Ca 0.17 -0.13 -0.28 0.00 -1.00 0.00 0.00 59.36 58.12 1k9x h GLU 180 Cb 0.06 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1k9x h GLU 180 CO -0.03 0.74 -1.51 0.87 -1.00 0.00 0.00 179.01 178.08 1k9x h LYS 181 N 0.93 0.07 0.00 2.33 1.79 -1.08 -3.38 116.57 117.23 1k9x h LYS 181 Ca 0.22 -0.12 -0.25 0.00 -2.18 0.00 0.00 60.65 58.32 1k9x h LYS 181 Cb 0.13 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.78 1k9x h LYS 181 CO -0.03 0.80 -1.88 1.63 -1.08 0.00 0.00 179.45 178.89 1k9x n LYS 182 N -3.23 0.36 -0.10 3.15 5.02 0.17 -4.60 118.16 118.93 1k9x n LYS 182 Ca -0.14 0.12 -0.10 0.00 -2.02 0.00 0.00 58.31 56.18 1k9x n LYS 182 Cb 1.02 -1.17 -0.02 0.00 -0.02 0.00 0.00 35.03 34.84 1k9x n LYS 182 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1k9x h LEU 183 N -0.33 0.41 -0.48 -0.35 6.46 -1.34 -2.98 115.31 116.71 1k9x h LEU 183 Ca -0.38 -0.14 0.08 0.00 -0.12 0.00 0.00 57.88 57.32 1k9x h LEU 183 Cb 1.43 -0.11 -0.10 0.00 -0.73 0.00 0.00 40.66 41.16 1k9x h LEU 183 CO -0.16 0.44 -0.42 0.50 -0.62 0.00 0.00 178.44 178.17 1k9x h LYS 184 N 0.36 -0.27 0.00 1.25 3.11 -1.58 0.36 116.57 119.80 1k9x h LYS 184 Ca 0.11 0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.92 1k9x h LYS 184 Cb 0.14 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.42 1k9x h LYS 184 CO -0.01 -0.18 -0.21 -1.00 -2.81 0.00 0.00 179.45 175.23 1k9x h PRO 185 N -0.28 0.00 -0.33 1.90 0.13 -1.81 -1.84 132.00 129.77 1k9x h PRO 185 Ca 0.16 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.14 1k9x h PRO 185 Cb 0.57 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.70 1k9x h PRO 185 CO -0.62 0.21 -0.35 1.25 -0.23 0.00 0.00 178.00 178.26 1k9x h LEU 186 N 0.00 0.89 0.37 1.56 6.46 -0.84 -0.87 115.31 122.88 1k9x h LEU 186 Ca -0.00 -0.47 -0.02 0.00 -0.12 0.00 0.00 57.88 57.27 1k9x h LEU 186 Cb 0.55 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1k9x h LEU 186 CO 0.03 1.18 -0.19 0.25 -0.62 0.00 0.00 178.44 179.09 1k9x h LEU 187 N 0.61 -0.47 -1.39 2.25 5.85 0.17 0.94 115.31 123.28 1k9x h LEU 187 Ca 0.05 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1k9x h LEU 187 Cb 0.94 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 1k9x h LEU 187 CO 0.09 -0.32 0.43 0.44 -0.34 0.00 0.00 178.44 178.74 1k9x h ASP 188 N -0.52 0.70 -0.26 1.25 3.32 -1.33 0.29 116.42 119.86 1k9x h ASP 188 Ca -0.05 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 1k9x h ASP 188 Cb 0.41 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1k9x h ASP 188 CO 0.07 0.49 -0.31 0.50 -1.72 0.00 0.00 179.24 178.27 1k9x h LYS 189 N 0.82 0.68 -0.40 3.56 3.64 -0.83 -0.67 116.57 123.37 1k9x h LYS 189 Ca 0.25 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1k9x h LYS 189 Cb 0.01 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1k9x h LYS 189 CO -0.07 0.99 0.23 0.82 -2.27 0.00 0.00 179.45 179.16 1k9x h ILE 190 N 0.41 1.14 -0.34 2.00 2.04 0.03 -1.64 117.51 121.15 1k9x h ILE 190 Ca 0.04 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1k9x h ILE 190 Cb 0.89 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1k9x h ILE 190 CO 0.08 0.15 0.17 -0.07 0.00 0.00 0.00 178.15 178.47 1k9x h LEU 191 N 0.53 0.43 -1.56 1.44 3.38 -0.35 -0.51 115.31 118.66 1k9x h LEU 191 Ca 0.14 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1k9x h LEU 191 Cb 0.03 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1k9x h LEU 191 CO -0.02 0.41 -0.07 1.05 0.09 0.00 0.00 178.44 179.89 1k9x h GLU 192 N 0.41 0.00 0.13 1.13 -0.00 -0.96 -3.13 114.58 112.17 1k9x h GLU 192 Ca 0.12 0.00 -0.35 0.00 -0.00 0.00 0.00 59.36 59.12 1k9x h GLU 192 Cb 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.83 1k9x h GLU 192 CO -0.02 0.07 -1.89 0.93 -0.00 0.00 0.00 179.01 178.11 1k9x h GLU 193 N 0.00 0.28 -1.70 1.06 5.08 -0.99 -3.49 114.58 114.82 1k9x h GLU 193 Ca -0.00 -0.48 -0.29 0.00 -1.00 0.00 0.00 59.36 57.58 1k9x h GLU 193 Cb 0.51 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 1k9x h GLU 193 CO 0.01 1.19 -0.35 0.41 -1.00 0.00 0.00 179.01 179.28 1k9x n GLY 194 N 1.92 0.25 0.33 -3.84 0.00 -0.23 -4.84 105.19 98.78 1k9x n GLY 194 Ca -0.28 -0.29 0.22 0.00 0.00 0.00 0.00 46.02 45.67 1k9x n GLY 194 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k9x h LYS 195 N 0.00 0.00 -5.12 1.61 1.79 -1.91 -3.37 116.57 109.57 1k9x h LYS 195 Ca -0.33 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.58 1k9x h LYS 195 Cb 1.17 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 31.50 1k9x h LYS 195 CO 0.42 0.00 -0.83 0.14 -1.08 0.00 0.00 179.45 178.09 1k9x s VAL 196 N -4.08 1.39 1.03 0.50 -7.23 -1.26 -5.07 120.40 105.68 1k9x s VAL 196 Ca -0.04 -0.68 -0.13 0.00 -1.81 0.00 0.00 61.98 59.32 1k9x s VAL 196 Cb 0.12 -1.21 0.21 0.00 0.56 0.00 0.00 36.38 36.06 1k9x s VAL 196 CO 0.41 0.40 1.10 -2.16 -0.31 0.00 0.00 175.10 174.54 1k9x s PRO 197 N 0.19 0.16 0.00 4.82 0.04 -1.26 -4.66 135.00 134.30 1k9x s PRO 197 Ca -0.07 0.42 0.20 0.00 0.04 0.00 0.00 61.00 61.60 1k9x s PRO 197 Cb -0.13 -1.71 0.06 0.00 0.04 0.00 0.00 34.50 32.76 1k9x s PRO 197 CO 0.03 -2.89 1.06 0.54 0.04 0.00 0.00 177.00 175.78 1k9x n ARG 198 N -4.27 1.61 -3.60 4.56 1.74 -1.26 -1.18 116.66 114.27 1k9x n ARG 198 Ca 0.06 -1.24 -0.06 0.00 -0.77 0.00 0.00 57.85 55.83 1k9x n ARG 198 Cb 0.58 -1.40 -0.02 0.00 -1.02 0.00 0.00 32.46 30.60 1k9x n ARG 198 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1k9x s GLU 199 N -2.07 0.92 -0.20 5.56 -1.05 -1.26 -4.77 118.70 115.84 1k9x s GLU 199 Ca 0.20 -0.42 -0.16 0.00 -0.15 0.00 0.00 54.97 54.44 1k9x s GLU 199 Cb 0.17 0.37 0.05 0.00 -0.44 0.00 0.00 34.13 34.28 1k9x s GLU 199 CO 0.41 -0.41 0.51 -1.58 0.95 0.00 0.00 175.26 175.15 1k9x s HIS 200 N -3.14 -0.62 0.59 4.83 2.46 -1.26 -5.00 115.29 113.15 1k9x s HIS 200 Ca 0.08 1.43 0.29 0.00 0.47 0.00 0.00 55.06 57.33 1k9x s HIS 200 Cb -0.01 0.25 1.44 0.00 -0.13 0.00 0.00 32.58 34.13 1k9x s HIS 200 CO -0.05 -0.31 1.85 -1.00 -2.47 0.00 0.00 174.74 172.76 1k9x h PRO 201 N 5.80 0.00 0.00 2.88 0.13 -2.02 0.22 132.00 139.02 1k9x h PRO 201 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1k9x h PRO 201 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1k9x h PRO 201 CO 0.20 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.25 1k9x n LEU 202 N -3.68 0.24 0.16 1.56 4.77 -1.26 -1.03 117.00 117.76 1k9x n LEU 202 Ca 0.10 0.60 0.03 0.00 -0.03 0.00 0.00 56.01 56.71 1k9x n LEU 202 Cb 0.75 -0.61 0.24 0.00 -2.33 0.00 0.00 43.42 41.46 1k9x n LEU 202 CO 0.27 -0.62 0.58 -0.33 -1.33 0.00 0.00 177.39 175.96 1k9x h GLU 203 N 0.00 0.00 -0.01 3.23 5.08 -0.96 -3.25 114.58 118.67 1k9x h GLU 203 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1k9x h GLU 203 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1k9x h GLU 203 CO 0.00 0.48 -0.73 1.63 -1.00 0.00 0.00 179.01 179.40 1k9x n LYS 204 N -3.55 0.54 -1.99 2.33 5.02 -0.20 -3.33 118.16 116.98 1k9x n LYS 204 Ca -0.00 -0.44 -0.42 0.00 -2.02 0.00 0.00 58.31 55.44 1k9x n LYS 204 Cb 0.59 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.08 1k9x n LYS 204 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1k9x s GLU 205 N -2.76 4.25 0.26 1.97 0.41 -1.20 -4.81 118.70 116.82 1k9x s GLU 205 Ca 0.13 2.32 -0.03 0.00 -0.41 0.00 0.00 54.97 56.98 1k9x s GLU 205 Cb 0.17 -3.12 -0.05 0.00 -1.78 0.00 0.00 34.13 29.35 1k9x s GLU 205 CO 0.72 -0.47 0.50 0.15 -0.49 0.00 0.00 175.26 175.68 1k9x s LYS 206 N -0.00 3.59 0.09 1.61 3.01 -1.26 -2.71 119.74 124.06 1k9x s LYS 206 Ca 0.62 -0.12 -0.14 0.00 -1.01 0.00 0.00 55.97 55.32 1k9x s LYS 206 Cb -0.42 -2.71 0.02 0.00 -1.01 0.00 0.00 37.83 33.72 1k9x s LYS 206 CO 0.40 0.27 0.34 1.52 0.51 0.00 0.00 175.35 178.39 1k9x s TYR 207 N -2.03 -0.12 -0.14 3.18 -0.85 0.30 -4.95 117.35 112.74 1k9x s TYR 207 Ca 0.42 -0.13 -0.08 0.00 -0.52 0.00 0.00 57.07 56.76 1k9x s TYR 207 Cb -0.11 0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.34 1k9x s TYR 207 CO 0.30 -0.61 0.15 -1.21 -1.52 0.00 0.00 175.55 172.66 1k9x s GLU 208 N -3.31 3.68 0.29 -3.49 2.02 -1.26 -4.61 118.70 112.01 1k9x s GLU 208 Ca 0.00 -0.14 0.07 0.00 0.02 0.00 0.00 54.97 54.92 1k9x s GLU 208 Cb 0.01 -3.26 0.83 0.00 0.10 0.00 0.00 34.13 31.82 1k9x s GLU 208 CO -0.08 0.63 1.37 -2.13 0.02 0.00 0.00 175.26 175.07 1k9x n ARG 209 N 2.45 -0.06 -0.20 1.61 0.63 -1.26 -0.92 116.66 118.91 1k9x n ARG 209 Ca -0.19 1.28 -0.01 0.00 -0.92 0.00 0.00 57.85 58.01 1k9x n ARG 209 Cb 0.54 -2.11 0.09 0.00 0.45 0.00 0.00 32.46 31.43 1k9x n ARG 209 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1k9x h GLU 210 N 0.00 0.47 -0.36 -0.14 3.07 -1.99 0.34 114.58 115.98 1k9x h GLU 210 Ca 0.60 -0.03 0.02 0.00 -0.50 0.00 0.00 59.36 59.45 1k9x h GLU 210 Cb 1.38 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 29.15 1k9x h GLU 210 CO -0.77 0.31 0.19 -1.49 -1.40 0.00 0.00 179.01 175.85 1k9x h TRP 211 N 0.49 0.35 0.00 4.33 6.55 -1.32 -2.59 115.95 123.77 1k9x h TRP 211 Ca 0.28 0.01 -0.14 0.00 0.95 0.00 0.00 58.89 60.00 1k9x h TRP 211 Cb 0.27 -0.11 -0.02 0.00 -0.86 0.00 0.00 29.16 28.45 1k9x h TRP 211 CO -0.13 0.20 -0.67 0.52 -1.05 0.00 0.00 178.44 177.31 1k9x h MET 212 N 0.39 0.00 -0.17 0.49 2.86 -1.46 -2.93 114.93 114.10 1k9x h MET 212 Ca 0.15 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.69 1k9x h MET 212 Cb 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1k9x h MET 212 CO -0.09 0.67 -0.31 1.05 1.06 0.00 0.00 176.91 179.29 1k9x h GLU 213 N 0.00 0.34 -0.22 1.72 4.11 -0.80 -0.32 114.58 119.41 1k9x h GLU 213 Ca -0.01 -0.14 -0.02 0.00 0.07 0.00 0.00 59.36 59.27 1k9x h GLU 213 Cb 1.37 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1k9x h GLU 213 CO 0.09 0.62 0.07 0.00 0.07 0.00 0.00 179.01 179.86 1k9x h ARG 214 N 0.30 0.35 -0.13 1.06 3.08 -1.38 -0.56 114.38 117.10 1k9x h ARG 214 Ca 0.04 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1k9x h ARG 214 Cb 0.70 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1k9x h ARG 214 CO 0.05 0.44 -0.01 0.28 -1.07 0.00 0.00 179.97 179.66 1k9x h VAL 215 N 0.19 0.90 -0.66 2.04 2.07 -1.31 0.14 116.25 119.62 1k9x h VAL 215 Ca 0.07 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.65 1k9x h VAL 215 Cb 0.24 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 1k9x h VAL 215 CO -0.00 0.01 0.34 0.78 0.02 0.00 0.00 177.57 178.71 1k9x h ASN 216 N 0.03 0.47 -0.28 0.57 2.35 -0.89 -0.83 115.58 117.00 1k9x h ASN 216 Ca 0.06 0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 1k9x h ASN 216 Cb 0.08 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1k9x h ASN 216 CO -0.11 0.29 -0.06 -0.07 -1.65 0.00 0.00 177.43 175.83 1k9x h LEU 217 N 0.61 0.54 -0.60 1.61 3.38 -0.70 -1.49 115.31 118.66 1k9x h LEU 217 Ca 0.31 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 57.99 1k9x h LEU 217 Cb 0.25 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 1k9x h LEU 217 CO -0.22 0.77 0.27 -0.25 0.09 0.00 0.00 178.44 179.11 1k9x h TRP 218 N 0.30 0.49 0.32 1.13 7.01 -0.38 0.33 115.95 125.15 1k9x h TRP 218 Ca 0.07 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.08 1k9x h TRP 218 Cb 0.54 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.47 1k9x h TRP 218 CO 0.05 0.19 -0.15 0.82 -2.79 0.00 0.00 178.44 176.56 1k9x h ILE 219 N 0.50 0.70 -0.99 2.65 2.04 -1.04 -0.20 117.51 121.18 1k9x h ILE 219 Ca 0.28 -0.22 0.10 0.00 1.00 0.00 0.00 64.86 66.03 1k9x h ILE 219 Cb 0.27 0.82 -0.08 0.00 -0.74 0.00 0.00 36.82 37.09 1k9x h ILE 219 CO -0.23 0.05 0.63 -0.07 0.00 0.00 0.00 178.15 178.52 1k9x h LEU 220 N -0.55 0.94 -0.25 1.44 3.38 -0.80 0.15 115.31 119.63 1k9x h LEU 220 Ca -0.04 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1k9x h LEU 220 Cb 0.41 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1k9x h LEU 220 CO 0.07 0.54 0.15 -0.61 0.09 0.00 0.00 178.44 178.67 1k9x h GLN 221 N 1.03 0.34 -0.56 1.13 -0.00 -0.12 0.13 115.11 117.07 1k9x h GLN 221 Ca 0.47 -0.03 0.10 0.00 -0.00 0.00 0.00 58.65 59.19 1k9x h GLN 221 Cb 0.39 -0.07 -0.03 0.00 0.00 0.00 0.00 27.48 27.77 1k9x h GLN 221 CO -0.23 0.28 0.38 0.87 0.00 0.00 0.00 178.83 180.13 1k9x h LYS 222 N 0.30 0.31 0.00 1.69 1.79 0.11 0.35 116.57 121.12 1k9x h LYS 222 Ca 0.09 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1k9x h LYS 222 Cb 0.03 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1k9x h LYS 222 CO -0.02 0.20 0.00 0.74 -1.08 0.00 0.00 179.45 179.30 1k9x h PHE 223 N 0.32 0.00 -0.16 -1.35 0.04 -0.50 -3.45 116.94 111.84 1k9x h PHE 223 Ca 0.26 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.03 1k9x h PHE 223 Cb 0.60 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.75 1k9x h PHE 223 CO -0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1k9x n GLY 224 N 1.18 0.94 3.65 -1.45 0.00 0.12 -4.90 105.19 104.74 1k9x n GLY 224 Ca 0.05 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1k9x n GLY 224 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1k9x s PHE 225 N -2.16 1.74 -0.25 1.61 5.36 0.33 -4.86 117.98 119.76 1k9x s PHE 225 Ca 0.00 0.14 -0.02 0.00 -0.96 0.00 0.00 56.93 56.09 1k9x s PHE 225 Cb 0.00 -4.02 -0.03 0.00 -0.34 0.00 0.00 43.02 38.63 1k9x s PHE 225 CO 0.00 -4.11 1.38 -0.35 -1.46 0.00 0.00 175.22 170.68 1k9x n PRO 226 N 7.54 0.73 -1.66 10.12 -0.04 -1.26 -4.74 135.00 145.68 1k9x n PRO 226 Ca 0.20 -0.67 -0.44 0.00 -0.04 0.00 0.00 63.50 62.55 1k9x n PRO 226 Cb 0.43 -2.00 -0.01 0.00 -0.04 0.00 0.00 33.50 31.88 1k9x n PRO 226 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1k9x n LEU 227 N 4.08 3.00 0.00 1.53 7.99 -1.26 -1.37 117.00 130.97 1k9x n LEU 227 Ca 0.15 1.18 0.00 0.00 -0.01 0.00 0.00 56.01 57.34 1k9x n LEU 227 Cb 0.11 -1.42 0.00 0.00 -0.11 0.00 0.00 43.42 42.00 1k9x n LEU 227 CO 0.46 -0.70 0.00 0.61 -1.51 0.00 0.00 177.39 176.25 1k9x n GLY 228 N 1.29 1.68 0.08 -0.72 0.00 -0.84 -4.67 105.19 102.00 1k9x n GLY 228 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 1k9x n GLY 228 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k9x n THR 229 N -1.62 1.29 -0.49 2.61 -1.04 -0.92 -4.85 114.28 109.26 1k9x n THR 229 Ca 0.00 0.19 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 1k9x n THR 229 Cb 0.00 -2.23 0.00 0.00 -1.82 0.00 0.00 70.33 66.28 1k9x n THR 229 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1k9x n ARG 230 N -4.19 0.37 -3.97 -2.82 1.74 -0.47 -4.90 116.66 102.43 1k9x n ARG 230 Ca -0.12 -0.58 -0.09 0.00 -0.77 0.00 0.00 57.85 56.29 1k9x n ARG 230 Cb 0.43 -0.76 -0.06 0.00 -1.02 0.00 0.00 32.46 31.06 1k9x n ARG 230 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k9x s ALA 231 N -0.22 -0.23 0.13 7.54 0.00 -0.52 -0.60 121.76 127.87 1k9x s ALA 231 Ca 0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 51.06 1k9x s ALA 231 Cb 0.00 1.02 -0.01 0.00 0.00 0.00 0.00 23.12 24.12 1k9x s ALA 231 CO 0.00 -0.80 0.20 1.03 0.00 0.00 0.00 175.76 176.19 1k9x s ARG 232 N -4.00 1.01 -0.03 0.00 0.52 -1.12 -1.98 118.95 113.35 1k9x s ARG 232 Ca 0.20 -1.18 -0.00 0.00 -0.52 0.00 0.00 55.73 54.23 1k9x s ARG 232 Cb 0.00 0.33 0.03 0.00 0.52 0.00 0.00 34.95 35.83 1k9x s ARG 232 CO 0.06 -0.34 0.02 -1.17 0.02 0.00 0.00 175.30 173.89 1k9x s LEU 233 N -2.96 0.90 0.31 2.53 2.96 -1.25 -1.56 118.68 119.61 1k9x s LEU 233 Ca 0.15 0.00 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 1k9x s LEU 233 Cb 0.05 -0.19 -0.02 0.00 0.50 0.00 0.00 46.19 46.52 1k9x s LEU 233 CO -0.03 -0.14 0.33 -1.81 -1.32 0.00 0.00 176.35 173.38 1k9x s ASP 234 N 1.33 1.13 0.07 3.68 1.01 -0.71 -5.01 116.67 118.18 1k9x s ASP 234 Ca -0.06 -1.58 0.01 0.00 0.71 0.00 0.00 52.55 51.63 1k9x s ASP 234 Cb -0.13 0.57 -0.04 0.00 1.01 0.00 0.00 42.92 44.33 1k9x s ASP 234 CO -0.03 -1.11 0.15 -0.69 0.21 0.00 0.00 175.17 173.70 1k9x s VAL 235 N -3.44 5.01 0.30 -1.27 1.01 -1.26 -1.66 120.40 119.09 1k9x s VAL 235 Ca 0.36 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.60 1k9x s VAL 235 Cb 0.02 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 33.01 1k9x s VAL 235 CO 0.22 0.14 0.78 -0.94 0.00 0.00 0.00 175.10 175.31 1k9x s SER 236 N -2.44 -0.14 0.15 3.32 1.04 -1.06 -4.58 113.70 110.00 1k9x s SER 236 Ca 0.32 -0.80 -0.15 0.00 0.48 0.00 0.00 55.95 55.80 1k9x s SER 236 Cb -0.13 0.74 0.03 0.00 0.10 0.00 0.00 66.02 66.77 1k9x s SER 236 CO 0.25 -1.42 1.75 0.00 0.98 0.00 0.00 173.24 174.80 1k9x h ALA 237 N 2.00 0.60 -3.39 5.32 0.00 -1.89 -3.39 119.26 118.51 1k9x h ALA 237 Ca -0.25 -0.10 -0.50 0.00 0.00 0.00 0.00 54.91 54.06 1k9x h ALA 237 Cb 1.25 -0.19 -0.34 0.00 0.00 0.00 0.00 17.79 18.51 1k9x h ALA 237 CO 0.31 0.13 -0.81 -1.01 0.00 0.00 0.00 179.25 177.87 1k9x s HIS 238 N -5.80 1.37 0.37 0.00 3.76 -1.26 -4.89 115.29 108.83 1k9x s HIS 238 Ca -0.13 -0.52 -0.28 0.00 -0.15 0.00 0.00 55.06 53.98 1k9x s HIS 238 Cb 0.11 -1.04 -0.11 0.00 1.11 0.00 0.00 32.58 32.65 1k9x s HIS 238 CO 0.75 -0.30 1.40 -2.30 -0.85 0.00 0.00 174.74 173.44 1k9x n PRO 239 N 4.02 2.40 -3.72 8.40 -0.02 -1.26 -4.85 135.00 139.96 1k9x n PRO 239 Ca -0.22 0.84 -0.09 0.00 -2.02 0.00 0.00 63.50 62.02 1k9x n PRO 239 Cb 0.51 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.45 1k9x n PRO 239 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1k9x s PHE 240 N -1.12 -0.29 -0.07 6.00 -0.12 -1.22 -4.96 117.98 116.20 1k9x s PHE 240 Ca 0.55 -0.09 0.05 0.00 -0.05 0.00 0.00 56.93 57.40 1k9x s PHE 240 Cb -0.51 0.66 -0.01 0.00 -0.63 0.00 0.00 43.02 42.53 1k9x s PHE 240 CO 0.63 -1.11 -0.24 0.99 -0.05 0.00 0.00 175.22 175.43 1k9x s THR 241 N -3.87 1.98 -0.04 -4.49 2.01 -1.26 -1.67 115.64 108.30 1k9x s THR 241 Ca 0.08 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 61.09 1k9x s THR 241 Cb -0.04 -1.69 0.01 0.00 0.01 0.00 0.00 72.50 70.79 1k9x s THR 241 CO 0.01 0.55 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.49 1k9x s THR 242 N -0.01 0.97 -0.37 -0.82 2.01 -0.39 -5.03 115.64 112.01 1k9x s THR 242 Ca -0.08 -0.44 -0.10 0.00 0.31 0.00 0.00 61.69 61.38 1k9x s THR 242 Cb -0.15 -0.87 0.03 0.00 0.01 0.00 0.00 72.50 71.52 1k9x s THR 242 CO 0.05 0.30 0.20 -0.70 -0.69 0.00 0.00 174.62 173.78 1k9x s GLU 243 N 0.34 2.80 -0.02 4.92 2.12 -1.26 -1.57 118.70 126.03 1k9x s GLU 243 Ca -0.07 -1.09 -0.11 0.00 0.36 0.00 0.00 54.97 54.06 1k9x s GLU 243 Cb -0.11 -3.70 -0.32 0.00 0.26 0.00 0.00 34.13 30.26 1k9x s GLU 243 CO 0.02 -0.70 0.79 0.74 -0.54 0.00 0.00 175.26 175.57 1k9x h PHE 244 N 8.41 0.75 -2.03 5.30 0.05 -1.69 -3.48 116.94 124.25 1k9x h PHE 244 Ca -0.25 -0.55 0.22 0.00 3.82 0.00 0.00 57.97 61.21 1k9x h PHE 244 Cb 1.10 -0.03 -0.11 0.00 2.00 0.00 0.00 35.95 38.91 1k9x h PHE 244 CO 0.57 1.60 0.60 0.20 -0.18 0.00 0.00 178.31 181.11 1k9x s GLY 245 N -4.95 -0.32 0.50 -1.45 0.00 -1.07 -4.78 107.32 95.25 1k9x s GLY 245 Ca -0.13 0.49 0.23 0.00 0.00 0.00 0.00 44.72 45.31 1k9x s GLY 245 CO 0.88 0.11 1.97 -2.22 0.00 0.00 0.00 173.10 173.84 1k9x h ILE 246 N 2.00 0.74 -0.68 0.90 2.04 -1.94 -1.10 117.51 119.46 1k9x h ILE 246 Ca -0.25 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1k9x h ILE 246 Cb 1.22 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1k9x h ILE 246 CO 0.27 0.02 0.00 0.54 0.00 0.00 0.00 178.15 178.98 1k9x n ARG 247 N -4.40 3.46 -3.30 2.37 1.74 -1.26 -4.56 116.66 110.70 1k9x n ARG 247 Ca 0.12 -2.84 -0.10 0.00 -0.77 0.00 0.00 57.85 54.26 1k9x n ARG 247 Cb 0.61 -1.80 -0.05 0.00 -1.02 0.00 0.00 32.46 30.19 1k9x n ARG 247 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1k9x s ASP 248 N -0.94 0.11 -0.15 0.55 -1.08 -0.42 -4.26 116.67 110.49 1k9x s ASP 248 Ca 0.51 -1.23 0.02 0.00 -0.52 0.00 0.00 52.55 51.34 1k9x s ASP 248 Cb 0.31 1.12 0.01 0.00 -1.46 0.00 0.00 42.92 42.90 1k9x s ASP 248 CO 0.28 -0.23 -0.21 -0.69 0.52 0.00 0.00 175.17 174.83 1k9x s VAL 249 N 1.64 2.02 0.16 1.11 1.01 0.24 -1.65 120.40 124.93 1k9x s VAL 249 Ca 0.16 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.29 1k9x s VAL 249 Cb -0.11 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1k9x s VAL 249 CO -0.06 0.54 -0.15 -0.13 0.00 0.00 0.00 175.10 175.30 1k9x s ARG 250 N 0.93 1.86 0.08 2.72 0.52 -0.61 -2.80 118.95 121.66 1k9x s ARG 250 Ca -0.04 -1.28 0.02 0.00 -0.52 0.00 0.00 55.73 53.91 1k9x s ARG 250 Cb -0.15 -2.09 -0.04 0.00 0.52 0.00 0.00 34.95 33.20 1k9x s ARG 250 CO -0.04 0.45 -0.08 0.96 0.02 0.00 0.00 175.30 176.61 1k9x s ILE 251 N -1.49 0.71 0.16 1.52 -4.36 -0.60 -1.26 121.20 115.87 1k9x s ILE 251 Ca 0.22 -1.66 0.04 0.00 -0.26 0.00 0.00 60.65 58.98 1k9x s ILE 251 Cb -0.09 -1.35 -0.05 0.00 1.25 0.00 0.00 42.46 42.22 1k9x s ILE 251 CO 0.12 -0.69 -0.07 0.42 0.24 0.00 0.00 174.94 174.96 1k9x s THR 252 N -2.82 1.08 0.24 8.37 -4.23 -0.67 -1.74 115.64 115.87 1k9x s THR 252 Ca 0.05 -2.04 -0.10 0.00 -1.18 0.00 0.00 61.69 58.42 1k9x s THR 252 Cb -0.00 -1.95 -0.01 0.00 1.34 0.00 0.00 72.50 71.88 1k9x s THR 252 CO -0.02 -0.66 0.40 0.28 -0.54 0.00 0.00 174.62 174.08 1k9x s THR 253 N -3.39 0.00 0.11 3.99 -1.32 -0.67 -3.38 115.64 110.98 1k9x s THR 253 Ca 0.19 -1.54 0.06 0.00 -1.21 0.00 0.00 61.69 59.19 1k9x s THR 253 Cb 0.04 -2.28 -0.04 0.00 -1.51 0.00 0.00 72.50 68.71 1k9x s THR 253 CO 0.02 0.00 -0.15 0.00 -2.21 0.00 0.00 174.62 172.28 1k9x s ARG 254 N -4.04 1.01 -0.56 7.08 1.70 -1.26 -2.57 118.95 120.32 1k9x s ARG 254 Ca 0.26 -1.19 0.01 0.00 -0.47 0.00 0.00 55.73 54.35 1k9x s ARG 254 Cb 0.01 -0.98 0.14 0.00 -0.57 0.00 0.00 34.95 33.55 1k9x s ARG 254 CO 0.10 0.20 0.33 0.71 -1.08 0.00 0.00 175.30 175.56 1k9x s TYR 255 N -1.83 3.32 0.53 5.89 1.51 -1.26 -4.51 117.35 121.00 1k9x s TYR 255 Ca 0.07 -2.95 0.27 0.00 -1.01 0.00 0.00 57.07 53.46 1k9x s TYR 255 Cb -0.07 -3.01 1.42 0.00 -0.11 0.00 0.00 41.96 40.20 1k9x s TYR 255 CO 0.03 -0.80 1.96 0.93 -1.11 0.00 0.00 175.55 176.56 1k9x h GLU 256 N 6.82 0.01 0.00 -0.62 3.07 -1.98 -3.45 114.58 118.43 1k9x h GLU 256 Ca -0.05 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1k9x h GLU 256 Cb 0.93 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.84 1k9x h GLU 256 CO 0.69 0.01 0.00 0.41 -1.40 0.00 0.00 179.01 178.72 1k9x n GLY 257 N -1.67 0.25 3.53 -3.84 0.00 -1.26 -5.04 105.19 97.16 1k9x n GLY 257 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 1k9x n GLY 257 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1k9x s TYR 258 N -2.00 -0.05 -1.01 1.61 -0.85 -1.26 -0.54 117.35 113.26 1k9x s TYR 258 Ca 0.00 -0.31 -0.06 0.00 -0.52 0.00 0.00 57.07 56.19 1k9x s TYR 258 Cb 0.00 0.36 -0.06 0.00 0.38 0.00 0.00 41.96 42.64 1k9x s TYR 258 CO 0.00 -0.93 0.89 -3.47 -1.52 0.00 0.00 175.55 170.52 1k9x n ASP 259 N -0.34 -6.78 0.32 -0.18 2.03 -1.10 -4.85 116.55 105.65 1k9x n ASP 259 Ca -0.09 -0.63 0.14 0.00 0.52 0.00 0.00 54.79 54.73 1k9x n ASP 259 Cb 0.62 -5.18 0.76 0.00 -0.72 0.00 0.00 41.12 36.60 1k9x n ASP 259 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1k9x h PHE 260 N -0.89 0.00 -0.63 -0.67 -5.15 -1.82 -1.55 116.94 106.23 1k9x h PHE 260 Ca -0.53 0.00 0.02 0.00 -0.20 0.00 0.00 57.97 57.26 1k9x h PHE 260 Cb 1.27 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.41 1k9x h PHE 260 CO 0.29 0.00 0.41 0.07 -2.00 0.00 0.00 178.31 177.08 1k9x h ARG 261 N 0.00 0.76 -0.31 6.09 0.11 -1.90 -2.95 114.38 116.18 1k9x h ARG 261 Ca 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1k9x h ARG 261 Cb 0.67 -0.17 -0.02 0.00 1.11 0.00 0.00 29.97 31.56 1k9x h ARG 261 CO 0.00 0.50 0.21 0.00 0.10 0.00 0.00 179.97 180.78 1k9x h ARG 262 N 0.78 0.41 -0.24 0.08 3.08 -1.61 -1.57 114.38 115.31 1k9x h ARG 262 Ca 0.24 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 60.10 1k9x h ARG 262 Cb 0.01 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 1k9x h ARG 262 CO -0.06 0.27 -0.52 0.00 -1.07 0.00 0.00 179.97 178.59 1k9x h THR 263 N 0.42 1.30 0.36 2.04 1.03 -1.72 -1.87 112.91 114.46 1k9x h THR 263 Ca 0.12 -1.73 -0.02 0.00 -0.01 0.00 0.00 66.41 64.77 1k9x h THR 263 Cb -0.05 1.66 0.00 0.00 -1.07 0.00 0.00 68.15 68.70 1k9x h THR 263 CO -0.03 0.55 -0.17 0.40 -0.01 0.00 0.00 175.52 176.26 1k9x h ILE 264 N 0.54 0.65 0.00 0.00 2.04 -1.38 -1.11 117.51 118.25 1k9x h ILE 264 Ca 0.02 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 1k9x h ILE 264 Cb 1.08 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1k9x h ILE 264 CO 0.11 0.07 -0.23 -0.07 0.00 0.00 0.00 178.15 178.03 1k9x h LEU 265 N -0.68 0.00 -0.20 1.44 3.38 -1.37 -1.12 115.31 116.77 1k9x h LEU 265 Ca -0.05 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1k9x h LEU 265 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1k9x h LEU 265 CO 0.08 0.23 -0.13 -1.28 0.09 0.00 0.00 178.44 177.42 1k9x h SER 266 N 0.00 0.46 0.14 -0.43 0.87 -1.23 0.31 113.55 113.68 1k9x h SER 266 Ca -0.00 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 60.11 1k9x h SER 266 Cb 0.52 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1k9x h SER 266 CO 0.03 0.80 -0.07 0.74 -0.53 0.00 0.00 176.83 177.80 1k9x h THR 267 N 0.12 0.91 -0.98 2.23 2.02 -0.56 -1.55 112.91 115.10 1k9x h THR 267 Ca 0.04 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.08 1k9x h THR 267 Cb 0.65 1.02 -0.06 0.00 -1.74 0.00 0.00 68.15 68.02 1k9x h THR 267 CO 0.04 0.04 0.64 0.58 0.37 0.00 0.00 175.52 177.19 1k9x h VAL 268 N -0.28 1.15 0.06 3.16 2.07 -1.27 0.21 116.25 121.35 1k9x h VAL 268 Ca -0.02 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.11 1k9x h VAL 268 Cb 0.22 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 29.77 1k9x h VAL 268 CO 0.03 0.22 -0.30 -0.74 0.02 0.00 0.00 177.57 176.81 1k9x h HIS 269 N 1.22 -0.81 -0.39 1.57 6.17 -0.47 0.34 115.15 122.79 1k9x h HIS 269 Ca 0.40 0.02 -0.08 0.00 0.71 0.00 0.00 60.37 61.42 1k9x h HIS 269 Cb 0.03 0.35 -0.02 0.00 2.52 0.00 0.00 27.41 30.29 1k9x h HIS 269 CO -0.01 -0.40 -0.08 0.93 0.71 0.00 0.00 177.93 179.09 1k9x h GLU 270 N -0.48 0.66 -0.96 5.26 4.39 -0.69 -1.66 114.58 121.10 1k9x h GLU 270 Ca 0.05 -0.19 0.09 0.00 0.34 0.00 0.00 59.36 59.64 1k9x h GLU 270 Cb 0.54 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.05 1k9x h GLU 270 CO -0.21 0.74 0.60 0.35 -1.16 0.00 0.00 179.01 179.33 1k9x h PHE 271 N 0.61 1.11 -0.95 4.33 3.57 0.04 0.21 116.94 125.86 1k9x h PHE 271 Ca 0.11 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.79 1k9x h PHE 271 Cb 0.51 -0.36 -0.09 0.00 2.79 0.00 0.00 35.95 38.80 1k9x h PHE 271 CO 0.02 0.51 0.56 0.78 -2.23 0.00 0.00 178.31 177.95 1k9x h GLY 272 N 1.03 1.60 0.60 2.40 0.00 0.05 0.22 103.07 108.96 1k9x h GLY 272 Ca 0.44 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.34 1k9x h GLY 272 CO -0.22 0.03 -0.30 0.45 0.00 0.00 0.00 176.54 176.50 1k9x h HIS 273 N 0.80 0.37 -0.37 5.60 3.86 -0.95 -3.24 115.15 121.22 1k9x h HIS 273 Ca 0.51 -0.18 0.05 0.00 -1.16 0.00 0.00 60.37 59.59 1k9x h HIS 273 Cb 0.66 -0.05 -0.05 0.00 1.06 0.00 0.00 27.41 29.03 1k9x h HIS 273 CO -0.03 0.93 0.08 0.00 0.86 0.00 0.00 177.93 179.77 1k9x h ALA 274 N 0.36 0.40 -0.85 2.45 0.00 0.13 -2.30 119.26 119.45 1k9x h ALA 274 Ca -0.03 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.02 1k9x h ALA 274 Cb 0.99 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 1k9x h ALA 274 CO 0.06 -0.32 0.52 1.25 0.00 0.00 0.00 179.25 180.75 1k9x h LEU 275 N 0.20 0.80 -0.25 0.00 5.85 -0.71 0.34 115.31 121.54 1k9x h LEU 275 Ca 0.17 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.97 1k9x h LEU 275 Cb 0.20 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1k9x h LEU 275 CO -0.22 0.50 -0.07 0.22 -0.34 0.00 0.00 178.44 178.52 1k9x h TYR 276 N 0.92 -0.15 -0.26 1.25 5.03 -1.45 -0.58 116.97 121.73 1k9x h TYR 276 Ca 0.38 0.02 -0.18 0.00 2.58 0.00 0.00 58.73 61.53 1k9x h TYR 276 Cb 0.21 0.10 -0.00 0.00 1.55 0.00 0.00 36.73 38.60 1k9x h TYR 276 CO -0.04 -0.12 -0.55 0.93 -1.32 0.00 0.00 178.16 177.07 1k9x h GLU 277 N -0.01 0.79 0.00 1.82 4.39 -1.04 -3.15 114.58 117.38 1k9x h GLU 277 Ca 0.12 -0.50 -0.02 0.00 0.34 0.00 0.00 59.36 59.30 1k9x h GLU 277 Cb 0.19 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1k9x h GLU 277 CO -0.26 1.13 -0.11 1.25 -1.16 0.00 0.00 179.01 179.86 1k9x h LEU 278 N 0.61 0.00 -3.89 1.33 5.85 0.06 -2.83 115.31 116.44 1k9x h LEU 278 Ca 0.01 0.00 -0.45 0.00 0.84 0.00 0.00 57.88 58.28 1k9x h LEU 278 Cb 1.14 0.00 -0.27 0.00 0.37 0.00 0.00 40.66 41.90 1k9x h LEU 278 CO 0.12 0.11 0.53 0.00 -0.34 0.00 0.00 178.44 178.85 1k9x n GLN 279 N -4.29 2.27 -1.66 1.25 6.02 -0.26 -4.92 117.38 115.79 1k9x n GLN 279 Ca -0.03 -3.04 -0.31 0.00 -0.01 0.00 0.00 57.00 53.61 1k9x n GLN 279 Cb 0.18 -2.13 0.04 0.00 1.02 0.00 0.00 30.24 29.36 1k9x n GLN 279 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1k9x s GLN 280 N -3.28 3.02 -0.36 -1.09 2.00 -1.07 -3.77 119.66 115.11 1k9x s GLN 280 Ca 0.55 0.84 -0.29 0.00 -2.00 0.00 0.00 55.36 54.47 1k9x s GLN 280 Cb 0.47 -2.01 0.01 0.00 0.80 0.00 0.00 33.01 32.28 1k9x s GLN 280 CO 0.09 -1.01 1.22 0.34 -0.50 0.00 0.00 175.29 175.43 1k9x s ASP 281 N -3.93 6.70 0.65 6.67 -1.08 -1.26 -4.88 116.67 119.53 1k9x s ASP 281 Ca 0.58 0.96 0.33 0.00 -0.52 0.00 0.00 52.55 53.89 1k9x s ASP 281 Cb -0.13 -2.54 1.78 0.00 -1.46 0.00 0.00 42.92 40.57 1k9x s ASP 281 CO 0.54 -1.10 2.03 -0.33 0.52 0.00 0.00 175.17 176.83 1k9x h GLU 282 N 9.11 0.00 0.00 4.34 5.08 -1.96 0.20 114.58 131.35 1k9x h GLU 282 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1k9x h GLU 282 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1k9x h GLU 282 CO 1.06 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 179.61 1k9x n ARG 283 N -3.11 0.05 -0.04 2.33 1.74 -1.26 -1.67 116.66 114.71 1k9x n ARG 283 Ca -0.01 0.30 0.12 0.00 -0.77 0.00 0.00 57.85 57.49 1k9x n ARG 283 Cb 0.34 -1.60 0.15 0.00 -1.02 0.00 0.00 32.46 30.32 1k9x n ARG 283 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1k9x n PHE 284 N -1.71 0.11 -1.54 -1.55 3.72 0.72 -5.00 117.46 112.21 1k9x n PHE 284 Ca 0.03 -0.06 -0.52 0.00 -0.05 0.00 0.00 57.45 56.85 1k9x n PHE 284 Cb 0.19 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.67 1k9x n PHE 284 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 1k9x n MET 285 N 1.32 0.75 -0.93 -1.08 1.56 -0.67 -0.97 117.12 117.09 1k9x n MET 285 Ca 0.15 0.27 0.00 0.00 -0.27 0.00 0.00 57.70 57.85 1k9x n MET 285 Cb 0.59 -1.76 0.00 0.00 2.15 0.00 0.00 33.22 34.20 1k9x n MET 285 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 1k9x n PHE 286 N 1.65 0.00 -4.17 1.12 3.01 -1.26 -5.02 117.46 112.79 1k9x n PHE 286 Ca 0.18 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.38 1k9x n PHE 286 Cb 0.19 -0.42 -0.06 0.00 -0.01 0.00 0.00 39.48 39.18 1k9x n PHE 286 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1k9x s THR 287 N -2.61 4.02 0.52 4.37 -4.23 -0.15 -4.55 115.64 113.01 1k9x s THR 287 Ca 0.00 -1.38 0.41 0.00 -1.18 0.00 0.00 61.69 59.54 1k9x s THR 287 Cb 0.00 -3.07 0.41 0.00 1.34 0.00 0.00 72.50 71.18 1k9x s THR 287 CO 0.00 -0.18 2.26 1.55 -0.54 0.00 0.00 174.62 177.71 1k9x h PRO 288 N 2.34 0.00 -0.00 3.99 0.13 -1.95 -1.98 132.00 134.54 1k9x h PRO 288 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1k9x h PRO 288 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1k9x h PRO 288 CO 0.60 0.00 -0.22 -0.89 -0.23 0.00 0.00 178.00 177.26 1k9x n ILE 289 N -2.94 0.00 -2.76 -3.56 5.41 -1.26 -4.80 119.36 109.45 1k9x n ILE 289 Ca -0.03 -0.01 -0.36 0.00 1.00 0.00 0.00 62.75 63.35 1k9x n ILE 289 Cb 0.06 -0.14 -0.06 0.00 -0.71 0.00 0.00 39.64 38.79 1k9x n ILE 289 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k9x s ALA 290 N -2.95 3.18 0.00 -1.39 0.00 -0.75 -1.24 121.76 118.62 1k9x s ALA 290 Ca 0.14 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1k9x s ALA 290 Cb 0.18 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 20.12 1k9x s ALA 290 CO 0.60 0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.90 1k9x n GLY 291 N 0.37 2.48 3.71 0.00 0.00 -1.26 -4.76 105.19 105.74 1k9x n GLY 291 Ca 0.03 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 1k9x n GLY 291 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k9x n GLY 292 N 1.03 0.79 0.21 -0.02 0.00 -1.26 -3.28 105.19 102.66 1k9x n GLY 292 Ca 0.00 0.35 -0.15 0.00 0.00 0.00 0.00 46.02 46.22 1k9x n GLY 292 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1k9x h VAL 293 N 2.75 1.31 -3.80 1.61 3.04 -1.95 -3.45 116.25 115.76 1k9x h VAL 293 Ca -0.47 -1.73 -0.09 0.00 -1.01 0.00 0.00 66.70 63.40 1k9x h VAL 293 Cb 1.27 1.83 -0.12 0.00 -2.01 0.00 0.00 31.29 32.27 1k9x h VAL 293 CO 0.66 0.55 -0.26 -0.94 -1.01 0.00 0.00 177.57 176.57 1k9x s SER 294 N -6.80 -0.01 0.18 3.17 1.04 -1.26 -4.93 113.70 105.08 1k9x s SER 294 Ca -0.12 -0.84 -0.13 0.00 0.48 0.00 0.00 55.95 55.34 1k9x s SER 294 Cb 0.08 0.47 0.09 0.00 0.10 0.00 0.00 66.02 66.76 1k9x s SER 294 CO 0.86 -0.95 1.81 -0.07 0.98 0.00 0.00 173.24 175.87 1k9x h LEU 295 N 2.46 0.73 -0.62 2.42 3.38 -1.93 -0.50 115.31 121.25 1k9x h LEU 295 Ca -0.31 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.61 1k9x h LEU 295 Cb 1.24 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 1k9x h LEU 295 CO 0.45 0.59 0.39 1.23 0.09 0.00 0.00 178.44 181.19 1k9x h GLY 296 N 0.81 0.88 1.27 0.83 0.00 -1.86 0.23 103.07 105.22 1k9x h GLY 296 Ca 0.21 -0.30 -0.16 0.00 0.00 0.00 0.00 47.33 47.07 1k9x h GLY 296 CO -0.04 0.28 -0.47 -2.22 0.00 0.00 0.00 176.54 174.09 1k9x h ILE 297 N 0.79 1.29 -0.85 2.60 1.08 -1.87 -2.25 117.51 118.30 1k9x h ILE 297 Ca 0.24 -1.66 -0.00 0.00 -0.39 0.00 0.00 64.86 63.04 1k9x h ILE 297 Cb -0.03 1.56 -0.04 0.00 -3.07 0.00 0.00 36.82 35.23 1k9x h ILE 297 CO -0.08 0.54 0.51 0.45 -0.69 0.00 0.00 178.15 178.88 1k9x h HIS 298 N 0.62 1.11 -0.24 1.37 3.86 -0.39 -2.03 115.15 119.46 1k9x h HIS 298 Ca 0.03 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.15 1k9x h HIS 298 Cb 1.04 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 29.13 1k9x h HIS 298 CO 0.06 0.74 -0.25 0.93 0.86 0.00 0.00 177.93 180.27 1k9x h GLU 299 N 1.17 0.46 -0.33 2.45 4.39 -0.36 -2.25 114.58 120.10 1k9x h GLU 299 Ca 0.31 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1k9x h GLU 299 Cb -0.05 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1k9x h GLU 299 CO -0.06 0.68 0.18 0.66 -1.16 0.00 0.00 179.01 179.31 1k9x h SER 300 N 0.41 0.40 0.09 1.42 4.64 -0.76 -0.49 113.55 119.26 1k9x h SER 300 Ca 0.06 -0.02 -0.22 0.00 -0.47 0.00 0.00 61.79 61.13 1k9x h SER 300 Cb 0.66 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1k9x h SER 300 CO 0.05 0.33 -0.86 1.56 -0.87 0.00 0.00 176.83 177.04 1k9x h GLN 301 N 0.46 0.59 -0.12 4.77 1.08 -1.18 -0.81 115.11 119.90 1k9x h GLN 301 Ca 0.12 -0.55 -0.21 0.00 -1.45 0.00 0.00 58.65 56.56 1k9x h GLN 301 Cb 0.02 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1k9x h GLN 301 CO -0.02 1.17 -0.77 0.66 -0.95 0.00 0.00 178.83 178.92 1k9x h SER 302 N 0.38 0.77 0.19 1.46 4.64 -1.11 -3.09 113.55 116.79 1k9x h SER 302 Ca -0.07 -0.51 -0.12 0.00 -0.47 0.00 0.00 61.79 60.62 1k9x h SER 302 Cb 1.48 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1k9x h SER 302 CO 0.16 1.29 -0.46 0.03 -0.87 0.00 0.00 176.83 176.98 1k9x h ARG 303 N 0.44 0.33 0.26 4.77 2.47 -1.13 0.33 114.38 121.84 1k9x h ARG 303 Ca -0.05 -0.17 -0.00 0.00 -1.26 0.00 0.00 59.98 58.50 1k9x h ARG 303 Cb 1.38 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.69 1k9x h ARG 303 CO 0.15 0.72 -0.19 0.35 0.56 0.00 0.00 179.97 181.56 1k9x h PHE 304 N 0.26 -0.51 -0.06 3.04 3.57 -1.10 0.10 116.94 122.25 1k9x h PHE 304 Ca 0.02 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1k9x h PHE 304 Cb 0.91 0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1k9x h PHE 304 CO 0.02 -0.30 -0.16 -1.49 -2.23 0.00 0.00 178.31 174.15 1k9x h TRP 305 N -0.46 0.27 0.71 0.41 4.06 -1.52 -1.11 115.95 118.32 1k9x h TRP 305 Ca -0.02 -0.11 -0.03 0.00 2.06 0.00 0.00 58.89 60.80 1k9x h TRP 305 Cb 0.40 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.51 1k9x h TRP 305 CO -0.12 0.77 -0.47 1.49 -3.56 0.00 0.00 178.44 176.55 1k9x h GLU 306 N -0.31 -1.08 0.01 0.49 4.81 -0.91 1.86 114.58 119.46 1k9x h GLU 306 Ca -0.00 0.07 -0.28 0.00 -0.13 0.00 0.00 59.36 59.02 1k9x h GLU 306 Cb 0.77 0.25 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 1k9x h GLU 306 CO 0.03 -0.72 -1.55 0.09 -0.73 0.00 0.00 179.01 176.13 1k9x n ASN 307 N -5.60 1.90 -0.10 1.04 3.02 0.33 -1.68 115.26 114.17 1k9x n ASN 307 Ca -0.14 0.38 -0.10 0.00 -0.03 0.00 0.00 54.58 54.69 1k9x n ASN 307 Cb 0.48 -0.93 -0.02 0.00 -0.61 0.00 0.00 39.78 38.70 1k9x n ASN 307 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1k9x h ILE 308 N -0.88 1.19 0.00 2.41 1.08 -1.14 -3.03 117.51 117.13 1k9x h ILE 308 Ca -0.42 -0.59 -0.24 0.00 -0.39 0.00 0.00 64.86 63.23 1k9x h ILE 308 Cb 1.44 0.98 -0.04 0.00 -3.07 0.00 0.00 36.82 36.13 1k9x h ILE 308 CO -0.21 0.20 -1.51 -0.38 -0.69 0.00 0.00 178.15 175.56 1k9x n ILE 309 N -4.71 1.51 -0.35 -0.67 5.41 -0.49 -4.07 119.36 115.99 1k9x n ILE 309 Ca -0.02 -0.08 0.14 0.00 1.00 0.00 0.00 62.75 63.79 1k9x n ILE 309 Cb 0.14 -2.09 0.33 0.00 -0.71 0.00 0.00 39.64 37.32 1k9x n ILE 309 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1k9x h GLY 310 N -1.00 1.81 -2.66 7.39 0.00 0.38 -2.32 103.07 106.67 1k9x h GLY 310 Ca -0.36 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1k9x h GLY 310 CO -0.22 -0.11 0.00 0.54 0.00 0.00 0.00 176.54 176.75 1k9x n ARG 311 N -4.80 3.19 -1.79 4.80 1.74 -1.02 -4.68 116.66 114.10 1k9x n ARG 311 Ca 0.24 -2.70 -0.31 0.00 -0.77 0.00 0.00 57.85 54.31 1k9x n ARG 311 Cb 0.61 -1.69 0.02 0.00 -1.02 0.00 0.00 32.46 30.39 1k9x n ARG 311 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1k9x s SER 312 N -1.00 5.97 0.31 0.55 1.04 -0.87 -4.85 113.70 114.85 1k9x s SER 312 Ca 0.47 1.45 0.13 0.00 0.48 0.00 0.00 55.95 58.48 1k9x s SER 312 Cb 0.28 -2.45 0.48 0.00 0.10 0.00 0.00 66.02 64.42 1k9x s SER 312 CO 0.27 -1.04 1.66 0.50 0.98 0.00 0.00 173.24 175.61 1k9x h LYS 313 N -0.44 0.00 -0.65 4.02 3.64 -1.93 -2.51 116.57 118.71 1k9x h LYS 313 Ca -0.44 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.91 1k9x h LYS 313 Cb 1.20 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1k9x h LYS 313 CO 0.61 0.53 0.28 0.93 -2.27 0.00 0.00 179.45 179.53 1k9x h GLU 314 N 0.00 0.95 -0.50 1.90 3.07 -1.91 -0.92 114.58 117.16 1k9x h GLU 314 Ca -0.01 -0.16 -0.06 0.00 -0.50 0.00 0.00 59.36 58.64 1k9x h GLU 314 Cb 1.00 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.73 1k9x h GLU 314 CO 0.07 0.78 0.09 0.35 -1.40 0.00 0.00 179.01 178.89 1k9x h PHE 315 N 0.90 0.88 -0.87 4.33 3.57 -1.72 -1.91 116.94 122.12 1k9x h PHE 315 Ca 0.22 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1k9x h PHE 315 Cb 0.16 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 1k9x h PHE 315 CO 0.01 0.80 0.55 0.28 -2.23 0.00 0.00 178.31 177.72 1k9x h VAL 316 N 0.71 1.23 -0.52 1.41 2.07 -1.09 -0.96 116.25 119.09 1k9x h VAL 316 Ca 0.15 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 1k9x h VAL 316 Cb 0.39 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1k9x h VAL 316 CO 0.01 0.23 0.07 -0.33 0.02 0.00 0.00 177.57 177.57 1k9x h GLU 317 N 1.18 0.87 -0.49 1.57 5.08 -0.93 0.14 114.58 122.01 1k9x h GLU 317 Ca 0.31 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1k9x h GLU 317 Cb -0.10 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1k9x h GLU 317 CO -0.06 0.86 0.28 1.25 -1.00 0.00 0.00 179.01 180.34 1k9x h LEU 318 N 0.75 0.60 -0.59 1.33 5.85 -1.00 -3.06 115.31 119.19 1k9x h LEU 318 Ca 0.16 -0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.66 1k9x h LEU 318 Cb 0.42 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1k9x h LEU 318 CO 0.01 0.49 -0.67 0.40 -0.34 0.00 0.00 178.44 178.33 1k9x h ILE 319 N 0.65 1.43 -0.85 4.05 1.08 -1.00 -3.38 117.51 119.49 1k9x h ILE 319 Ca 0.17 -2.35 0.15 0.00 -0.39 0.00 0.00 64.86 62.44 1k9x h ILE 319 Cb 0.02 2.29 -0.15 0.00 -3.07 0.00 0.00 36.82 35.90 1k9x h ILE 319 CO -0.03 0.66 -0.32 0.22 -0.69 0.00 0.00 178.15 177.99 1k9x h TYR 320 N 0.00 -0.85 0.00 1.37 3.20 -0.60 -1.25 116.97 118.84 1k9x h TYR 320 Ca -0.01 0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 1k9x h TYR 320 Cb 1.23 0.50 -0.00 0.00 1.54 0.00 0.00 36.73 40.00 1k9x h TYR 320 CO 0.00 -0.39 -0.15 -1.00 -1.64 0.00 0.00 178.16 174.98 1k9x h PRO 321 N -0.04 0.00 0.00 1.82 0.13 -1.76 -1.03 132.00 131.11 1k9x h PRO 321 Ca 0.34 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.29 1k9x h PRO 321 Cb 0.60 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 1k9x h PRO 321 CO -0.88 0.15 -0.86 0.28 -0.23 0.00 0.00 178.00 176.45 1k9x h VAL 322 N 0.00 1.61 -0.10 1.56 2.07 -1.50 -3.01 116.25 116.88 1k9x h VAL 322 Ca -0.00 -2.92 -0.21 0.00 0.82 0.00 0.00 66.70 64.39 1k9x h VAL 322 Cb 0.32 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1k9x h VAL 322 CO 0.02 0.84 -0.79 -0.07 0.02 0.00 0.00 177.57 177.59 1k9x h LEU 323 N 0.01 0.70 -1.38 2.57 3.38 -0.85 -2.84 115.31 116.90 1k9x h LEU 323 Ca -0.01 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.42 1k9x h LEU 323 Cb 1.52 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1k9x h LEU 323 CO 0.11 1.25 -0.24 0.11 0.09 0.00 0.00 178.44 179.76 1k9x h LYS 324 N 0.39 0.11 0.00 1.13 1.79 -1.18 -2.32 116.57 116.49 1k9x h LYS 324 Ca -0.05 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.31 1k9x h LYS 324 Cb 1.40 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.02 1k9x h LYS 324 CO 0.15 0.35 -1.31 0.39 -1.08 0.00 0.00 179.45 177.95 1k9x n GLU 325 N -4.21 0.62 -0.00 3.15 1.02 -1.14 -4.29 120.64 115.78 1k9x n GLU 325 Ca -0.02 0.13 0.08 0.00 -0.02 0.00 0.00 57.16 57.34 1k9x n GLU 325 Cb 0.32 -1.78 0.07 0.00 -0.02 0.00 0.00 31.44 30.03 1k9x n GLU 325 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1k9x n ASN 326 N -2.73 2.35 -3.59 1.62 3.02 -1.08 -4.85 115.26 110.01 1k9x n ASN 326 Ca -0.05 -1.67 -0.29 0.00 -0.03 0.00 0.00 54.58 52.53 1k9x n ASN 326 Cb 0.69 -0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.72 1k9x n ASN 326 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k9x s LEU 327 N -1.34 1.37 0.40 3.41 1.43 -0.88 -4.73 118.68 118.35 1k9x s LEU 327 Ca 0.19 -1.79 0.22 0.00 -1.03 0.00 0.00 54.13 51.72 1k9x s LEU 327 Cb 0.13 -0.58 1.21 0.00 0.03 0.00 0.00 46.19 46.98 1k9x s LEU 327 CO 0.20 -0.38 1.71 -0.65 0.23 0.00 0.00 176.35 177.46 1k9x h PRO 328 N 7.74 0.27 0.00 1.29 0.11 -1.85 0.19 132.00 139.75 1k9x h PRO 328 Ca -0.09 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1k9x h PRO 328 Cb 0.99 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1k9x h PRO 328 CO 0.41 0.18 0.00 1.97 -0.21 0.00 0.00 178.00 180.35 1k9x n PHE 329 N -4.71 0.71 0.64 0.65 1.16 -1.26 -2.91 117.46 111.74 1k9x n PHE 329 Ca 0.30 0.27 0.07 0.00 -1.87 0.00 0.00 57.45 56.23 1k9x n PHE 329 Cb 1.08 -0.94 0.35 0.00 -1.61 0.00 0.00 39.48 38.36 1k9x n PHE 329 CO 0.00 0.00 0.00 -1.33 -1.87 0.00 0.00 176.76 173.56 1k9x n MET 330 N -2.14 0.15 0.28 3.97 2.81 0.05 -2.94 117.12 119.30 1k9x n MET 330 Ca 0.02 0.18 0.12 0.00 -1.81 0.00 0.00 57.70 56.21 1k9x n MET 330 Cb 0.23 -1.50 0.80 0.00 -0.71 0.00 0.00 33.22 32.04 1k9x n MET 330 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1k9x h SER 331 N 0.00 0.00 -0.22 7.83 0.02 -1.73 -2.38 113.55 117.07 1k9x h SER 331 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1k9x h SER 331 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1k9x h SER 331 CO 0.00 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.28 1k9x n ASN 332 N -4.14 2.70 -4.30 3.07 3.02 -1.15 -4.95 115.26 109.52 1k9x n ASN 332 Ca -0.03 -1.87 -0.27 0.00 -0.03 0.00 0.00 54.58 52.38 1k9x n ASN 332 Cb 0.09 -0.14 -0.14 0.00 -0.61 0.00 0.00 39.78 38.98 1k9x n ASN 332 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1k9x s TYR 333 N -1.73 1.98 0.51 3.10 1.51 -0.90 -5.13 117.35 116.69 1k9x s TYR 333 Ca 0.35 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 56.06 1k9x s TYR 333 Cb 0.21 -1.15 0.03 0.00 -0.11 0.00 0.00 41.96 40.94 1k9x s TYR 333 CO 0.30 0.15 0.70 0.95 -1.11 0.00 0.00 175.55 176.55 1k9x s THR 334 N -0.91 2.75 0.42 -0.71 -4.23 -1.26 -4.98 115.64 106.72 1k9x s THR 334 Ca 0.09 -0.82 0.23 0.00 -1.18 0.00 0.00 61.69 60.01 1k9x s THR 334 Cb -0.09 -2.93 0.25 0.00 1.34 0.00 0.00 72.50 71.07 1k9x s THR 334 CO 0.03 0.00 2.03 1.55 -0.54 0.00 0.00 174.62 177.69 1k9x h PRO 335 N 0.28 0.00 -0.30 3.99 0.13 -1.98 -2.17 132.00 131.95 1k9x h PRO 335 Ca -0.40 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 1k9x h PRO 335 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1k9x h PRO 335 CO 0.48 0.15 0.10 0.93 -0.23 0.00 0.00 178.00 179.43 1k9x h GLU 336 N 0.00 0.47 -0.63 0.86 4.39 -1.99 -0.91 114.58 116.77 1k9x h GLU 336 Ca -0.00 -0.10 0.13 0.00 0.34 0.00 0.00 59.36 59.72 1k9x h GLU 336 Cb 0.36 -0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 28.84 1k9x h GLU 336 CO 0.02 0.52 0.12 -0.44 -1.16 0.00 0.00 179.01 178.07 1k9x h ASP 337 N 0.33 -0.04 -0.54 1.42 3.45 -1.78 0.26 116.42 119.53 1k9x h ASP 337 Ca 0.10 0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.67 1k9x h ASP 337 Cb 0.24 0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 39.17 1k9x h ASP 337 CO -0.00 -0.02 0.28 0.58 -1.57 0.00 0.00 179.24 178.51 1k9x h VAL 338 N 0.24 1.19 -0.02 -1.35 2.07 -1.26 0.31 116.25 117.43 1k9x h VAL 338 Ca 0.34 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1k9x h VAL 338 Cb 0.53 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1k9x h VAL 338 CO -0.44 0.21 0.01 0.22 0.02 0.00 0.00 177.57 177.58 1k9x h TYR 339 N 0.72 0.02 -0.63 1.57 3.20 0.29 0.33 116.97 122.48 1k9x h TYR 339 Ca 0.19 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.11 1k9x h TYR 339 Cb 0.07 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 1k9x h TYR 339 CO -0.01 0.05 0.35 -0.07 -1.64 0.00 0.00 178.16 176.84 1k9x h LEU 340 N -0.01 0.53 -0.95 2.82 3.38 -0.25 -0.21 115.31 120.61 1k9x h LEU 340 Ca 0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1k9x h LEU 340 Cb 0.03 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1k9x h LEU 340 CO -0.00 0.35 0.54 0.22 0.09 0.00 0.00 178.44 179.63 1k9x h TYR 341 N 0.66 1.23 0.00 1.13 3.20 0.14 -2.34 116.97 120.99 1k9x h TYR 341 Ca 0.27 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1k9x h TYR 341 Cb 0.15 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.01 1k9x h TYR 341 CO -0.08 0.83 0.00 0.74 -1.64 0.00 0.00 178.16 178.01 1k9x h PHE 342 N 1.28 0.00 -0.11 -3.82 -1.00 0.61 -3.28 116.94 110.63 1k9x h PHE 342 Ca 0.33 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 61.06 1k9x h PHE 342 Cb -0.02 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.51 1k9x h PHE 342 CO 0.01 0.00 -0.30 0.09 -1.61 0.00 0.00 178.31 176.50 1k9x n ASN 343 N -3.05 2.09 -4.62 2.17 3.02 -0.18 -4.91 115.26 109.78 1k9x n ASN 343 Ca 0.02 -3.73 -0.41 0.00 -0.03 0.00 0.00 54.58 50.43 1k9x n ASN 343 Cb 0.40 -0.55 0.02 0.00 -0.61 0.00 0.00 39.78 39.05 1k9x n ASN 343 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1k9x n ILE 344 N -1.14 2.64 -3.93 2.41 5.41 -0.94 -4.79 119.36 119.02 1k9x n ILE 344 Ca 0.23 -0.50 -0.24 0.00 1.00 0.00 0.00 62.75 63.24 1k9x n ILE 344 Cb 0.79 -1.19 -0.17 0.00 -0.71 0.00 0.00 39.64 38.36 1k9x n ILE 344 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1k9x s VAL 345 N -1.31 0.65 -0.28 1.39 1.01 -0.32 -4.73 120.40 116.80 1k9x s VAL 345 Ca 0.65 -0.08 -0.18 0.00 0.00 0.00 0.00 61.98 62.37 1k9x s VAL 345 Cb -0.53 -0.72 0.10 0.00 0.00 0.00 0.00 36.38 35.23 1k9x s VAL 345 CO 0.55 0.29 0.81 0.00 0.00 0.00 0.00 175.10 176.76 1k9x s ARG 346 N 1.62 0.60 -0.02 2.72 3.03 -1.26 -3.98 118.95 121.66 1k9x s ARG 346 Ca 0.01 0.97 -0.30 0.00 2.03 0.00 0.00 55.73 58.44 1k9x s ARG 346 Cb -0.13 0.15 -0.05 0.00 -1.03 0.00 0.00 34.95 33.90 1k9x s ARG 346 CO -0.05 -0.12 1.33 -1.25 -1.13 0.00 0.00 175.30 174.09 1k9x s PRO 347 N 1.31 4.31 0.41 3.89 0.04 -1.26 -4.64 135.00 139.07 1k9x s PRO 347 Ca -0.08 1.86 0.04 0.00 0.04 0.00 0.00 61.00 62.86 1k9x s PRO 347 Cb -0.05 -3.56 -0.02 0.00 0.04 0.00 0.00 34.50 30.91 1k9x s PRO 347 CO -0.15 -0.53 0.12 -0.51 0.04 0.00 0.00 177.00 175.97 1k9x s ASP 348 N 1.73 2.89 -0.10 6.66 1.01 -1.26 -5.02 116.67 122.58 1k9x s ASP 348 Ca 0.61 -1.67 0.04 0.00 0.71 0.00 0.00 52.55 52.24 1k9x s ASP 348 Cb -0.29 0.49 -0.24 0.00 1.01 0.00 0.00 42.92 43.89 1k9x s ASP 348 CO 0.25 -0.92 0.45 0.49 0.21 0.00 0.00 175.17 175.65 1k9x n PHE 349 N -0.93 1.01 -3.09 4.23 3.01 -1.26 -4.89 117.46 115.54 1k9x n PHE 349 Ca -0.07 0.28 -0.40 0.00 1.01 0.00 0.00 57.45 58.27 1k9x n PHE 349 Cb 0.65 -1.16 -0.06 0.00 -0.01 0.00 0.00 39.48 38.90 1k9x n PHE 349 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1k9x s ILE 350 N -2.57 4.99 0.13 4.37 -1.09 -1.26 -4.84 121.20 120.93 1k9x s ILE 350 Ca -0.14 1.19 -0.19 0.00 -2.23 0.00 0.00 60.65 59.28 1k9x s ILE 350 Cb 0.07 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 1k9x s ILE 350 CO 0.79 0.05 1.74 -0.09 -1.23 0.00 0.00 174.94 176.21 1k9x h ARG 351 N 7.70 0.16 0.00 2.79 2.43 -1.96 -2.20 114.38 123.30 1k9x h ARG 351 Ca -0.28 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1k9x h ARG 351 Cb 1.13 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1k9x h ARG 351 CO 0.78 0.10 0.00 0.25 -1.51 0.00 0.00 179.97 179.60 1k9x n THR 352 N -5.06 1.35 0.42 0.20 -2.24 -1.26 -1.54 114.28 106.15 1k9x n THR 352 Ca -0.02 0.34 0.04 0.00 -2.27 0.00 0.00 64.05 62.14 1k9x n THR 352 Cb 0.09 -1.28 -0.02 0.00 -2.10 0.00 0.00 70.33 67.03 1k9x n THR 352 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1k9x n GLU 353 N -1.38 2.75 -1.99 -0.78 4.07 -0.85 -5.04 120.64 117.41 1k9x n GLU 353 Ca 0.01 -0.40 -0.41 0.00 -0.06 0.00 0.00 57.16 56.31 1k9x n GLU 353 Cb 0.03 -1.02 -0.02 0.00 -0.06 0.00 0.00 31.44 30.38 1k9x n GLU 353 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1k9x s ALA 354 N -1.48 3.57 1.27 4.31 0.00 -0.59 -5.02 121.76 123.83 1k9x s ALA 354 Ca 0.06 1.37 -0.20 0.00 0.00 0.00 0.00 51.96 53.19 1k9x s ALA 354 Cb 0.07 -3.54 0.31 0.00 0.00 0.00 0.00 23.12 19.96 1k9x s ALA 354 CO 0.28 -0.78 1.04 0.16 0.00 0.00 0.00 175.76 176.45 1k9x s ASP 355 N -0.05 0.28 0.44 0.00 -4.77 -1.26 -4.68 116.67 106.62 1k9x s ASP 355 Ca 0.54 0.80 0.21 0.00 -3.30 0.00 0.00 52.55 50.80 1k9x s ASP 355 Cb -0.42 -1.14 1.02 0.00 -1.09 0.00 0.00 42.92 41.29 1k9x s ASP 355 CO 0.51 -4.54 1.90 -0.37 0.70 0.00 0.00 175.17 173.38 1k9x h VAL 356 N -2.86 0.79 0.12 2.11 -1.51 -1.96 -1.68 116.25 111.27 1k9x h VAL 356 Ca -0.46 -1.01 -0.18 0.00 -1.23 0.00 0.00 66.70 63.81 1k9x h VAL 356 Cb 1.32 1.62 0.01 0.00 -2.13 0.00 0.00 31.29 32.11 1k9x h VAL 356 CO 0.34 0.24 -0.82 0.58 -1.23 0.00 0.00 177.57 176.69 1k9x h VAL 357 N 0.00 1.46 0.00 7.19 2.07 -1.92 -3.36 116.25 121.70 1k9x h VAL 357 Ca -0.00 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.03 1k9x h VAL 357 Cb 0.60 3.13 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 1k9x h VAL 357 CO 0.03 0.69 -0.38 0.71 0.02 0.00 0.00 177.57 178.65 1k9x h THR 358 N -0.45 0.00 -0.40 2.57 1.35 -1.91 -3.40 112.91 110.66 1k9x h THR 358 Ca -0.15 -0.86 0.05 0.00 -0.55 0.00 0.00 66.41 64.89 1k9x h THR 358 Cb 1.58 1.66 -0.08 0.00 -1.73 0.00 0.00 68.15 69.58 1k9x h THR 358 CO 0.11 0.00 -0.55 0.22 -0.25 0.00 0.00 175.52 175.05 1k9x h TYR 359 N 0.00 -1.67 -0.01 4.73 3.20 -1.44 -1.99 116.97 119.79 1k9x h TYR 359 Ca 0.00 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1k9x h TYR 359 Cb 0.93 0.78 -0.00 0.00 1.54 0.00 0.00 36.73 39.99 1k9x h TYR 359 CO 0.00 -0.49 0.22 -0.91 -1.64 0.00 0.00 178.16 175.34 1k9x h ASN 360 N -0.40 0.00 0.40 -2.11 2.35 -1.80 -0.76 115.58 113.26 1k9x h ASN 360 Ca 0.08 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.68 1k9x h ASN 360 Cb 0.60 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 1k9x h ASN 360 CO -0.59 0.00 -0.63 -0.26 -1.65 0.00 0.00 177.43 174.29 1k9x h PHE 361 N 0.00 0.29 -0.68 1.19 0.05 -1.64 -0.40 116.94 115.75 1k9x h PHE 361 Ca 0.00 -0.12 -0.06 0.00 3.82 0.00 0.00 57.97 61.61 1k9x h PHE 361 Cb 0.44 -0.05 -0.03 0.00 2.00 0.00 0.00 35.95 38.31 1k9x h PHE 361 CO 0.00 0.80 0.17 0.45 -0.18 0.00 0.00 178.31 179.55 1k9x h HIS 362 N 0.16 1.13 -0.40 -0.55 3.86 -1.21 -2.32 115.15 115.83 1k9x h HIS 362 Ca -0.01 -0.13 -0.14 0.00 -1.16 0.00 0.00 60.37 58.92 1k9x h HIS 362 Cb 1.15 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 1k9x h HIS 362 CO 0.02 0.92 -0.32 0.82 0.86 0.00 0.00 177.93 180.24 1k9x h ILE 363 N 1.01 1.27 -0.40 2.45 1.08 -1.53 -3.01 117.51 118.39 1k9x h ILE 363 Ca 0.21 -1.49 0.06 0.00 -0.39 0.00 0.00 64.86 63.26 1k9x h ILE 363 Cb 0.36 1.34 -0.05 0.00 -3.07 0.00 0.00 36.82 35.40 1k9x h ILE 363 CO 0.00 0.50 0.09 0.25 -0.69 0.00 0.00 178.15 178.30 1k9x h LEU 364 N 0.73 0.03 -0.97 1.44 5.85 -0.83 0.74 115.31 122.31 1k9x h LEU 364 Ca 0.07 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 1k9x h LEU 364 Cb 0.90 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1k9x h LEU 364 CO 0.08 0.05 -0.02 0.17 -0.34 0.00 0.00 178.44 178.39 1k9x h LEU 365 N 0.22 0.70 -0.88 2.25 8.10 -1.41 0.30 115.31 124.58 1k9x h LEU 365 Ca 0.19 -0.17 -0.10 0.00 0.11 0.00 0.00 57.88 57.91 1k9x h LEU 365 Cb 0.22 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 40.24 1k9x h LEU 365 CO -0.24 0.78 -0.29 0.03 -4.11 0.00 0.00 178.44 174.60 1k9x h ARG 366 N 0.68 0.49 -0.19 0.17 3.08 -1.25 -1.12 114.38 116.24 1k9x h ARG 366 Ca 0.13 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1k9x h ARG 366 Cb 0.44 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1k9x h ARG 366 CO 0.02 0.73 0.07 0.35 -1.07 0.00 0.00 179.97 180.08 1k9x h PHE 367 N 0.43 0.30 0.03 3.04 3.57 0.13 0.75 116.94 125.19 1k9x h PHE 367 Ca 0.06 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1k9x h PHE 367 Cb 0.73 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1k9x h PHE 367 CO 0.02 0.36 -0.02 0.87 -2.23 0.00 0.00 178.31 177.31 1k9x h LYS 368 N 0.15 -0.04 -0.62 1.11 1.57 -0.70 -1.24 116.57 116.80 1k9x h LYS 368 Ca 0.06 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 1k9x h LYS 368 Cb 0.19 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1k9x h LYS 368 CO -0.00 -0.01 0.08 -0.07 -0.57 0.00 0.00 179.45 178.88 1k9x h LEU 369 N -0.06 0.99 -0.63 2.94 3.38 -1.16 -2.42 115.31 118.35 1k9x h LEU 369 Ca -0.00 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1k9x h LEU 369 Cb 0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1k9x h LEU 369 CO 0.01 0.99 0.18 -0.33 0.09 0.00 0.00 178.44 179.38 1k9x h GLU 370 N 0.96 0.99 -0.24 1.13 5.08 -0.68 -0.65 114.58 121.16 1k9x h GLU 370 Ca 0.19 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1k9x h GLU 370 Cb 0.44 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1k9x h GLU 370 CO 0.01 0.88 0.12 -0.09 -1.00 0.00 0.00 179.01 178.93 1k9x h ARG 371 N 0.91 0.35 -0.56 2.33 2.43 -1.08 -1.40 114.38 117.36 1k9x h ARG 371 Ca 0.20 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1k9x h ARG 371 Cb 0.31 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1k9x h ARG 371 CO -0.00 0.35 0.19 -0.07 -1.51 0.00 0.00 179.97 178.93 1k9x h LEU 372 N 0.26 0.75 -0.21 3.80 4.07 -1.31 0.22 115.31 122.89 1k9x h LEU 372 Ca 0.08 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1k9x h LEU 372 Cb 0.12 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 1k9x h LEU 372 CO -0.01 0.70 0.11 0.24 -1.08 0.00 0.00 178.44 178.40 1k9x h MET 373 N 0.80 0.30 0.00 1.13 2.86 -0.75 0.22 114.93 119.49 1k9x h MET 373 Ca 0.19 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1k9x h MET 373 Cb 0.21 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 1k9x h MET 373 CO -0.01 0.30 -0.42 0.28 1.06 0.00 0.00 176.91 178.11 1k9x h VAL 374 N 0.22 0.15 0.00 -2.22 2.07 -1.13 -3.40 116.25 111.94 1k9x h VAL 374 Ca 0.07 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1k9x h VAL 374 Cb 0.09 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1k9x h VAL 374 CO -0.01 0.08 -0.29 -1.20 0.02 0.00 0.00 177.57 176.17 1k9x n SER 375 N -2.99 0.99 -3.42 0.57 7.64 0.77 -4.76 113.62 112.43 1k9x n SER 375 Ca 0.02 0.45 -0.12 0.00 1.01 0.00 0.00 58.87 60.23 1k9x n SER 375 Cb 0.58 -0.70 0.05 0.00 -1.01 0.00 0.00 64.21 63.13 1k9x n SER 375 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1k9x n GLU 376 N -3.55 0.42 -3.22 1.43 4.07 0.76 -5.03 120.64 115.52 1k9x n GLU 376 Ca -0.04 -1.51 -0.45 0.00 -0.06 0.00 0.00 57.16 55.10 1k9x n GLU 376 Cb 0.15 -0.28 -0.01 0.00 -0.06 0.00 0.00 31.44 31.24 1k9x n GLU 376 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1k9x s GLU 377 N -3.68 3.96 -0.08 5.31 0.41 -1.26 -4.60 118.70 118.77 1k9x s GLU 377 Ca 0.34 -2.74 -0.05 0.00 -0.41 0.00 0.00 54.97 52.11 1k9x s GLU 377 Cb -0.02 -4.66 -0.04 0.00 -1.78 0.00 0.00 34.13 27.63 1k9x s GLU 377 CO 0.22 -1.41 0.15 0.42 -0.49 0.00 0.00 175.26 174.15 1k9x s ILE 378 N 0.09 5.44 -0.00 -1.63 -1.09 -1.26 -5.09 121.20 117.65 1k9x s ILE 378 Ca 0.30 0.05 -0.08 0.00 -2.23 0.00 0.00 60.65 58.68 1k9x s ILE 378 Cb -0.08 -3.43 -0.05 0.00 -1.58 0.00 0.00 42.46 37.32 1k9x s ILE 378 CO -0.07 0.50 0.29 -0.54 -1.23 0.00 0.00 174.94 173.89 1k9x s LYS 379 N -1.38 3.64 0.57 2.79 -0.14 -1.26 -4.96 119.74 118.99 1k9x s LYS 379 Ca 0.20 0.03 0.26 0.00 -1.36 0.00 0.00 55.97 55.10 1k9x s LYS 379 Cb -0.12 -3.11 1.56 0.00 -1.68 0.00 0.00 37.83 34.48 1k9x s LYS 379 CO 0.10 0.66 2.09 0.00 -0.76 0.00 0.00 175.35 177.44 1k9x h ALA 380 N 4.22 1.97 0.00 5.17 0.00 -1.92 -1.27 119.26 127.42 1k9x h ALA 380 Ca -0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1k9x h ALA 380 Cb 1.21 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1k9x h ALA 380 CO 0.64 -0.33 -0.05 1.57 0.00 0.00 0.00 179.25 181.08 1k9x h LYS 381 N 0.00 0.00 0.00 0.00 2.10 -1.93 -2.71 116.57 114.03 1k9x h LYS 381 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1k9x h LYS 381 Cb 0.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 1k9x h LYS 381 CO -0.00 0.05 -0.76 -0.25 -2.00 0.00 0.00 179.45 176.48 1k9x n ASP 382 N -3.25 0.63 -0.12 7.07 8.00 -0.48 -4.44 116.55 123.95 1k9x n ASP 382 Ca -0.01 -0.14 -0.10 0.00 0.71 0.00 0.00 54.79 55.25 1k9x n ASP 382 Cb 0.23 0.46 -0.02 0.00 -0.02 0.00 0.00 41.12 41.78 1k9x n ASP 382 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1k9x h LEU 383 N 0.00 0.49 -0.62 0.64 3.38 -1.55 -2.91 115.31 114.74 1k9x h LEU 383 Ca 0.00 -0.18 0.12 0.00 0.09 0.00 0.00 57.88 57.91 1k9x h LEU 383 Cb 0.67 -0.13 -0.12 0.00 0.09 0.00 0.00 40.66 41.17 1k9x h LEU 383 CO 0.00 0.54 -0.17 -0.65 0.09 0.00 0.00 178.44 178.25 1k9x h PRO 384 N 0.42 -0.02 -0.10 1.13 0.11 -1.78 0.54 132.00 132.31 1k9x h PRO 384 Ca 0.12 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.07 1k9x h PRO 384 Cb 0.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1k9x h PRO 384 CO -0.01 -0.01 -0.61 0.93 -0.21 0.00 0.00 178.00 178.09 1k9x h GLU 385 N -0.02 0.33 -0.35 1.05 4.39 -1.85 -1.28 114.58 116.85 1k9x h GLU 385 Ca 0.30 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 1k9x h GLU 385 Cb 0.47 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1k9x h GLU 385 CO -0.65 0.84 0.06 0.52 -1.16 0.00 0.00 179.01 178.62 1k9x h MET 386 N 0.25 0.58 -0.41 2.33 2.86 -1.07 -2.09 114.93 117.38 1k9x h MET 386 Ca -0.01 -0.16 0.07 0.00 -2.06 0.00 0.00 59.70 57.55 1k9x h MET 386 Cb 1.13 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.66 1k9x h MET 386 CO 0.10 0.65 0.01 2.35 1.06 0.00 0.00 176.91 181.08 1k9x h TRP 387 N 0.42 -0.01 -0.18 -0.22 2.91 0.32 -2.32 115.95 116.88 1k9x h TRP 387 Ca 0.11 0.03 -0.11 0.00 1.13 0.00 0.00 58.89 60.05 1k9x h TRP 387 Cb 0.35 0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.06 1k9x h TRP 387 CO 0.02 -0.07 -0.35 -0.91 -1.03 0.00 0.00 178.44 176.10 1k9x h ASN 388 N 0.12 0.38 -0.15 2.65 2.35 -1.10 -2.43 115.58 117.40 1k9x h ASN 388 Ca 0.20 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1k9x h ASN 388 Cb 0.29 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1k9x h ASN 388 CO -0.33 0.71 0.07 0.44 -1.65 0.00 0.00 177.43 176.67 1k9x h ASP 389 N 0.32 0.19 -0.24 5.81 3.32 -0.90 0.05 116.42 124.97 1k9x h ASP 389 Ca 0.04 -0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.00 1k9x h ASP 389 Cb 0.77 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.23 1k9x h ASP 389 CO 0.06 0.27 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.45 1k9x h GLU 390 N 0.10 -0.01 -0.21 3.56 4.39 -1.33 0.68 114.58 121.76 1k9x h GLU 390 Ca 0.05 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.81 1k9x h GLU 390 Cb 0.13 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.72 1k9x h GLU 390 CO -0.01 -0.01 -0.25 1.98 -1.16 0.00 0.00 179.01 179.56 1k9x h MET 391 N -0.01 -0.27 -0.82 2.33 4.05 -1.18 0.22 114.93 119.26 1k9x h MET 391 Ca 0.12 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.53 1k9x h MET 391 Cb 0.19 0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.01 1k9x h MET 391 CO -0.26 -0.18 0.41 1.49 0.23 0.00 0.00 176.91 178.60 1k9x h GLU 392 N -0.28 1.16 -0.08 0.39 4.81 -0.01 0.32 114.58 120.90 1k9x h GLU 392 Ca 0.13 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1k9x h GLU 392 Cb 0.47 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1k9x h GLU 392 CO -0.37 0.89 0.03 -0.09 -0.73 0.00 0.00 179.01 178.74 1k9x h ARG 393 N 1.15 0.12 0.07 1.92 2.43 0.11 -1.52 114.38 118.66 1k9x h ARG 393 Ca 0.28 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.32 1k9x h ARG 393 Cb 0.09 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1k9x h ARG 393 CO -0.04 0.25 -0.51 -0.07 -1.51 0.00 0.00 179.97 178.09 1k9x h LEU 394 N -0.03 0.22 -1.21 3.80 3.38 -0.43 -3.40 115.31 117.64 1k9x h LEU 394 Ca 0.03 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1k9x h LEU 394 Cb 0.17 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1k9x h LEU 394 CO -0.00 1.24 -0.22 0.18 0.09 0.00 0.00 178.44 179.73 1k9x n LEU 395 N -4.35 2.01 -0.14 1.67 4.77 0.11 -4.99 117.00 116.08 1k9x n LEU 395 Ca -0.14 -0.86 -0.02 0.00 -0.03 0.00 0.00 56.01 54.97 1k9x n LEU 395 Cb 0.67 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.75 1k9x n LEU 395 CO 0.40 0.37 -0.02 0.61 -1.33 0.00 0.00 177.39 177.42 1k9x n GLY 396 N 1.12 0.48 3.21 -0.72 0.00 -0.57 -4.82 105.19 103.89 1k9x n GLY 396 Ca 0.08 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 1k9x n GLY 396 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1k9x s ILE 397 N -1.82 1.19 -0.11 -0.61 -4.36 -1.26 -4.94 121.20 109.30 1k9x s ILE 397 Ca 0.00 -1.61 0.00 0.00 -0.26 0.00 0.00 60.65 58.79 1k9x s ILE 397 Cb 0.00 -1.39 0.02 0.00 1.25 0.00 0.00 42.46 42.34 1k9x s ILE 397 CO 0.00 -0.40 -0.10 -0.60 0.24 0.00 0.00 174.94 174.08 1k9x s ARG 398 N -2.49 1.72 0.47 0.37 3.52 -1.26 -1.89 118.95 119.39 1k9x s ARG 398 Ca 0.06 -0.35 -0.22 0.00 -0.13 0.00 0.00 55.73 55.09 1k9x s ARG 398 Cb -0.06 -1.65 -0.10 0.00 -1.56 0.00 0.00 34.95 31.58 1k9x s ARG 398 CO 0.02 -0.19 0.77 -2.30 -0.81 0.00 0.00 175.30 172.79 1k9x n PRO 399 N 4.65 0.89 -0.09 5.12 -0.02 -1.26 -4.92 135.00 139.37 1k9x n PRO 399 Ca -0.16 0.33 -0.11 0.00 -2.02 0.00 0.00 63.50 61.54 1k9x n PRO 399 Cb 0.50 -1.82 -0.10 0.00 -0.02 0.00 0.00 33.50 32.06 1k9x n PRO 399 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1k9x n ARG 400 N 0.12 0.86 -4.40 -0.52 1.74 -1.26 -5.00 116.66 108.20 1k9x n ARG 400 Ca 0.11 0.07 -0.24 0.00 -0.77 0.00 0.00 57.85 57.02 1k9x n ARG 400 Cb 0.42 -1.40 -0.09 0.00 -1.02 0.00 0.00 32.46 30.37 1k9x n ARG 400 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1k9x s LYS 401 N -2.39 1.93 0.41 5.56 1.02 -1.26 -5.03 119.74 119.98 1k9x s LYS 401 Ca -0.20 -1.63 0.07 0.00 0.02 0.00 0.00 55.97 54.24 1k9x s LYS 401 Cb 0.06 -1.93 0.87 0.00 -0.52 0.00 0.00 37.83 36.32 1k9x s LYS 401 CO 0.53 0.34 2.06 1.88 -0.92 0.00 0.00 175.35 179.24 1k9x h TYR 402 N 2.11 0.49 -0.09 3.18 0.99 -1.95 -2.29 116.97 119.41 1k9x h TYR 402 Ca -0.42 0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.28 1k9x h TYR 402 Cb 1.26 -0.16 -0.01 0.00 1.00 0.00 0.00 36.73 38.81 1k9x h TYR 402 CO 0.76 0.32 -0.12 0.77 -0.00 0.00 0.00 178.16 179.88 1k9x h SER 403 N 0.52 0.12 0.71 3.88 0.02 -1.88 -1.41 113.55 115.52 1k9x h SER 403 Ca 0.14 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1k9x h SER 403 Cb -0.04 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1k9x h SER 403 CO -0.03 0.26 -0.23 -0.62 -1.14 0.00 0.00 176.83 175.08 1k9x n GLU 404 N -4.33 0.08 0.00 3.45 1.02 -0.87 -3.91 120.64 116.09 1k9x n GLU 404 Ca -0.01 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1k9x n GLU 404 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1k9x n GLU 404 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k9x n GLY 405 N 1.47 1.79 0.25 0.62 0.00 -0.65 -4.62 105.19 104.05 1k9x n GLY 405 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 1k9x n GLY 405 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1k9x h ILE 406 N 0.00 0.00 -0.45 -0.61 2.10 -1.88 -0.69 117.51 115.98 1k9x h ILE 406 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1k9x h ILE 406 Cb 0.00 0.46 0.00 0.00 -1.09 0.00 0.00 36.82 36.19 1k9x h ILE 406 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1k9x n LEU 407 N -2.47 2.60 0.10 2.19 4.32 -0.62 -4.55 117.00 118.56 1k9x n LEU 407 Ca -0.01 -1.30 -0.07 0.00 -0.02 0.00 0.00 56.01 54.60 1k9x n LEU 407 Cb 0.37 -0.34 -0.04 0.00 -1.62 0.00 0.00 43.42 41.79 1k9x n LEU 407 CO 0.09 0.61 0.51 1.56 -1.22 0.00 0.00 177.39 178.94 1k9x h GLN 408 N 2.68 -0.36 -6.28 3.23 4.20 -1.23 -3.46 115.11 113.89 1k9x h GLN 408 Ca 0.00 0.02 -0.59 0.00 0.06 0.00 0.00 58.65 58.15 1k9x h GLN 408 Cb 0.69 0.08 -0.11 0.00 0.30 0.00 0.00 27.48 28.44 1k9x h GLN 408 CO 0.03 -0.24 -0.68 0.16 -0.67 0.00 0.00 178.83 177.43 1k9x s ASP 409 N -3.13 4.37 0.50 1.46 1.47 -1.26 -5.03 116.67 115.04 1k9x s ASP 409 Ca -0.07 -0.65 0.28 0.00 1.18 0.00 0.00 52.55 53.29 1k9x s ASP 409 Cb 0.02 -0.76 1.24 0.00 -0.34 0.00 0.00 42.92 43.08 1k9x s ASP 409 CO 0.24 0.04 1.96 0.40 0.68 0.00 0.00 175.17 178.48 1k9x h ILE 410 N 2.21 0.38 -0.66 2.11 2.04 -1.96 -3.39 117.51 118.25 1k9x h ILE 410 Ca -0.45 -0.76 0.07 0.00 1.00 0.00 0.00 64.86 64.72 1k9x h ILE 410 Cb 1.23 1.56 -0.09 0.00 -0.74 0.00 0.00 36.82 38.79 1k9x h ILE 410 CO 0.58 0.13 -0.35 1.41 0.00 0.00 0.00 178.15 179.92 1k9x n HIS 411 N -3.35 -0.20 -0.04 1.37 8.25 -1.26 -0.18 115.22 119.81 1k9x n HIS 411 Ca -0.00 0.83 -0.04 0.00 -0.26 0.00 0.00 57.72 58.24 1k9x n HIS 411 Cb 0.33 -0.61 0.17 0.00 1.12 0.00 0.00 29.99 31.00 1k9x n HIS 411 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1k9x h TRP 412 N 0.00 0.69 -0.66 4.41 6.55 -1.77 0.24 115.95 125.41 1k9x h TRP 412 Ca 0.14 -0.13 -0.06 0.00 0.95 0.00 0.00 58.89 59.79 1k9x h TRP 412 Cb 0.31 -0.17 -0.03 0.00 -0.86 0.00 0.00 29.16 28.40 1k9x h TRP 412 CO -0.65 0.76 0.17 0.00 -1.05 0.00 0.00 178.44 177.67 1k9x h ALA 413 N 1.25 1.06 0.00 1.49 0.00 -0.84 -1.36 119.26 120.87 1k9x h ALA 413 Ca 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1k9x h ALA 413 Cb 0.61 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1k9x h ALA 413 CO 0.04 0.62 0.00 0.45 0.00 0.00 0.00 179.25 180.37 1k9x h HIS 414 N 0.98 0.00 0.00 0.00 3.86 -0.60 -3.36 115.15 116.03 1k9x h HIS 414 Ca 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1k9x h HIS 414 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1k9x h HIS 414 CO 0.02 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.22 1k9x n GLY 415 N 0.48 0.86 3.53 2.45 0.00 -0.51 -4.91 105.19 107.10 1k9x n GLY 415 Ca 0.03 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1k9x n GLY 415 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k9x s SER 416 N -2.11 6.92 -0.20 1.61 0.01 0.76 -4.95 113.70 115.75 1k9x s SER 416 Ca 0.00 -2.62 -0.08 0.00 1.31 0.00 0.00 55.95 54.56 1k9x s SER 416 Cb 0.00 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 1k9x s SER 416 CO 0.00 -1.02 0.07 -0.63 0.41 0.00 0.00 173.24 172.07 1k9x s ILE 417 N 3.23 4.77 0.00 1.44 -1.09 -1.26 -4.29 121.20 123.99 1k9x s ILE 417 Ca 0.49 -0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.88 1k9x s ILE 417 Cb 0.01 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.73 1k9x s ILE 417 CO 0.04 0.43 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 1k9x n GLY 418 N 3.78 0.87 0.13 6.18 0.00 -1.26 -4.70 105.19 110.20 1k9x n GLY 418 Ca -0.16 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 1k9x n GLY 418 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1k9x n TYR 419 N -2.24 0.14 -0.31 1.61 9.36 -1.26 -4.33 117.16 120.12 1k9x n TYR 419 Ca 0.00 0.05 0.09 0.00 3.32 0.00 0.00 57.90 61.36 1k9x n TYR 419 Cb 0.00 -1.02 0.21 0.00 -0.63 0.00 0.00 39.34 37.90 1k9x n TYR 419 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1k9x h PHE 420 N -0.61 -0.13 0.00 2.98 0.05 -1.94 -1.20 116.94 116.10 1k9x h PHE 420 Ca -0.63 0.07 0.00 0.00 3.82 0.00 0.00 57.97 61.23 1k9x h PHE 420 Cb 1.71 0.20 0.00 0.00 2.00 0.00 0.00 35.95 39.86 1k9x h PHE 420 CO -0.03 -0.35 0.13 -1.00 -0.18 0.00 0.00 178.31 176.89 1k9x h PRO 421 N 0.05 0.00 -0.17 1.51 0.13 -1.88 -0.42 132.00 131.23 1k9x h PRO 421 Ca 0.50 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.55 1k9x h PRO 421 Cb 0.93 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 1k9x h PRO 421 CO -0.83 0.00 -0.24 1.79 -0.23 0.00 0.00 178.00 178.49 1k9x h THR 422 N 0.00 1.24 -0.79 1.56 1.35 -1.52 -2.20 112.91 112.56 1k9x h THR 422 Ca 0.00 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 1k9x h THR 422 Cb 0.27 1.38 -0.04 0.00 -1.73 0.00 0.00 68.15 68.03 1k9x h THR 422 CO 0.00 0.35 0.50 1.88 -0.25 0.00 0.00 175.52 178.00 1k9x h TYR 423 N 0.28 1.01 -0.25 4.73 -1.99 -1.24 -1.88 116.97 117.63 1k9x h TYR 423 Ca 0.04 0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.69 1k9x h TYR 423 Cb 0.58 -0.34 -0.00 0.00 2.00 0.00 0.00 36.73 38.97 1k9x h TYR 423 CO 0.01 0.65 -0.24 1.15 -0.00 0.00 0.00 178.16 179.74 1k9x h THR 424 N 1.07 1.31 -0.56 -2.88 2.02 -1.55 -2.34 112.91 109.99 1k9x h THR 424 Ca 0.29 -1.40 0.10 0.00 0.77 0.00 0.00 66.41 66.16 1k9x h THR 424 Cb -0.08 1.66 -0.07 0.00 -1.74 0.00 0.00 68.15 67.91 1k9x h THR 424 CO -0.06 0.44 0.15 0.40 0.37 0.00 0.00 175.52 176.82 1k9x h ILE 425 N 0.31 0.72 -0.59 3.11 2.04 -1.06 0.21 117.51 122.24 1k9x h ILE 425 Ca 0.04 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.85 1k9x h ILE 425 Cb 0.79 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 1k9x h ILE 425 CO 0.06 0.06 0.31 1.23 0.00 0.00 0.00 178.15 179.80 1k9x h GLY 426 N 0.30 0.85 0.91 5.37 0.00 -1.17 0.88 103.07 110.20 1k9x h GLY 426 Ca 0.29 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 1k9x h GLY 426 CO -0.34 0.12 0.02 -0.84 0.00 0.00 0.00 176.54 175.50 1k9x h THR 427 N 0.58 1.25 -0.09 4.70 2.02 -0.61 -2.15 112.91 118.61 1k9x h THR 427 Ca 0.27 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1k9x h THR 427 Cb 0.18 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1k9x h THR 427 CO -0.18 0.31 0.00 -0.07 0.37 0.00 0.00 175.52 175.95 1k9x h LEU 428 N 0.40 0.15 -1.00 2.58 3.38 -0.36 -3.14 115.31 117.33 1k9x h LEU 428 Ca 0.10 -0.30 0.09 0.00 0.09 0.00 0.00 57.88 57.87 1k9x h LEU 428 Cb 0.42 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 1k9x h LEU 428 CO 0.01 0.41 0.64 -0.07 0.09 0.00 0.00 178.44 179.53 1k9x h LEU 429 N -0.11 0.98 -1.13 1.67 4.07 -0.84 -2.12 115.31 117.83 1k9x h LEU 429 Ca 0.03 0.03 0.02 0.00 0.08 0.00 0.00 57.88 58.03 1k9x h LEU 429 Cb 0.33 -0.17 -0.05 0.00 1.08 0.00 0.00 40.66 41.85 1k9x h LEU 429 CO 0.00 0.58 0.59 0.77 -1.08 0.00 0.00 178.44 179.30 1k9x h SER 430 N 1.09 1.00 -0.03 -0.43 4.64 -1.33 -0.45 113.55 118.04 1k9x h SER 430 Ca 0.47 -0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.58 1k9x h SER 430 Cb 0.33 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1k9x h SER 430 CO -0.22 0.71 -0.67 0.00 -0.87 0.00 0.00 176.83 175.78 1k9x h ALA 431 N 1.46 0.51 -0.56 5.18 0.00 -1.42 -2.01 119.26 122.42 1k9x h ALA 431 Ca 0.34 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1k9x h ALA 431 Cb -0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1k9x h ALA 431 CO -0.09 0.70 0.28 0.37 0.00 0.00 0.00 179.25 180.52 1k9x h GLN 432 N 0.47 0.79 -0.25 0.00 4.15 -0.86 -2.46 115.11 116.95 1k9x h GLN 432 Ca -0.02 -0.11 -0.10 0.00 0.77 0.00 0.00 58.65 59.19 1k9x h GLN 432 Cb 1.25 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 1k9x h GLN 432 CO 0.13 0.64 -0.28 -0.07 -1.93 0.00 0.00 178.83 177.32 1k9x h LEU 433 N 0.75 0.50 0.03 -2.39 3.38 -1.07 -2.82 115.31 113.69 1k9x h LEU 433 Ca 0.19 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1k9x h LEU 433 Cb 0.09 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1k9x h LEU 433 CO -0.03 0.77 -0.19 0.22 0.09 0.00 0.00 178.44 179.30 1k9x h TYR 434 N 0.43 -0.51 0.00 1.13 3.20 -0.92 0.18 116.97 120.49 1k9x h TYR 434 Ca 0.06 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 1k9x h TYR 434 Cb 0.71 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 1k9x h TYR 434 CO 0.02 -0.28 -0.18 1.88 -1.64 0.00 0.00 178.16 177.97 1k9x h TYR 435 N -0.33 0.00 0.03 -3.82 -1.99 -1.41 -2.39 116.97 107.07 1k9x h TYR 435 Ca 0.05 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.53 1k9x h TYR 435 Cb 0.39 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.14 1k9x h TYR 435 CO -0.22 0.18 -0.99 0.45 -0.00 0.00 0.00 178.16 177.57 1k9x h HIS 436 N 0.00 0.94 0.00 4.88 3.86 -1.11 -3.20 115.15 120.52 1k9x h HIS 436 Ca -0.00 -0.53 -0.03 0.00 -1.16 0.00 0.00 60.37 58.65 1k9x h HIS 436 Cb 0.32 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.69 1k9x h HIS 436 CO 0.00 1.37 -0.12 0.97 0.86 0.00 0.00 177.93 181.01 1k9x h ILE 437 N 0.25 0.37 0.00 2.45 2.10 -0.49 -2.96 117.51 119.22 1k9x h ILE 437 Ca -0.13 -0.74 -0.08 0.00 1.08 0.00 0.00 64.86 64.99 1k9x h ILE 437 Cb 1.67 1.55 -0.01 0.00 -1.09 0.00 0.00 36.82 38.93 1k9x h ILE 437 CO 0.19 0.12 -0.36 0.11 -1.08 0.00 0.00 178.15 177.13 1k9x h LYS 438 N 0.00 0.00 -0.01 2.19 1.57 -1.42 0.11 116.57 119.01 1k9x h LYS 438 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1k9x h LYS 438 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1k9x h LYS 438 CO 0.02 0.36 -0.19 0.36 -0.57 0.00 0.00 179.45 179.43 1k9x n LYS 439 N -3.50 0.78 -0.08 3.15 2.85 -1.12 -1.16 118.16 119.08 1k9x n LYS 439 Ca -0.00 -0.39 -0.09 0.00 -1.05 0.00 0.00 58.31 56.78 1k9x n LYS 439 Cb 0.51 -1.49 -0.12 0.00 -0.65 0.00 0.00 35.03 33.28 1k9x n LYS 439 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1k9x n ASP 440 N -0.77 1.40 -3.33 -5.58 8.00 -1.09 -4.65 116.55 110.52 1k9x n ASP 440 Ca 0.13 -0.03 -0.26 0.00 0.71 0.00 0.00 54.79 55.35 1k9x n ASP 440 Cb 0.32 0.60 -0.08 0.00 -0.02 0.00 0.00 41.12 41.94 1k9x n ASP 440 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1k9x n ILE 441 N -2.71 1.00 -0.37 0.53 5.41 0.37 -4.97 119.36 118.62 1k9x n ILE 441 Ca -0.28 -4.68 0.32 0.00 1.00 0.00 0.00 62.75 59.11 1k9x n ILE 441 Cb 0.99 -2.04 0.65 0.00 -0.71 0.00 0.00 39.64 38.53 1k9x n ILE 441 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1k9x h PRO 442 N 4.14 0.16 -0.98 0.38 0.13 -1.36 0.14 132.00 134.60 1k9x h PRO 442 Ca 0.14 -0.01 -0.33 0.00 -0.87 0.00 0.00 66.00 64.94 1k9x h PRO 442 Cb 0.76 -0.04 -0.19 0.00 0.13 0.00 0.00 31.00 31.66 1k9x h PRO 442 CO 0.67 0.10 0.41 -0.40 -0.23 0.00 0.00 178.00 178.56 1k9x n ASP 443 N -4.42 3.54 -0.25 1.44 5.75 -1.26 -4.65 116.55 116.71 1k9x n ASP 443 Ca 0.29 -3.05 -0.09 0.00 -0.01 0.00 0.00 54.79 51.93 1k9x n ASP 443 Cb 1.19 -0.72 -0.05 0.00 -1.03 0.00 0.00 41.12 40.50 1k9x n ASP 443 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 1k9x h PHE 444 N 0.79 -1.46 -0.73 2.11 3.57 -1.04 -1.07 116.94 119.11 1k9x h PHE 444 Ca 0.40 0.09 0.10 0.00 3.53 0.00 0.00 57.97 62.10 1k9x h PHE 444 Cb 2.21 0.73 -0.08 0.00 2.79 0.00 0.00 35.95 41.60 1k9x h PHE 444 CO 1.05 -0.43 0.35 0.93 -2.23 0.00 0.00 178.31 177.98 1k9x h GLU 445 N -0.20 0.56 -0.43 1.11 5.08 -1.86 -1.36 114.58 117.48 1k9x h GLU 445 Ca 0.17 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1k9x h GLU 445 Cb 0.55 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1k9x h GLU 445 CO -0.74 0.37 0.26 1.49 -1.00 0.00 0.00 179.01 179.39 1k9x h GLU 446 N 0.58 0.58 -0.29 2.33 4.57 -1.59 -2.03 114.58 118.73 1k9x h GLU 446 Ca 0.37 -0.04 -0.15 0.00 -1.18 0.00 0.00 59.36 58.36 1k9x h GLU 446 Cb 0.42 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1k9x h GLU 446 CO -0.29 0.40 -0.42 0.87 -1.18 0.00 0.00 179.01 178.39 1k9x h LYS 447 N 0.59 0.71 -0.21 1.92 1.57 -0.49 -2.45 116.57 118.22 1k9x h LYS 447 Ca 0.16 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 1k9x h LYS 447 Cb -0.03 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1k9x h LYS 447 CO -0.03 1.00 0.09 0.28 -0.57 0.00 0.00 179.45 180.21 1k9x h VAL 448 N 0.58 1.16 -0.49 0.50 2.07 -0.94 0.13 116.25 119.26 1k9x h VAL 448 Ca 0.04 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.12 1k9x h VAL 448 Cb 0.96 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1k9x h VAL 448 CO 0.09 0.16 0.33 0.00 0.02 0.00 0.00 177.57 178.16 1k9x h ALA 449 N 0.93 1.76 -0.02 1.67 0.00 -1.30 -2.12 119.26 120.19 1k9x h ALA 449 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1k9x h ALA 449 Cb 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1k9x h ALA 449 CO -0.01 0.18 -0.13 1.63 0.00 0.00 0.00 179.25 180.93 1k9x n LYS 450 N -4.47 1.69 -2.31 0.00 5.02 -0.93 -4.60 118.16 112.55 1k9x n LYS 450 Ca 0.05 -1.24 -0.12 0.00 -2.02 0.00 0.00 58.31 54.98 1k9x n LYS 450 Cb 0.14 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 33.67 1k9x n LYS 450 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k9x n ALA 451 N 0.43 -0.39 -3.06 7.82 0.00 0.13 -4.95 120.51 120.51 1k9x n ALA 451 Ca 0.14 0.11 -0.44 0.00 0.00 0.00 0.00 53.44 53.25 1k9x n ALA 451 Cb 0.46 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1k9x n ALA 451 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1k9x n GLU 452 N -2.22 3.90 0.09 0.00 1.02 0.21 -4.81 120.64 118.83 1k9x n GLU 452 Ca -0.13 -4.33 0.12 0.00 -0.02 0.00 0.00 57.16 52.81 1k9x n GLU 452 Cb 0.60 -2.63 0.28 0.00 -0.02 0.00 0.00 31.44 29.67 1k9x n GLU 452 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1k9x h PHE 453 N 6.13 0.00 -0.66 -0.32 -1.00 -1.86 -3.38 116.94 115.84 1k9x h PHE 453 Ca 0.23 0.00 0.10 0.00 2.81 0.00 0.00 57.97 61.11 1k9x h PHE 453 Cb 0.74 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.23 1k9x h PHE 453 CO 0.95 0.00 0.27 -0.44 -1.61 0.00 0.00 178.31 177.48 1k9x h ASP 454 N 0.00 0.29 0.42 2.17 3.32 -1.90 0.18 116.42 120.90 1k9x h ASP 454 Ca 0.00 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1k9x h ASP 454 Cb 0.76 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1k9x h ASP 454 CO 0.00 0.16 -0.39 1.55 -1.72 0.00 0.00 179.24 178.85 1k9x h PRO 455 N 0.46 0.00 -0.10 3.56 0.13 -1.99 0.12 132.00 134.18 1k9x h PRO 455 Ca 0.33 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.43 1k9x h PRO 455 Cb 0.41 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.54 1k9x h PRO 455 CO -0.31 0.39 -0.05 0.82 -0.23 0.00 0.00 178.00 178.61 1k9x h ILE 456 N 0.00 1.33 -0.80 -3.56 2.04 -1.41 -0.97 117.51 114.14 1k9x h ILE 456 Ca -0.00 -1.10 -0.04 0.00 1.00 0.00 0.00 64.86 64.71 1k9x h ILE 456 Cb 0.70 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.60 1k9x h ILE 456 CO 0.05 0.31 0.33 0.11 0.00 0.00 0.00 178.15 178.95 1k9x h LYS 457 N -0.17 1.20 -0.49 2.37 1.57 -0.52 -1.19 116.57 119.33 1k9x h LYS 457 Ca 0.02 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1k9x h LYS 457 Cb 0.52 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1k9x h LYS 457 CO 0.02 0.96 0.24 0.00 -0.57 0.00 0.00 179.45 180.10 1k9x h ALA 458 N 1.19 0.64 -0.38 3.86 0.00 -0.67 0.12 119.26 124.01 1k9x h ALA 458 Ca 0.27 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1k9x h ALA 458 Cb 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1k9x h ALA 458 CO -0.02 0.19 0.23 2.35 0.00 0.00 0.00 179.25 182.00 1k9x h TRP 459 N 0.65 0.44 -0.92 0.00 7.01 -0.80 0.29 115.95 122.62 1k9x h TRP 459 Ca 0.17 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.23 1k9x h TRP 459 Cb 0.11 -0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 26.97 1k9x h TRP 459 CO -0.01 0.26 0.59 -0.07 -2.79 0.00 0.00 178.44 176.42 1k9x h LEU 460 N 0.47 0.96 0.40 0.65 4.07 -0.75 -0.57 115.31 120.55 1k9x h LEU 460 Ca 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.09 1k9x h LEU 460 Cb -0.02 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.52 1k9x h LEU 460 CO -0.06 0.64 -0.19 -0.09 -1.08 0.00 0.00 178.44 177.66 1k9x h ARG 461 N 1.12 -0.52 -0.79 1.13 2.43 0.05 -0.05 114.38 117.74 1k9x h ARG 461 Ca 0.38 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.59 1k9x h ARG 461 Cb 0.07 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 1k9x h ARG 461 CO -0.14 -0.27 0.52 1.49 -1.51 0.00 0.00 179.97 180.06 1k9x h GLU 462 N -0.67 1.03 0.18 0.20 4.22 -0.74 -1.31 114.58 117.49 1k9x h GLU 462 Ca -0.06 -0.06 -0.26 0.00 0.08 0.00 0.00 59.36 59.06 1k9x h GLU 462 Cb 0.49 -0.23 0.03 0.00 0.50 0.00 0.00 28.75 29.53 1k9x h GLU 462 CO 0.09 0.68 -1.15 0.87 -2.18 0.00 0.00 179.01 177.33 1k9x h LYS 463 N 1.06 0.45 0.00 1.92 1.79 -1.11 -3.45 116.57 117.23 1k9x h LYS 463 Ca 0.29 -0.73 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1k9x h LYS 463 Cb -0.11 0.27 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1k9x h LYS 463 CO -0.07 1.34 0.00 -0.89 -1.08 0.00 0.00 179.45 178.75 1k9x n ILE 464 N -3.92 0.83 -0.17 1.86 2.08 -0.07 -4.62 119.36 115.36 1k9x n ILE 464 Ca -0.15 0.27 -0.03 0.00 0.56 0.00 0.00 62.75 63.40 1k9x n ILE 464 Cb 0.96 -1.35 0.03 0.00 -0.75 0.00 0.00 39.64 38.54 1k9x n ILE 464 CO 0.00 0.00 0.00 0.45 0.56 0.00 0.00 176.55 177.56 1k9x h HIS 465 N 0.00 -0.50 -0.97 1.39 3.86 -1.50 -2.68 115.15 114.75 1k9x h HIS 465 Ca 0.00 0.05 0.26 0.00 -1.16 0.00 0.00 60.37 59.53 1k9x h HIS 465 Cb 0.00 0.30 -0.06 0.00 1.06 0.00 0.00 27.41 28.71 1k9x h HIS 465 CO 0.00 -0.29 0.67 -0.09 0.86 0.00 0.00 177.93 179.08 1k9x h ARG 466 N -0.08 0.15 0.00 2.45 2.43 -1.33 -2.06 114.38 115.95 1k9x h ARG 466 Ca 0.25 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1k9x h ARG 466 Cb 0.46 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1k9x h ARG 466 CO -0.58 0.10 -0.10 0.91 -1.51 0.00 0.00 179.97 178.79 1k9x n TRP 467 N -4.37 0.02 0.00 2.20 7.02 -1.01 -4.25 117.44 117.05 1k9x n TRP 467 Ca 0.21 0.01 0.00 0.00 -1.02 0.00 0.00 57.50 56.70 1k9x n TRP 467 Cb 0.94 -0.46 0.00 0.00 -2.42 0.00 0.00 31.31 29.37 1k9x n TRP 467 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1k9x n GLY 468 N 1.49 3.05 1.44 6.99 0.00 -0.78 -1.07 105.19 116.32 1k9x n GLY 468 Ca 0.07 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.22 1k9x n GLY 468 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1k9x n SER 469 N 3.45 4.91 -0.05 1.61 7.64 -0.37 -3.90 113.62 126.91 1k9x n SER 469 Ca 0.00 -2.97 -0.09 0.00 1.01 0.00 0.00 58.87 56.83 1k9x n SER 469 Cb 0.00 -0.62 -0.02 0.00 -1.01 0.00 0.00 64.21 62.56 1k9x n SER 469 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1k9x h ILE 470 N 3.02 0.96 -4.00 0.44 2.04 -1.30 -3.43 117.51 115.23 1k9x h ILE 470 Ca 0.00 -0.07 -0.69 0.00 1.00 0.00 0.00 64.86 65.11 1k9x h ILE 470 Cb 1.74 0.74 -0.22 0.00 -0.74 0.00 0.00 36.82 38.34 1k9x h ILE 470 CO 0.37 0.04 -0.80 -0.31 0.00 0.00 0.00 178.15 177.45 1k9x s TYR 471 N -6.18 2.60 0.91 1.37 1.51 -1.26 -4.38 117.35 111.92 1k9x s TYR 471 Ca -0.13 -0.23 -0.12 0.00 -1.01 0.00 0.00 57.07 55.58 1k9x s TYR 471 Cb 0.10 -1.51 0.09 0.00 -0.11 0.00 0.00 41.96 40.52 1k9x s TYR 471 CO 0.69 0.23 0.83 -2.30 -1.11 0.00 0.00 175.55 173.89 1k9x n PRO 472 N 1.78 -0.30 -0.21 -1.71 -0.02 -1.26 -4.51 135.00 128.76 1k9x n PRO 472 Ca -0.16 -0.03 -0.03 0.00 -2.02 0.00 0.00 63.50 61.26 1k9x n PRO 472 Cb 0.52 -2.16 0.03 0.00 -0.02 0.00 0.00 33.50 31.88 1k9x n PRO 472 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1k9x h PRO 473 N -1.61 -0.09 -0.59 0.52 0.11 -1.93 0.11 132.00 128.51 1k9x h PRO 473 Ca -0.44 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.59 1k9x h PRO 473 Cb 1.28 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 1k9x h PRO 473 CO 0.39 -0.06 0.01 0.87 -0.21 0.00 0.00 178.00 179.00 1k9x h LYS 474 N -0.10 1.03 -0.29 1.05 1.57 -1.89 -1.59 116.57 116.35 1k9x h LYS 474 Ca 0.27 -0.32 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 1k9x h LYS 474 Cb 0.53 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1k9x h LYS 474 CO -0.68 1.01 -0.28 1.49 -0.57 0.00 0.00 179.45 180.42 1k9x h GLU 475 N 0.93 0.60 -0.25 3.15 4.81 -1.75 -1.81 114.58 120.26 1k9x h GLU 475 Ca 0.17 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1k9x h GLU 475 Cb 0.54 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1k9x h GLU 475 CO 0.03 0.82 0.15 1.25 -0.73 0.00 0.00 179.01 180.53 1k9x h LEU 476 N 0.52 0.30 -0.87 1.64 5.85 -0.56 0.09 115.31 122.28 1k9x h LEU 476 Ca 0.07 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1k9x h LEU 476 Cb 0.75 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1k9x h LEU 476 CO 0.06 0.26 0.09 -0.07 -0.34 0.00 0.00 178.44 178.44 1k9x h LEU 477 N 0.32 0.89 -1.11 2.25 3.38 -1.13 0.45 115.31 120.35 1k9x h LEU 477 Ca 0.09 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1k9x h LEU 477 Cb 0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1k9x h LEU 477 CO -0.02 0.89 0.05 0.50 0.09 0.00 0.00 178.44 179.95 1k9x h LYS 478 N 0.88 0.67 -0.04 1.13 3.64 -0.93 0.33 116.57 122.27 1k9x h LYS 478 Ca 0.18 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1k9x h LYS 478 Cb 0.39 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1k9x h LYS 478 CO 0.01 0.66 -0.02 0.87 -2.27 0.00 0.00 179.45 178.69 1k9x h LYS 479 N 0.64 0.08 -0.02 1.90 1.79 -0.25 -1.14 116.57 119.57 1k9x h LYS 479 Ca 0.14 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.49 1k9x h LYS 479 Cb 0.33 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.99 1k9x h LYS 479 CO 0.01 0.49 -0.31 0.00 -1.08 0.00 0.00 179.45 178.56 1k9x h ALA 480 N 0.59 0.06 -0.00 3.86 0.00 -0.73 -3.38 119.26 119.66 1k9x h ALA 480 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1k9x h ALA 480 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1k9x h ALA 480 CO 0.01 0.14 -0.72 -0.89 0.00 0.00 0.00 179.25 177.79 1k9x n ILE 481 N -4.46 0.00 -2.04 0.00 2.08 0.12 -4.99 119.36 110.07 1k9x n ILE 481 Ca -0.09 -0.14 -0.17 0.00 0.56 0.00 0.00 62.75 62.90 1k9x n ILE 481 Cb 0.52 1.02 -0.03 0.00 -0.75 0.00 0.00 39.64 40.40 1k9x n ILE 481 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1k9x n GLY 482 N 1.36 0.37 3.77 7.39 0.00 -0.43 -4.95 105.19 112.70 1k9x n GLY 482 Ca 0.03 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 1k9x n GLY 482 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1k9x s GLU 483 N -4.37 1.39 0.57 1.61 -1.05 -1.26 -5.00 118.70 110.59 1k9x s GLU 483 Ca 0.00 -0.75 0.04 0.00 -0.15 0.00 0.00 54.97 54.11 1k9x s GLU 483 Cb 0.00 0.49 0.06 0.00 -0.44 0.00 0.00 34.13 34.24 1k9x s GLU 483 CO 0.00 -0.64 0.78 -0.51 0.95 0.00 0.00 175.26 175.85 1k9x s ASP 484 N -2.90 5.11 0.00 0.83 -0.00 -1.26 -3.77 116.67 114.67 1k9x s ASP 484 Ca 0.11 -0.36 -0.33 0.00 -0.00 0.00 0.00 52.55 51.97 1k9x s ASP 484 Cb -0.03 -0.38 -0.11 0.00 -0.00 0.00 0.00 42.92 42.40 1k9x s ASP 484 CO 0.03 -1.27 1.84 0.80 -0.00 0.00 0.00 175.17 176.57 1k9x n MET 485 N -2.33 2.38 -3.71 8.23 0.00 -1.26 -4.95 117.12 115.47 1k9x n MET 485 Ca 0.11 0.87 -0.28 0.00 -0.00 0.00 0.00 57.70 58.40 1k9x n MET 485 Cb 0.60 -2.73 -0.16 0.00 0.00 0.00 0.00 33.22 30.93 1k9x n MET 485 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1k9x s ASP 486 N 3.46 3.30 0.62 6.12 2.15 -1.26 -5.00 116.67 126.05 1k9x s ASP 486 Ca 0.88 -1.10 0.33 0.00 0.43 0.00 0.00 52.55 53.09 1k9x s ASP 486 Cb -0.62 -0.64 1.78 0.00 -0.30 0.00 0.00 42.92 43.14 1k9x s ASP 486 CO 0.46 -0.35 2.00 0.00 -0.17 0.00 0.00 175.17 177.11 1k9x h ALA 487 N 8.22 1.20 -0.35 3.66 0.00 -1.92 -2.64 119.26 127.42 1k9x h ALA 487 Ca -0.16 0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.85 1k9x h ALA 487 Cb 1.08 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1k9x h ALA 487 CO 0.39 -0.20 0.25 0.93 0.00 0.00 0.00 179.25 180.62 1k9x h GLU 488 N 0.00 0.04 -0.53 0.00 4.39 -1.94 -2.29 114.58 114.26 1k9x h GLU 488 Ca 0.00 -0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1k9x h GLU 488 Cb 0.42 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 1k9x h GLU 488 CO 0.00 0.03 -0.02 1.88 -1.16 0.00 0.00 179.01 179.74 1k9x h TYR 489 N 0.04 0.99 -0.35 4.33 -1.99 -1.82 -1.43 116.97 116.74 1k9x h TYR 489 Ca 0.17 -0.16 -0.04 0.00 2.00 0.00 0.00 58.73 60.70 1k9x h TYR 489 Cb 0.61 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 39.06 1k9x h TYR 489 CO -0.00 0.90 0.07 0.35 -0.00 0.00 0.00 178.16 179.48 1k9x h PHE 490 N 0.84 0.61 -0.61 4.88 3.57 -1.64 0.97 116.94 125.56 1k9x h PHE 490 Ca 0.15 -0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1k9x h PHE 490 Cb 0.53 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 1k9x h PHE 490 CO 0.03 0.63 0.35 0.28 -2.23 0.00 0.00 178.31 177.37 1k9x h VAL 491 N 0.42 1.01 -0.20 1.41 2.07 -1.44 -0.25 116.25 119.28 1k9x h VAL 491 Ca 0.11 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1k9x h VAL 491 Cb 0.34 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1k9x h VAL 491 CO 0.01 0.12 0.08 -0.09 0.02 0.00 0.00 177.57 177.71 1k9x h ARG 492 N 0.67 0.30 -0.70 1.57 2.43 -0.94 -1.63 114.38 116.09 1k9x h ARG 492 Ca 0.26 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.44 1k9x h ARG 492 Cb 0.10 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 1k9x h ARG 492 CO -0.14 0.37 0.39 2.35 -1.51 0.00 0.00 179.97 181.42 1k9x h TRP 493 N 0.16 0.70 -0.28 2.20 7.01 -0.10 0.13 115.95 125.78 1k9x h TRP 493 Ca 0.07 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.07 1k9x h TRP 493 Cb 0.18 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 1k9x h TRP 493 CO -0.01 0.32 0.09 0.28 -2.79 0.00 0.00 178.44 176.32 1k9x h VAL 494 N 0.69 1.20 -0.31 2.65 2.07 -0.95 -0.54 116.25 121.06 1k9x h VAL 494 Ca 0.32 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 67.23 1k9x h VAL 494 Cb 0.24 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1k9x h VAL 494 CO -0.20 0.22 0.08 0.50 0.02 0.00 0.00 177.57 178.18 1k9x h LYS 495 N 0.29 0.20 -0.34 1.57 3.64 -0.68 0.49 116.57 121.75 1k9x h LYS 495 Ca 0.09 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1k9x h LYS 495 Cb 0.25 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1k9x h LYS 495 CO -0.00 0.13 0.03 1.49 -2.27 0.00 0.00 179.45 178.83 1k9x h GLU 496 N 0.21 0.51 0.15 1.90 4.81 -0.57 -2.27 114.58 119.32 1k9x h GLU 496 Ca 0.14 -0.10 -0.29 0.00 -0.13 0.00 0.00 59.36 58.99 1k9x h GLU 496 Cb 0.14 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.45 1k9x h GLU 496 CO -0.17 0.51 -1.31 -0.22 -0.73 0.00 0.00 179.01 177.09 1k9x h LYS 497 N 0.50 0.31 0.00 1.92 3.64 -0.32 -3.42 116.57 119.20 1k9x h LYS 497 Ca 0.11 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1k9x h LYS 497 Cb 0.27 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1k9x h LYS 497 CO 0.00 1.25 -0.20 0.66 -2.27 0.00 0.00 179.45 178.89 1k9x n TYR 498 N -3.55 0.00 1.97 1.91 4.02 0.09 -5.09 117.16 116.51 1k9x n TYR 498 Ca -0.11 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 57.94 1k9x n TYR 498 Cb 1.04 0.00 0.92 0.00 -0.02 0.00 0.00 39.34 41.28 1k9x n TYR 498 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13