#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 1.33 -3.66 6.31 2.07 -2.05 -3.39 116.25 116.87 1k9x h VAL 4 Ca 0.00 -1.40 -0.69 0.00 0.82 0.00 0.00 66.70 65.43 1k9x h VAL 4 Cb 0.00 1.81 -0.34 0.00 -1.52 0.00 0.00 31.29 31.24 1k9x h VAL 4 CO 0.00 0.43 -0.64 -0.36 0.02 0.00 0.00 177.57 177.01 1k9x s PHE 5 N -4.26 3.43 0.00 1.57 0.40 -1.26 -4.63 117.98 113.23 1k9x s PHE 5 Ca -0.13 -2.17 0.00 0.00 -0.60 0.00 0.00 56.93 54.02 1k9x s PHE 5 Cb 0.06 -2.60 0.00 0.00 0.51 0.00 0.00 43.02 40.99 1k9x s PHE 5 CO 0.79 -0.88 0.00 0.00 0.70 0.00 0.00 175.22 175.83 1k9x n GLN 6 N 4.58 3.85 -2.16 0.44 10.64 -1.26 -4.91 117.38 128.56 1k9x n GLN 6 Ca -0.07 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.68 1k9x n GLN 6 Cb 0.42 -0.64 -0.03 0.00 -0.86 0.00 0.00 30.24 29.13 1k9x n GLN 6 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1k9x s ASN 7 N -1.23 6.81 0.30 2.61 2.47 -1.26 -4.91 114.94 119.74 1k9x s ASN 7 Ca 0.00 2.33 0.06 0.00 0.42 0.00 0.00 52.86 55.67 1k9x s ASN 7 Cb 0.00 -2.58 0.75 0.00 -1.45 0.00 0.00 41.25 37.97 1k9x s ASN 7 CO 0.00 -0.67 1.77 -0.08 -3.72 0.00 0.00 177.10 174.40 1k9x h GLU 8 N 6.90 0.71 -0.12 0.43 4.81 -1.99 -1.29 114.58 124.02 1k9x h GLU 8 Ca -0.42 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 58.69 1k9x h GLU 8 Cb 1.21 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1k9x h GLU 8 CO 0.87 0.47 -0.24 1.15 -0.73 0.00 0.00 179.01 180.53 1k9x h THR 9 N 0.73 1.38 -0.86 0.32 2.02 -1.99 -2.25 112.91 112.27 1k9x h THR 9 Ca 0.59 -1.52 0.11 0.00 0.77 0.00 0.00 66.41 66.35 1k9x h THR 9 Cb 0.94 2.08 -0.08 0.00 -1.74 0.00 0.00 68.15 69.35 1k9x h THR 9 CO -0.40 0.44 0.49 0.40 0.37 0.00 0.00 175.52 176.83 1k9x h ILE 10 N -0.06 0.89 -0.36 3.11 1.08 -1.80 0.32 117.51 120.69 1k9x h ILE 10 Ca 0.00 -0.27 -0.02 0.00 -0.39 0.00 0.00 64.86 64.18 1k9x h ILE 10 Cb 0.83 0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.58 1k9x h ILE 10 CO 0.05 0.15 0.14 0.11 -0.69 0.00 0.00 178.15 177.91 1k9x h LYS 11 N 0.80 0.54 -0.80 2.37 1.57 -1.18 -0.25 116.57 119.62 1k9x h LYS 11 Ca 0.42 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1k9x h LYS 11 Cb 0.42 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 1k9x h LYS 11 CO -0.27 0.53 0.46 1.96 -0.57 0.00 0.00 179.45 181.57 1k9x h GLN 12 N 0.43 1.10 -0.67 3.15 4.20 -0.75 -1.10 115.11 121.48 1k9x h GLN 12 Ca 0.12 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 1k9x h GLN 12 Cb 0.20 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1k9x h GLN 12 CO -0.01 0.79 0.24 0.82 -0.67 0.00 0.00 178.83 180.00 1k9x h ILE 13 N 1.11 1.25 -0.08 2.54 2.04 -0.49 -2.55 117.51 121.33 1k9x h ILE 13 Ca 0.29 -0.81 -0.11 0.00 1.00 0.00 0.00 64.86 65.22 1k9x h ILE 13 Cb -0.01 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1k9x h ILE 13 CO -0.05 0.32 -0.47 -0.07 0.00 0.00 0.00 178.15 177.88 1k9x h LEU 14 N 0.95 0.20 -0.22 1.44 3.38 -0.29 -0.05 115.31 120.71 1k9x h LEU 14 Ca 0.22 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1k9x h LEU 14 Cb 0.25 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1k9x h LEU 14 CO -0.01 0.65 -0.40 0.00 0.09 0.00 0.00 178.44 178.77 1k9x h ALA 15 N 1.36 0.35 -0.54 1.53 0.00 -1.11 -1.95 119.26 118.90 1k9x h ALA 15 Ca 0.01 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1k9x h ALA 15 Cb 0.89 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1k9x h ALA 15 CO 0.07 0.45 0.09 0.87 0.00 0.00 0.00 179.25 180.73 1k9x h LYS 16 N 0.37 0.85 0.00 0.00 1.57 -1.30 -2.58 116.57 115.47 1k9x h LYS 16 Ca 0.01 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 1k9x h LYS 16 Cb 0.99 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1k9x h LYS 16 CO 0.09 0.80 -0.22 -0.92 -0.57 0.00 0.00 179.45 178.63 1k9x h TYR 17 N 0.81 0.00 -0.30 -1.35 3.20 -0.80 -2.82 116.97 115.71 1k9x h TYR 17 Ca 0.17 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.11 1k9x h TYR 17 Cb 0.36 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1k9x h TYR 17 CO 0.02 0.22 0.21 0.00 -1.64 0.00 0.00 178.16 176.97 1k9x h ARG 18 N 0.00 0.12 -0.38 1.82 3.08 -0.93 0.44 114.38 118.54 1k9x h ARG 18 Ca -0.00 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1k9x h ARG 18 Cb 0.47 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1k9x h ARG 18 CO 0.03 0.08 -0.14 -0.09 -1.07 0.00 0.00 179.97 178.78 1k9x h ARG 19 N 0.12 0.76 -0.41 0.04 2.43 -1.63 0.18 114.38 115.87 1k9x h ARG 19 Ca 0.14 -0.31 -0.06 0.00 -0.81 0.00 0.00 59.98 58.94 1k9x h ARG 19 Cb 0.40 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1k9x h ARG 19 CO -0.02 0.92 0.02 0.82 -1.51 0.00 0.00 179.97 180.20 1k9x h ILE 20 N 0.55 1.26 -0.10 1.20 2.04 -1.14 -1.70 117.51 119.62 1k9x h ILE 20 Ca 0.09 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1k9x h ILE 20 Cb 0.67 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1k9x h ILE 20 CO 0.05 0.33 0.06 -0.25 0.00 0.00 0.00 178.15 178.34 1k9x h TRP 21 N 0.55 0.13 -0.42 1.37 7.01 -0.06 -2.04 115.95 122.49 1k9x h TRP 21 Ca 0.12 0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.21 1k9x h TRP 21 Cb 0.45 -0.04 -0.08 0.00 -2.10 0.00 0.00 29.16 27.39 1k9x h TRP 21 CO 0.03 0.10 -0.13 0.00 -2.79 0.00 0.00 178.44 175.65 1k9x h ALA 22 N 1.02 0.23 -0.46 2.65 0.00 -0.44 0.14 119.26 122.40 1k9x h ALA 22 Ca 0.04 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1k9x h ALA 22 Cb 0.00 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1k9x h ALA 22 CO -0.01 -0.48 0.31 0.82 0.00 0.00 0.00 179.25 179.89 1k9x h ILE 23 N -0.04 1.06 -0.23 0.00 2.04 -1.06 -1.02 117.51 118.27 1k9x h ILE 23 Ca 0.20 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.77 1k9x h ILE 23 Cb 0.34 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1k9x h ILE 23 CO -0.45 0.10 -0.31 1.23 0.00 0.00 0.00 178.15 178.72 1k9x h GLY 24 N 0.54 0.50 0.92 5.37 0.00 -0.04 -2.00 103.07 108.36 1k9x h GLY 24 Ca 0.18 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 1k9x h GLY 24 CO -0.04 0.40 0.05 0.84 0.00 0.00 0.00 176.54 177.79 1k9x h HIS 25 N 0.40 0.66 0.07 5.60 -0.00 0.09 -1.55 115.15 120.42 1k9x h HIS 25 Ca 0.05 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 1k9x h HIS 25 Cb 0.74 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.96 1k9x h HIS 25 CO 0.02 0.67 -0.07 0.00 -0.00 0.00 0.00 177.93 178.56 1k9x h ALA 26 N 0.91 -0.13 -0.33 5.26 0.00 -1.22 -2.33 119.26 121.42 1k9x h ALA 26 Ca 0.11 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1k9x h ALA 26 Cb 0.37 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1k9x h ALA 26 CO 0.01 -0.58 -0.05 1.96 0.00 0.00 0.00 179.25 180.59 1k9x h GLN 27 N -0.15 0.04 -0.90 0.00 1.08 -1.23 0.19 115.11 114.14 1k9x h GLN 27 Ca 0.00 -0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.29 1k9x h GLN 27 Cb 0.15 -0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.50 1k9x h GLN 27 CO -0.02 0.03 0.55 0.77 -0.95 0.00 0.00 178.83 179.21 1k9x h SER 28 N 0.04 0.83 -0.26 1.46 0.02 -1.11 0.24 113.55 114.77 1k9x h SER 28 Ca 0.16 0.03 -0.19 0.00 -0.84 0.00 0.00 61.79 60.95 1k9x h SER 28 Cb 0.23 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1k9x h SER 28 CO -0.31 0.49 -0.57 0.58 -1.14 0.00 0.00 176.83 175.88 1k9x h VAL 29 N 0.94 1.28 -0.63 2.27 2.07 -0.81 0.42 116.25 121.79 1k9x h VAL 29 Ca 0.42 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1k9x h VAL 29 Cb 0.31 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1k9x h VAL 29 CO -0.22 0.57 0.41 -0.07 0.02 0.00 0.00 177.57 178.28 1k9x h LEU 30 N 0.65 0.74 -0.15 2.57 4.07 0.28 0.31 115.31 123.78 1k9x h LEU 30 Ca 0.01 -0.03 -0.08 0.00 0.08 0.00 0.00 57.88 57.86 1k9x h LEU 30 Cb 1.18 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.73 1k9x h LEU 30 CO 0.13 0.55 -0.22 1.23 -1.08 0.00 0.00 178.44 179.04 1k9x h GLY 31 N 0.86 0.45 0.69 0.83 0.00 -0.45 -1.65 103.07 103.80 1k9x h GLY 31 Ca 0.23 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1k9x h GLY 31 CO -0.05 0.45 -0.29 -0.25 0.00 0.00 0.00 176.54 176.39 1k9x h TRP 32 N 0.03 -0.79 -0.71 5.60 7.01 -0.79 -2.35 115.95 123.96 1k9x h TRP 32 Ca 0.01 0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.11 1k9x h TRP 32 Cb 0.78 0.30 -0.05 0.00 -2.10 0.00 0.00 29.16 28.10 1k9x h TRP 32 CO 0.09 -0.43 0.47 0.22 -2.79 0.00 0.00 178.44 176.01 1k9x h ASP 33 N -0.63 0.55 -0.02 2.65 1.82 -0.96 -0.52 116.42 119.32 1k9x h ASP 33 Ca -0.02 0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.66 1k9x h ASP 33 Cb 0.57 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.44 1k9x h ASP 33 CO -0.05 0.34 -0.16 0.25 -1.61 0.00 0.00 179.24 178.01 1k9x h LEU 34 N 0.62 -0.47 -0.73 2.28 7.12 -0.78 0.55 115.31 123.91 1k9x h LEU 34 Ca 0.32 0.07 -0.13 0.00 0.13 0.00 0.00 57.88 58.27 1k9x h LEU 34 Cb 0.44 0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.76 1k9x h LEU 34 CO -0.11 -0.22 -0.51 -0.33 -0.13 0.00 0.00 178.44 177.14 1k9x h GLU 35 N -0.25 0.32 0.01 1.25 4.39 -0.98 -3.36 114.58 115.95 1k9x h GLU 35 Ca 0.06 -0.19 -0.40 0.00 0.34 0.00 0.00 59.36 59.17 1k9x h GLU 35 Cb 0.33 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.93 1k9x h GLU 35 CO -0.16 0.76 -2.42 0.28 -1.16 0.00 0.00 179.01 176.30 1k9x n VAL 36 N -3.95 1.53 0.00 3.13 0.31 -0.28 -4.54 118.33 114.53 1k9x n VAL 36 Ca -0.02 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 1k9x n VAL 36 Cb 0.56 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 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 -3.51 4.59 -4.62 4.52 3.02 0.04 -4.99 115.26 114.30 1k9x n ASN 37 Ca -0.46 0.00 -0.48 0.00 -0.03 0.00 0.00 54.58 53.61 1k9x n ASN 37 Cb 0.97 0.81 -0.05 0.00 -0.61 0.00 0.00 39.78 40.90 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 -1.50 1.95 -1.73 3.52 1.56 -0.33 -4.92 117.12 115.66 1k9x n MET 38 Ca 0.00 0.66 -0.40 0.00 -0.27 0.00 0.00 57.70 57.69 1k9x n MET 38 Cb 0.11 -2.72 0.02 0.00 2.15 0.00 0.00 33.22 32.79 1k9x n MET 38 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1k9x n PRO 39 N 7.32 1.99 -0.34 2.12 -0.04 -1.26 -4.84 135.00 139.95 1k9x n PRO 39 Ca 0.27 0.72 0.21 0.00 -0.04 0.00 0.00 63.50 64.66 1k9x n PRO 39 Cb 0.31 -2.52 0.44 0.00 -0.04 0.00 0.00 33.50 31.68 1k9x n PRO 39 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1k9x h LYS 40 N 2.00 0.46 0.00 0.54 2.10 -1.97 -0.96 116.57 118.73 1k9x h LYS 40 Ca -0.50 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 1k9x h LYS 40 Cb 1.29 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1k9x h LYS 40 CO 0.59 0.30 0.00 0.39 -2.00 0.00 0.00 179.45 178.74 1k9x n GLU 41 N -4.88 0.90 0.00 0.07 1.02 -1.26 -2.86 120.64 113.63 1k9x n GLU 41 Ca 0.28 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.56 1k9x n GLU 41 Cb 0.85 -1.30 0.61 0.00 -0.02 0.00 0.00 31.44 31.58 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 0.64 -0.77 0.17 0.62 0.00 -0.37 -4.27 105.19 101.21 1k9x n GLY 42 Ca 0.13 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 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 0.84 0.91 0.34 -0.61 -0.00 -1.72 -1.81 117.51 115.46 1k9x h ILE 43 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 64.86 64.75 1k9x h ILE 43 Cb 0.36 0.55 -0.03 0.00 -0.00 0.00 0.00 36.82 37.70 1k9x h ILE 43 CO 0.00 0.06 -0.42 0.25 -0.00 0.00 0.00 178.15 178.04 1k9x h LEU 44 N 0.32 -1.16 -1.19 2.19 5.85 -1.87 0.35 115.31 119.80 1k9x h LEU 44 Ca 0.18 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 1k9x h LEU 44 Cb 0.14 0.40 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1k9x h LEU 44 CO -0.17 -0.55 0.09 -0.33 -0.34 0.00 0.00 178.44 177.15 1k9x h GLU 45 N -0.80 0.66 -0.29 1.25 5.08 -1.85 -1.91 114.58 116.71 1k9x h GLU 45 Ca -0.02 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1k9x h GLU 45 Cb 0.73 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1k9x h GLU 45 CO -0.11 0.61 0.15 -0.09 -1.00 0.00 0.00 179.01 178.57 1k9x h ARG 46 N 0.64 0.41 -0.73 2.33 9.65 -0.93 -2.30 114.38 123.45 1k9x h ARG 46 Ca 0.14 -0.05 0.04 0.00 -1.10 0.00 0.00 59.98 59.01 1k9x h ARG 46 Cb 0.26 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.71 1k9x h ARG 46 CO -0.00 0.37 0.45 0.77 2.80 0.00 0.00 179.97 184.35 1k9x h SER 47 N 0.34 0.71 0.06 -3.80 0.02 0.36 -1.74 113.55 109.51 1k9x h SER 47 Ca 0.10 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.91 1k9x h SER 47 Cb 0.08 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1k9x h SER 47 CO -0.01 0.48 -0.50 -0.37 -1.14 0.00 0.00 176.83 175.28 1k9x h VAL 48 N 0.85 1.32 -0.30 2.27 -1.51 -1.25 -1.58 116.25 116.05 1k9x h VAL 48 Ca 0.31 -1.73 -0.01 0.00 -1.23 0.00 0.00 66.70 64.03 1k9x h VAL 48 Cb 0.08 1.72 -0.01 0.00 -2.13 0.00 0.00 31.29 30.95 1k9x h VAL 48 CO -0.14 0.53 0.13 0.00 -1.23 0.00 0.00 177.57 176.87 1k9x h ALA 49 N 1.07 0.39 -0.25 5.19 0.00 -1.08 -0.31 119.26 124.27 1k9x h ALA 49 Ca 0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1k9x h ALA 49 Cb 1.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1k9x h ALA 49 CO 0.09 -0.03 0.15 1.96 0.00 0.00 0.00 179.25 181.42 1k9x h GLN 50 N 0.35 0.33 0.10 0.00 4.20 -1.26 -0.80 115.11 118.03 1k9x h GLN 50 Ca 0.10 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.80 1k9x h GLN 50 Cb 0.15 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 1k9x h GLN 50 CO -0.01 0.26 -0.27 0.78 -0.67 0.00 0.00 178.83 178.92 1k9x h GLY 51 N 0.31 -0.49 0.27 3.46 0.00 -1.02 0.48 103.07 106.09 1k9x h GLY 51 Ca 0.09 0.32 0.08 0.00 0.00 0.00 0.00 47.33 47.82 1k9x h GLY 51 CO -0.02 -0.22 0.00 0.83 0.00 0.00 0.00 176.54 177.13 1k9x h GLU 52 N -0.47 0.11 -0.65 4.80 4.39 -0.91 -1.37 114.58 120.48 1k9x h GLU 52 Ca 0.04 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.74 1k9x h GLU 52 Cb 0.51 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 1k9x h GLU 52 CO -0.17 0.07 0.42 -0.07 -1.16 0.00 0.00 179.01 178.10 1k9x h LEU 53 N 0.12 0.71 -0.40 1.33 3.38 -0.73 -0.70 115.31 119.01 1k9x h LEU 53 Ca 0.22 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.22 1k9x h LEU 53 Cb 0.32 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1k9x h LEU 53 CO -0.37 0.50 0.19 0.28 0.09 0.00 0.00 178.44 179.14 1k9x h SER 54 N 0.84 0.27 -0.64 -0.43 0.02 -0.05 -0.40 113.55 113.17 1k9x h SER 54 Ca 0.25 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.16 1k9x h SER 54 Cb -0.05 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 1k9x h SER 54 CO -0.07 0.20 0.15 0.58 -1.14 0.00 0.00 176.83 176.55 1k9x h VAL 55 N 0.39 1.25 0.28 2.27 2.07 -0.97 -2.18 116.25 119.37 1k9x h VAL 55 Ca 0.17 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1k9x h VAL 55 Cb 0.09 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1k9x h VAL 55 CO -0.13 0.36 -0.14 0.25 0.02 0.00 0.00 177.57 177.93 1k9x h LEU 56 N 0.99 -0.32 -1.09 2.57 6.46 -0.50 -1.49 115.31 121.93 1k9x h LEU 56 Ca 0.21 -0.04 0.05 0.00 -0.12 0.00 0.00 57.88 57.98 1k9x h LEU 56 Cb 0.36 0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.31 1k9x h LEU 56 CO 0.00 -0.17 0.61 0.77 -0.62 0.00 0.00 178.44 179.04 1k9x h SER 57 N -0.46 0.99 -0.43 1.25 4.64 -0.98 -0.87 113.55 117.70 1k9x h SER 57 Ca -0.04 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1k9x h SER 57 Cb 0.34 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1k9x h SER 57 CO 0.06 0.66 0.17 -0.74 -0.87 0.00 0.00 176.83 176.12 1k9x h HIS 58 N 1.14 0.65 0.02 4.77 -0.00 -1.25 -0.76 115.15 119.72 1k9x h HIS 58 Ca 0.39 -0.05 0.03 0.00 -0.00 0.00 0.00 60.37 60.74 1k9x h HIS 58 Cb 0.09 -0.20 -0.05 0.00 -0.00 0.00 0.00 27.41 27.25 1k9x h HIS 58 CO -0.00 0.56 -0.29 1.49 -0.00 0.00 0.00 177.93 179.69 1k9x h GLU 59 N 0.55 -0.44 -0.71 5.26 4.81 -0.29 -1.39 114.58 122.38 1k9x h GLU 59 Ca 0.14 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1k9x h GLU 59 Cb 0.19 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 1k9x h GLU 59 CO -0.01 -0.29 0.43 -0.07 -0.73 0.00 0.00 179.01 178.34 1k9x h LEU 60 N -0.45 0.68 -1.41 1.64 3.38 -1.03 -1.10 115.31 117.02 1k9x h LEU 60 Ca 0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1k9x h LEU 60 Cb 0.53 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1k9x h LEU 60 CO -0.23 0.46 0.39 0.25 0.09 0.00 0.00 178.44 179.39 1k9x h LEU 61 N 0.82 0.68 -2.38 1.67 5.85 -0.54 -2.64 115.31 118.78 1k9x h LEU 61 Ca 0.30 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1k9x h LEU 61 Cb 0.08 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1k9x h LEU 61 CO -0.13 0.50 0.00 0.18 -0.34 0.00 0.00 178.44 178.64 1k9x n LEU 62 N -4.44 3.49 -4.71 2.25 7.99 -0.58 -4.54 117.00 116.46 1k9x n LEU 62 Ca 0.06 -1.67 -0.42 0.00 -0.01 0.00 0.00 56.01 53.97 1k9x n LEU 62 Cb 0.05 -0.38 -0.03 0.00 -0.11 0.00 0.00 43.42 42.95 1k9x n LEU 62 CO 0.36 0.83 1.33 -2.28 -1.51 0.00 0.00 177.39 176.13 1k9x s HIS 63 N -1.24 2.75 0.46 -1.77 2.46 -0.47 -4.80 115.29 112.68 1k9x s HIS 63 Ca 0.43 0.37 0.30 0.00 0.47 0.00 0.00 55.06 56.64 1k9x s HIS 63 Cb 0.23 -4.04 1.39 0.00 -0.13 0.00 0.00 32.58 30.03 1k9x s HIS 63 CO 0.31 -4.02 1.71 -1.35 -2.47 0.00 0.00 174.74 168.91 1k9x h PRO 64 N 7.36 0.15 -0.29 2.88 0.11 -1.91 0.90 132.00 141.20 1k9x h PRO 64 Ca -0.43 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 1k9x h PRO 64 Cb 1.20 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1k9x h PRO 64 CO 0.94 0.10 -0.28 0.93 -0.21 0.00 0.00 178.00 179.47 1k9x h GLU 65 N 0.15 0.70 -0.14 1.05 5.08 -1.96 -1.59 114.58 117.87 1k9x h GLU 65 Ca 0.70 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 58.63 1k9x h GLU 65 Cb 2.29 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.55 1k9x h GLU 65 CO -0.23 0.98 -0.12 0.35 -1.00 0.00 0.00 179.01 178.99 1k9x h PHE 66 N 0.45 0.40 -0.47 4.33 3.57 -1.19 -2.04 116.94 121.99 1k9x h PHE 66 Ca 0.05 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1k9x h PHE 66 Cb 0.85 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 1k9x h PHE 66 CO 0.07 0.71 0.26 -0.39 -2.23 0.00 0.00 178.31 176.73 1k9x h VAL 67 N -0.03 1.16 -0.57 1.41 -1.51 -1.29 -2.58 116.25 112.85 1k9x h VAL 67 Ca 0.03 -0.42 0.02 0.00 -1.23 0.00 0.00 66.70 65.09 1k9x h VAL 67 Cb 0.63 0.59 -0.03 0.00 -2.13 0.00 0.00 31.29 30.35 1k9x h VAL 67 CO 0.03 0.17 0.36 0.78 -1.23 0.00 0.00 177.57 177.68 1k9x h ASN 68 N 0.61 0.60 -0.82 4.19 2.35 -1.28 -1.50 115.58 119.74 1k9x h ASN 68 Ca 0.16 -0.01 0.08 0.00 -0.55 0.00 0.00 56.30 55.99 1k9x h ASN 68 Cb 0.05 -0.14 -0.07 0.00 0.05 0.00 0.00 38.32 38.22 1k9x h ASN 68 CO -0.03 0.43 0.48 -0.07 -1.65 0.00 0.00 177.43 176.59 1k9x h LEU 69 N 0.72 0.71 -0.56 1.61 3.38 -1.15 -1.19 115.31 118.84 1k9x h LEU 69 Ca 0.22 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 1k9x h LEU 69 Cb -0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1k9x h LEU 69 CO -0.07 0.43 0.17 0.58 0.09 0.00 0.00 178.44 179.64 1k9x h VAL 70 N 0.83 1.24 -0.22 1.22 2.07 -1.00 -1.33 116.25 119.06 1k9x h VAL 70 Ca 0.38 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 1k9x h VAL 70 Cb 0.28 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1k9x h VAL 70 CO -0.22 0.30 -0.04 -0.33 0.02 0.00 0.00 177.57 177.30 1k9x h GLU 71 N 0.78 0.34 -0.08 1.57 4.39 -0.59 -0.02 114.58 120.97 1k9x h GLU 71 Ca 0.18 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 1k9x h GLU 71 Cb 0.29 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1k9x h GLU 71 CO -0.01 0.40 -0.04 -0.22 -1.16 0.00 0.00 179.01 177.99 1k9x h LYS 72 N 0.33 0.16 -0.47 2.33 3.64 -0.82 -3.03 116.57 118.70 1k9x h LYS 72 Ca 0.07 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1k9x h LYS 72 Cb 0.29 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1k9x h LYS 72 CO 0.01 0.52 0.06 0.00 -2.27 0.00 0.00 179.45 177.78 1k9x h ALA 73 N 0.63 1.23 -0.54 5.00 0.00 -0.99 -1.72 119.26 122.87 1k9x h ALA 73 Ca 0.02 -0.22 0.16 0.00 0.00 0.00 0.00 54.91 54.87 1k9x h ALA 73 Cb 0.48 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1k9x h ALA 73 CO 0.01 0.52 0.43 -0.22 0.00 0.00 0.00 179.25 179.99 1k9x h LYS 74 N 0.70 0.00 -0.02 0.00 3.64 -0.89 0.53 116.57 120.53 1k9x h LYS 74 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1k9x h LYS 74 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1k9x h LYS 74 CO 0.01 0.00 -0.06 0.41 -2.27 0.00 0.00 179.45 177.54 1k9x n GLY 75 N -1.60 0.43 3.79 5.01 0.00 -0.65 -4.95 105.19 107.22 1k9x n GLY 75 Ca 0.10 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1k9x n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k9x s LEU 76 N -2.08 3.97 -0.01 0.99 1.43 0.17 -4.97 118.68 118.18 1k9x s LEU 76 Ca 0.31 2.00 0.18 0.00 -1.03 0.00 0.00 54.13 55.58 1k9x s LEU 76 Cb 0.20 -4.39 -0.24 0.00 0.03 0.00 0.00 46.19 41.79 1k9x s LEU 76 CO 0.35 -0.68 0.54 -0.62 0.23 0.00 0.00 176.35 176.17 1k9x n GLU 77 N -0.58 0.84 -1.11 1.70 1.02 -1.26 -4.62 120.64 116.62 1k9x n GLU 77 Ca 0.07 -0.10 -0.23 0.00 -0.02 0.00 0.00 57.16 56.89 1k9x n GLU 77 Cb 0.51 -1.38 0.14 0.00 -0.02 0.00 0.00 31.44 30.69 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 -1.83 4.50 -4.84 1.62 0.23 -1.26 -5.00 115.26 108.68 1k9x n ASN 78 Ca -0.01 -3.46 -0.38 0.00 -0.53 0.00 0.00 54.58 50.21 1k9x n ASN 78 Cb 0.39 -0.84 -0.06 0.00 -2.08 0.00 0.00 39.78 37.18 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 -3.00 4.45 0.88 -4.53 1.43 -1.26 -5.01 118.68 111.64 1k9x s LEU 79 Ca 0.52 0.85 -0.13 0.00 -1.03 0.00 0.00 54.13 54.34 1k9x s LEU 79 Cb 0.43 -2.48 0.12 0.00 0.03 0.00 0.00 46.19 44.29 1k9x s LEU 79 CO 0.07 0.33 1.17 0.54 0.23 0.00 0.00 176.35 178.70 1k9x s ASN 80 N -0.98 3.83 0.42 2.29 2.20 -1.26 -4.77 114.94 116.67 1k9x s ASN 80 Ca 0.22 0.80 0.09 0.00 -0.94 0.00 0.00 52.86 53.02 1k9x s ASN 80 Cb -0.16 -1.27 0.90 0.00 -2.00 0.00 0.00 41.25 38.72 1k9x s ASN 80 CO 0.11 -2.33 2.05 1.05 -2.94 0.00 0.00 177.10 175.03 1k9x h GLU 81 N -1.35 0.42 -0.21 3.55 4.11 -1.98 -0.29 114.58 118.82 1k9x h GLU 81 Ca -0.48 -0.04 -0.13 0.00 0.07 0.00 0.00 59.36 58.78 1k9x h GLU 81 Cb 1.32 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1k9x h GLU 81 CO 0.60 0.32 -0.38 1.88 0.07 0.00 0.00 179.01 181.49 1k9x h TYR 82 N 0.43 0.79 -0.69 2.06 0.99 -1.92 -1.33 116.97 117.29 1k9x h TYR 82 Ca 0.11 -0.28 -0.06 0.00 2.00 0.00 0.00 58.73 60.50 1k9x h TYR 82 Cb 0.02 -0.15 -0.03 0.00 1.00 0.00 0.00 36.73 37.57 1k9x h TYR 82 CO 0.00 1.04 0.19 0.93 -0.00 0.00 0.00 178.16 180.32 1k9x h GLU 83 N 0.32 1.08 0.00 4.88 5.08 -1.72 -1.17 114.58 123.06 1k9x h GLU 83 Ca 0.01 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 1k9x h GLU 83 Cb 0.98 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1k9x h GLU 83 CO 0.09 0.94 -0.34 0.00 -1.00 0.00 0.00 179.01 178.70 1k9x h ARG 84 N 1.03 0.00 -0.29 2.33 3.08 -0.96 -2.58 114.38 116.99 1k9x h ARG 84 Ca 0.22 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 1k9x h ARG 84 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1k9x h ARG 84 CO -0.00 0.34 0.11 0.78 -1.07 0.00 0.00 179.97 180.13 1k9x h GLY 85 N 1.10 0.47 0.49 0.04 0.00 -0.04 -1.24 103.07 103.89 1k9x h GLY 85 Ca -0.00 -0.26 0.05 0.00 0.00 0.00 0.00 47.33 47.12 1k9x h GLY 85 CO 0.04 0.24 -0.06 -2.22 0.00 0.00 0.00 176.54 174.55 1k9x h ILE 86 N 0.32 0.74 -0.40 2.60 2.04 -1.02 -1.16 117.51 120.63 1k9x h ILE 86 Ca 0.10 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1k9x h ILE 86 Cb 0.19 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1k9x h ILE 86 CO -0.01 0.00 0.26 0.58 0.00 0.00 0.00 178.15 178.99 1k9x h VAL 87 N 0.01 1.11 0.03 1.67 2.07 -1.32 -2.30 116.25 117.51 1k9x h VAL 87 Ca 0.13 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1k9x h VAL 87 Cb 0.19 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1k9x h VAL 87 CO -0.26 0.10 -0.02 -0.09 0.02 0.00 0.00 177.57 177.32 1k9x h ARG 88 N 0.54 -0.04 -0.18 1.57 2.43 -0.88 0.60 114.38 118.41 1k9x h ARG 88 Ca 0.15 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1k9x h ARG 88 Cb -0.06 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1k9x h ARG 88 CO -0.03 -0.03 0.04 0.28 -1.51 0.00 0.00 179.97 178.72 1k9x h VAL 89 N -0.05 0.93 -0.47 0.20 2.07 -1.17 -2.26 116.25 115.50 1k9x h VAL 89 Ca -0.00 -0.04 -0.14 0.00 0.82 0.00 0.00 66.70 67.34 1k9x h VAL 89 Cb 0.04 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1k9x h VAL 89 CO -0.00 0.02 -0.25 -0.07 0.02 0.00 0.00 177.57 177.30 1k9x h LEU 90 N 0.12 1.03 -1.11 2.57 3.38 -1.34 -2.14 115.31 117.83 1k9x h LEU 90 Ca 0.08 -0.41 0.09 0.00 0.09 0.00 0.00 57.88 57.73 1k9x h LEU 90 Cb 0.07 -0.29 -0.07 0.00 0.09 0.00 0.00 40.66 40.46 1k9x h LEU 90 CO -0.10 1.21 0.61 -0.78 0.09 0.00 0.00 178.44 179.47 1k9x h ASP 91 N 0.85 0.90 -0.10 -0.43 -0.00 -0.71 -0.15 116.42 116.78 1k9x h ASP 91 Ca 0.10 0.02 -0.23 0.00 -0.00 0.00 0.00 57.03 56.92 1k9x h ASP 91 Cb 0.83 -0.16 0.01 0.00 -0.00 0.00 0.00 39.33 40.01 1k9x h ASP 91 CO 0.07 0.54 -0.84 -0.09 -0.00 0.00 0.00 179.24 178.92 1k9x h ARG 92 N 1.00 0.77 -0.72 0.28 2.43 -1.16 -2.50 114.38 114.47 1k9x h ARG 92 Ca 0.43 -0.66 -0.07 0.00 -0.81 0.00 0.00 59.98 58.87 1k9x h ARG 92 Cb 0.34 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1k9x h ARG 92 CO -0.19 1.26 0.19 0.77 -1.51 0.00 0.00 179.97 180.49 1k9x h SER 93 N 0.50 1.07 -0.52 -3.80 0.02 -0.89 -2.26 113.55 107.68 1k9x h SER 93 Ca -0.07 -0.22 -0.10 0.00 -0.84 0.00 0.00 61.79 60.56 1k9x h SER 93 Cb 1.47 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 1k9x h SER 93 CO 0.17 1.02 -0.08 0.40 -1.14 0.00 0.00 176.83 177.20 1k9x h ILE 94 N 1.08 1.27 -0.69 3.27 2.04 -1.08 0.09 117.51 123.49 1k9x h ILE 94 Ca 0.23 -1.22 -0.06 0.00 1.00 0.00 0.00 64.86 64.81 1k9x h ILE 94 Cb 0.36 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1k9x h ILE 94 CO -0.00 0.43 0.22 -0.09 0.00 0.00 0.00 178.15 178.70 1k9x h ARG 95 N 0.84 1.07 -0.08 2.37 2.43 -1.27 -2.20 114.38 117.55 1k9x h ARG 95 Ca 0.14 -0.23 -0.12 0.00 -0.81 0.00 0.00 59.98 58.96 1k9x h ARG 95 Cb 0.63 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1k9x h ARG 95 CO 0.04 0.93 -0.40 0.82 -1.51 0.00 0.00 179.97 179.85 1k9x h ILE 96 N 1.01 1.40 -0.01 1.20 2.04 -1.33 -2.74 117.51 119.09 1k9x h ILE 96 Ca 0.22 -1.77 0.00 0.00 1.00 0.00 0.00 64.86 64.31 1k9x h ILE 96 Cb 0.30 2.27 -0.00 0.00 -0.74 0.00 0.00 36.82 38.65 1k9x h ILE 96 CO -0.01 0.52 0.05 0.00 0.00 0.00 0.00 178.15 178.71 1k9x h ALA 97 N 0.45 1.18 -0.03 1.87 0.00 -0.86 -2.36 119.26 119.50 1k9x h ALA 97 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1k9x h ALA 97 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1k9x h ALA 97 CO 0.08 -0.05 0.00 2.89 0.00 0.00 0.00 179.25 182.17 1k9x n ARG 98 N -3.24 1.85 0.06 0.00 1.85 -0.84 -4.59 116.66 111.75 1k9x n ARG 98 Ca -0.03 -2.34 -0.07 0.00 -1.00 0.00 0.00 57.85 54.42 1k9x n ARG 98 Cb 0.12 -1.41 -0.12 0.00 -1.05 0.00 0.00 32.46 30.01 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 0.20 0.41 -3.20 2.89 0.00 -1.10 -3.44 119.26 115.02 1k9x h ALA 99 Ca 0.00 -0.95 -0.61 0.00 0.00 0.00 0.00 54.91 53.36 1k9x h ALA 99 Cb 0.91 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.49 1k9x h ALA 99 CO 0.02 1.25 -0.49 -0.06 0.00 0.00 0.00 179.25 179.98 1k9x s PHE 100 N -2.71 3.38 0.74 0.00 2.99 -1.26 -4.68 117.98 116.44 1k9x s PHE 100 Ca 0.01 0.31 -0.15 0.00 0.00 0.00 0.00 56.93 57.10 1k9x s PHE 100 Cb 0.10 -2.20 0.05 0.00 0.00 0.00 0.00 43.02 40.96 1k9x s PHE 100 CO 0.82 0.22 1.21 -2.14 -0.00 0.00 0.00 175.22 175.32 1k9x s PRO 101 N 0.59 2.06 0.26 0.24 0.02 -1.26 -4.80 135.00 132.12 1k9x s PRO 101 Ca 0.08 1.75 -0.03 0.00 0.02 0.00 0.00 61.00 62.83 1k9x s PRO 101 Cb -0.12 -1.83 0.39 0.00 0.02 0.00 0.00 34.50 32.97 1k9x s PRO 101 CO 0.00 -1.89 1.88 -1.00 -0.33 0.00 0.00 177.00 175.66 1k9x h PRO 102 N -0.39 1.13 0.00 5.54 0.13 -1.98 -1.82 132.00 134.61 1k9x h PRO 102 Ca -0.47 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 64.52 1k9x h PRO 102 Cb 1.30 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1k9x h PRO 102 CO 0.49 0.75 -0.32 1.05 -0.23 0.00 0.00 178.00 179.74 1k9x h GLU 103 N 1.17 0.00 -0.25 0.86 9.09 -1.99 -2.41 114.58 121.05 1k9x h GLU 103 Ca 0.43 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.66 1k9x h GLU 103 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 1k9x h GLU 103 CO -0.17 0.32 -0.55 0.35 0.05 0.00 0.00 179.01 179.02 1k9x h PHE 104 N 0.00 1.03 -0.31 2.06 3.57 -1.73 -0.27 116.94 121.29 1k9x h PHE 104 Ca -0.00 -0.38 -0.03 0.00 3.53 0.00 0.00 57.97 61.08 1k9x h PHE 104 Cb 1.03 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 1k9x h PHE 104 CO 0.00 1.20 0.06 0.82 -2.23 0.00 0.00 178.31 178.16 1k9x h ILE 105 N 0.57 1.15 -0.30 1.41 2.04 -1.29 -0.65 117.51 120.44 1k9x h ILE 105 Ca 0.00 -0.56 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 1k9x h ILE 105 Cb 1.16 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1k9x h ILE 105 CO 0.12 0.20 -0.05 -0.09 0.00 0.00 0.00 178.15 178.33 1k9x h ARG 106 N 0.44 0.56 -0.28 2.37 2.43 -1.01 -1.74 114.38 117.15 1k9x h ARG 106 Ca 0.11 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 1k9x h ARG 106 Cb 0.20 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1k9x h ARG 106 CO -0.00 0.74 0.09 1.49 -1.51 0.00 0.00 179.97 180.78 1k9x h GLU 107 N 0.33 0.43 -0.47 0.20 4.81 -0.44 -1.40 114.58 118.04 1k9x h GLU 107 Ca 0.08 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1k9x h GLU 107 Cb 0.52 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1k9x h GLU 107 CO 0.02 0.48 0.15 0.28 -0.73 0.00 0.00 179.01 179.21 1k9x h VAL 108 N 0.29 1.19 -0.41 0.32 2.07 -1.12 0.30 116.25 118.88 1k9x h VAL 108 Ca 0.09 -0.64 -0.12 0.00 0.82 0.00 0.00 66.70 66.84 1k9x h VAL 108 Cb 0.22 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1k9x h VAL 108 CO -0.00 0.24 -0.21 -1.28 0.02 0.00 0.00 177.57 176.33 1k9x h SER 109 N 0.67 0.91 -0.04 0.57 0.87 -1.10 -2.06 113.55 113.37 1k9x h SER 109 Ca 0.16 -0.41 -0.16 0.00 -1.23 0.00 0.00 61.79 60.15 1k9x h SER 109 Cb 0.20 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1k9x h SER 109 CO -0.01 1.12 -0.61 -0.33 -0.53 0.00 0.00 176.83 176.47 1k9x h GLU 110 N 0.70 0.48 -0.40 2.24 5.08 -0.72 -2.75 114.58 119.21 1k9x h GLU 110 Ca 0.09 -0.47 -0.06 0.00 -1.00 0.00 0.00 59.36 57.92 1k9x h GLU 110 Cb 0.78 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1k9x h GLU 110 CO 0.06 1.11 -0.00 1.15 -1.00 0.00 0.00 179.01 180.33 1k9x h THR 111 N 0.03 1.26 -0.60 1.13 2.02 -0.48 -2.92 112.91 113.35 1k9x h THR 111 Ca -0.07 -1.01 -0.09 0.00 0.77 0.00 0.00 66.41 66.02 1k9x h THR 111 Cb 1.29 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 1k9x h THR 111 CO 0.12 0.34 0.03 0.00 0.37 0.00 0.00 175.52 176.38 1k9x h THR 112 N 0.53 1.26 -0.48 3.16 1.03 -1.47 0.18 112.91 117.12 1k9x h THR 112 Ca 0.11 -1.09 0.02 0.00 -0.01 0.00 0.00 66.41 65.44 1k9x h THR 112 Cb 0.48 0.77 -0.03 0.00 -1.07 0.00 0.00 68.15 68.29 1k9x h THR 112 CO 0.02 0.40 0.29 -1.28 -0.01 0.00 0.00 175.52 174.94 1k9x h SER 113 N 0.94 0.47 -0.21 0.00 0.87 -1.44 0.12 113.55 114.31 1k9x h SER 113 Ca 0.18 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.59 1k9x h SER 113 Cb 0.50 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1k9x h SER 113 CO 0.02 0.33 -0.46 -0.07 -0.53 0.00 0.00 176.83 176.12 1k9x h LEU 114 N 0.58 0.76 -0.86 2.23 4.07 -1.37 -2.71 115.31 118.01 1k9x h LEU 114 Ca 0.19 -0.56 0.08 0.00 0.08 0.00 0.00 57.88 57.67 1k9x h LEU 114 Cb 0.01 -0.22 -0.07 0.00 1.08 0.00 0.00 40.66 41.46 1k9x h LEU 114 CO -0.09 1.18 0.52 0.00 -1.08 0.00 0.00 178.44 178.98 1k9x h ALA 115 N 0.60 1.20 -0.14 1.53 0.00 -0.17 0.64 119.26 122.92 1k9x h ALA 115 Ca 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1k9x h ALA 115 Cb 1.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1k9x h ALA 115 CO 0.10 0.21 -0.59 1.79 0.00 0.00 0.00 179.25 180.76 1k9x h THR 116 N 0.90 1.34 -0.32 0.00 1.35 -0.78 0.68 112.91 116.08 1k9x h THR 116 Ca 0.39 -1.89 -0.04 0.00 -0.55 0.00 0.00 66.41 64.33 1k9x h THR 116 Cb 0.27 1.87 -0.02 0.00 -1.73 0.00 0.00 68.15 68.54 1k9x h THR 116 CO -0.21 0.58 0.02 0.11 -0.25 0.00 0.00 175.52 175.77 1k9x h LYS 117 N 0.35 0.48 0.00 4.72 6.56 -0.93 -0.43 116.57 127.32 1k9x h LYS 117 Ca -0.00 -0.09 -0.13 0.00 -1.06 0.00 0.00 60.65 59.37 1k9x h LYS 117 Cb 1.13 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 32.70 1k9x h LYS 117 CO 0.11 0.49 -0.61 0.00 -2.06 0.00 0.00 179.45 177.38 1k9x h ALA 118 N 1.56 0.68 -0.10 3.86 0.00 -0.46 -2.51 119.26 122.29 1k9x h ALA 118 Ca 0.11 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1k9x h ALA 118 Cb 0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1k9x h ALA 118 CO 0.01 0.76 -0.04 2.35 0.00 0.00 0.00 179.25 182.32 1k9x h TRP 119 N 0.00 0.23 -0.72 0.00 7.01 0.23 -0.42 115.95 122.28 1k9x h TRP 119 Ca -0.01 -0.06 0.01 0.00 2.11 0.00 0.00 58.89 60.95 1k9x h TRP 119 Cb 1.36 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 28.33 1k9x h TRP 119 CO 0.00 0.55 0.48 1.49 -2.79 0.00 0.00 178.44 178.17 1k9x h GLU 120 N -0.16 0.93 0.06 2.65 4.57 -1.11 0.09 114.58 121.61 1k9x h GLU 120 Ca 0.02 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1k9x h GLU 120 Cb 0.49 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1k9x h GLU 120 CO 0.01 0.62 -0.03 1.49 -1.18 0.00 0.00 179.01 179.92 1k9x h GLU 121 N 0.96 -0.07 -0.85 1.92 4.81 -1.26 -1.27 114.58 118.81 1k9x h GLU 121 Ca 0.27 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.58 1k9x h GLU 121 Cb -0.09 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.25 1k9x h GLU 121 CO -0.06 0.24 0.55 0.00 -0.73 0.00 0.00 179.01 179.02 1k9x h ALA 122 N 0.52 1.61 -0.21 2.92 0.00 -0.60 -1.18 119.26 122.32 1k9x h ALA 122 Ca -0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1k9x h ALA 122 Cb 0.35 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1k9x h ALA 122 CO 0.01 0.24 -0.42 -0.22 0.00 0.00 0.00 179.25 178.86 1k9x h LYS 123 N 0.90 0.65 0.00 0.00 3.64 -0.88 0.31 116.57 121.19 1k9x h LYS 123 Ca 0.38 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1k9x h LYS 123 Cb 0.29 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1k9x h LYS 123 CO -0.14 1.04 0.00 0.00 -2.27 0.00 0.00 179.45 178.08 1k9x h ALA 124 N 0.61 1.00 -0.12 5.00 0.00 -0.54 -2.28 119.26 122.92 1k9x h ALA 124 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1k9x h ALA 124 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1k9x h ALA 124 CO 0.09 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.97 1k9x n LYS 125 N -2.76 1.61 -4.19 0.00 5.02 -0.51 -4.97 118.16 112.36 1k9x n LYS 125 Ca 0.00 -1.43 -0.29 0.00 -2.02 0.00 0.00 58.31 54.57 1k9x n LYS 125 Cb 0.22 -1.15 -0.07 0.00 -0.02 0.00 0.00 35.03 34.00 1k9x n LYS 125 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1k9x n ASP 126 N 0.25 0.41 -3.57 4.39 -0.08 0.40 -4.90 116.55 113.44 1k9x n ASP 126 Ca 0.06 -1.19 -0.29 0.00 -1.51 0.00 0.00 54.79 51.86 1k9x n ASP 126 Cb 0.28 -2.08 -0.15 0.00 2.34 0.00 0.00 41.12 41.50 1k9x n ASP 126 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1k9x s ASP 127 N -4.36 3.52 0.45 1.67 2.15 0.83 -4.85 116.67 116.07 1k9x s ASP 127 Ca 0.01 -1.28 0.11 0.00 0.43 0.00 0.00 52.55 51.82 1k9x s ASP 127 Cb -0.01 -0.41 1.00 0.00 -0.30 0.00 0.00 42.92 43.21 1k9x s ASP 127 CO 0.96 -0.43 2.06 0.15 -0.17 0.00 0.00 175.17 177.74 1k9x h PHE 128 N 8.37 0.25 -0.17 -5.34 3.57 -1.91 -2.91 116.94 118.80 1k9x h PHE 128 Ca -0.19 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.36 1k9x h PHE 128 Cb 1.02 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1k9x h PHE 128 CO 0.29 0.21 0.22 0.66 -2.23 0.00 0.00 178.31 177.46 1k9x h SER 129 N 0.26 0.00 -0.35 0.41 4.64 -1.95 0.23 113.55 116.79 1k9x h SER 129 Ca 0.07 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.27 1k9x h SER 129 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1k9x h SER 129 CO -0.01 0.00 -0.22 0.11 -0.87 0.00 0.00 176.83 175.85 1k9x h LYS 130 N 0.00 0.77 0.00 4.77 1.79 -1.85 -3.27 116.57 118.78 1k9x h LYS 130 Ca 0.08 -0.35 -0.22 0.00 -2.18 0.00 0.00 60.65 57.98 1k9x h LYS 130 Cb 0.52 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.12 1k9x h LYS 130 CO -0.00 0.98 -1.29 0.35 -1.08 0.00 0.00 179.45 178.41 1k9x h PHE 131 N 0.55 0.00 -0.66 -1.35 3.57 -1.32 -3.41 116.94 114.32 1k9x h PHE 131 Ca 0.07 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.63 1k9x h PHE 131 Cb 0.77 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.42 1k9x h PHE 131 CO 0.06 0.84 -0.47 1.49 -2.23 0.00 0.00 178.31 178.00 1k9x h GLU 132 N 0.00 -0.10 -0.79 1.11 4.81 -0.66 -0.14 114.58 118.81 1k9x h GLU 132 Ca -0.14 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.24 1k9x h GLU 132 Cb 1.77 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 31.12 1k9x h GLU 132 CO 0.08 -0.07 0.53 -1.00 -0.73 0.00 0.00 179.01 177.82 1k9x h PRO 133 N -0.10 0.46 0.00 0.92 0.13 -1.79 0.29 132.00 131.92 1k9x h PRO 133 Ca 0.11 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 65.09 1k9x h PRO 133 Cb 0.38 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.39 1k9x h PRO 133 CO -0.68 0.31 -0.58 -1.49 -0.23 0.00 0.00 178.00 175.33 1k9x h TRP 134 N 0.48 0.00 -0.29 1.56 4.06 -1.34 -3.02 115.95 117.40 1k9x h TRP 134 Ca 0.39 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 61.25 1k9x h TRP 134 Cb 0.84 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.99 1k9x h TRP 134 CO -0.00 0.58 -0.17 1.25 -3.56 0.00 0.00 178.44 176.54 1k9x h LEU 135 N 0.00 0.65 -1.44 -4.49 6.46 0.47 -2.05 115.31 114.91 1k9x h LEU 135 Ca -0.01 -0.42 0.06 0.00 -0.12 0.00 0.00 57.88 57.39 1k9x h LEU 135 Cb 1.10 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.81 1k9x h LEU 135 CO 0.08 0.94 0.44 0.44 -0.62 0.00 0.00 178.44 179.71 1k9x h ASP 136 N 0.38 0.60 0.82 1.25 3.32 -1.38 0.19 116.42 121.60 1k9x h ASP 136 Ca 0.06 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.01 1k9x h ASP 136 Cb 0.70 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1k9x h ASP 136 CO 0.05 0.39 -0.49 0.11 -1.72 0.00 0.00 179.24 177.57 1k9x h LYS 137 N 0.68 0.00 -0.02 3.56 1.57 -1.38 -2.10 116.57 118.88 1k9x h LYS 137 Ca 0.29 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.91 1k9x h LYS 137 Cb 0.26 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.58 1k9x h LYS 137 CO -0.09 0.49 -0.62 0.82 -0.57 0.00 0.00 179.45 179.49 1k9x h ILE 138 N 0.00 1.41 -0.10 1.86 2.04 -0.34 -2.35 117.51 120.02 1k9x h ILE 138 Ca -0.00 -2.05 0.04 0.00 1.00 0.00 0.00 64.86 63.85 1k9x h ILE 138 Cb 1.04 2.51 -0.05 0.00 -0.74 0.00 0.00 36.82 39.58 1k9x h ILE 138 CO 0.06 0.60 -0.20 0.40 0.00 0.00 0.00 178.15 179.02 1k9x h ILE 139 N -0.03 0.50 -0.84 -0.67 2.04 -0.61 0.31 117.51 118.21 1k9x h ILE 139 Ca -0.07 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.91 1k9x h ILE 139 Cb 1.31 0.50 -0.08 0.00 -0.74 0.00 0.00 36.82 37.81 1k9x h ILE 139 CO 0.12 0.00 0.47 -1.28 0.00 0.00 0.00 178.15 177.46 1k9x h SER 140 N -0.27 0.62 -0.34 1.72 0.87 -1.42 -0.21 113.55 114.52 1k9x h SER 140 Ca 0.09 0.07 -0.12 0.00 -1.23 0.00 0.00 61.79 60.60 1k9x h SER 140 Cb 0.40 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1k9x h SER 140 CO -0.26 0.32 -0.22 -0.07 -0.53 0.00 0.00 176.83 176.06 1k9x h LEU 141 N 0.73 0.85 -1.34 2.23 3.38 -0.70 -2.33 115.31 118.12 1k9x h LEU 141 Ca 0.43 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1k9x h LEU 141 Cb 0.50 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1k9x h LEU 141 CO -0.30 1.05 0.14 0.00 0.09 0.00 0.00 178.44 179.42 1k9x h ALA 142 N 1.01 1.48 -0.02 1.53 0.00 0.13 0.18 119.26 123.58 1k9x h ALA 142 Ca 0.10 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 1k9x h ALA 142 Cb 0.76 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1k9x h ALA 142 CO 0.06 0.39 -0.91 0.87 0.00 0.00 0.00 179.25 179.66 1k9x h LYS 143 N 0.58 0.47 -0.63 0.00 1.57 -1.06 -1.63 116.57 115.88 1k9x h LYS 143 Ca 0.14 -0.48 -0.09 0.00 -1.87 0.00 0.00 60.65 58.36 1k9x h LYS 143 Cb 0.16 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1k9x h LYS 143 CO -0.01 1.12 0.04 0.00 -0.57 0.00 0.00 179.45 180.03 1k9x h ARG 144 N 0.27 1.08 -0.36 3.15 2.47 -0.97 -2.49 114.38 117.54 1k9x h ARG 144 Ca -0.08 -0.32 -0.00 0.00 -1.26 0.00 0.00 59.98 58.32 1k9x h ARG 144 Cb 1.54 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.74 1k9x h ARG 144 CO 0.16 1.02 0.21 0.00 0.56 0.00 0.00 179.97 181.93 1k9x h ALA 145 N 1.04 0.45 -0.83 0.04 0.00 -0.52 -1.56 119.26 117.88 1k9x h ALA 145 Ca 0.18 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.14 1k9x h ALA 145 Cb 0.51 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1k9x h ALA 145 CO 0.02 -0.05 0.47 0.00 0.00 0.00 0.00 179.25 179.69 1k9x h ALA 146 N 1.09 1.19 -0.50 0.00 0.00 -1.03 -1.36 119.26 118.65 1k9x h ALA 146 Ca 0.13 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1k9x h ALA 146 Cb 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1k9x h ALA 146 CO -0.02 0.08 0.17 0.93 0.00 0.00 0.00 179.25 180.40 1k9x h GLU 147 N 0.77 0.77 -0.08 0.00 4.39 -0.98 0.16 114.58 119.61 1k9x h GLU 147 Ca 0.41 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1k9x h GLU 147 Cb 0.40 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1k9x h GLU 147 CO -0.26 0.71 0.05 1.88 -1.16 0.00 0.00 179.01 180.22 1k9x h TYR 148 N 0.67 0.09 0.00 4.33 0.99 -0.34 -1.86 116.97 120.85 1k9x h TYR 148 Ca 0.16 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.83 1k9x h TYR 148 Cb 0.25 -0.03 -0.01 0.00 1.00 0.00 0.00 36.73 37.94 1k9x h TYR 148 CO 0.01 0.05 -0.33 -0.07 -0.00 0.00 0.00 178.16 177.83 1k9x h LEU 149 N 0.10 0.00 -0.54 3.88 -0.00 -1.25 -3.47 115.31 114.03 1k9x h LEU 149 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1k9x h LEU 149 Cb -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 1k9x h LEU 149 CO -0.01 0.33 -0.44 0.61 -0.00 0.00 0.00 178.44 178.93 1k9x n GLY 150 N 0.22 -4.01 0.04 0.83 0.00 0.54 -5.06 105.19 97.74 1k9x n GLY 150 Ca -0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 46.02 45.22 1k9x n GLY 150 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1k9x n TYR 151 N -0.33 -0.64 -2.71 1.61 0.18 -1.25 -4.72 117.16 109.30 1k9x n TYR 151 Ca 0.00 -0.02 -0.07 0.00 1.88 0.00 0.00 57.90 59.68 1k9x n TYR 151 Cb 0.00 -0.00 0.10 0.00 -0.38 0.00 0.00 39.34 39.05 1k9x n TYR 151 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87 1k9x n GLU 152 N -0.23 0.95 0.00 -3.48 2.13 -1.26 -4.94 120.64 113.81 1k9x n GLU 152 Ca -0.00 -1.71 0.00 0.00 0.66 0.00 0.00 57.16 56.11 1k9x n GLU 152 Cb 0.01 -0.55 0.00 0.00 0.27 0.00 0.00 31.44 31.17 1k9x n GLU 152 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1k9x n GLU 153 N -0.01 0.00 -3.63 5.31 2.13 -1.26 -5.14 120.64 118.04 1k9x n GLU 153 Ca -0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 1k9x n GLU 153 Cb 0.75 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.39 1k9x n GLU 153 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1k9x s GLU 154 N 0.00 0.74 0.32 5.31 2.12 -1.26 -5.06 118.70 120.88 1k9x s GLU 154 Ca 0.00 0.95 0.09 0.00 0.36 0.00 0.00 54.97 56.37 1k9x s GLU 154 Cb 0.00 0.33 0.91 0.00 0.26 0.00 0.00 34.13 35.63 1k9x s GLU 154 CO 0.00 -0.10 1.70 -1.35 -0.54 0.00 0.00 175.26 174.97 1k9x h PRO 155 N 5.18 0.44 0.00 4.30 0.11 -1.93 0.12 132.00 140.23 1k9x h PRO 155 Ca -0.29 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1k9x h PRO 155 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1k9x h PRO 155 CO 0.08 0.29 0.00 -0.92 -0.21 0.00 0.00 178.00 177.24 1k9x h TYR 156 N 0.46 0.00 -0.43 0.65 -0.00 -1.90 -2.71 116.97 113.03 1k9x h TYR 156 Ca 0.65 0.00 -0.09 0.00 -0.00 0.00 0.00 58.73 59.29 1k9x h TYR 156 Cb 1.32 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 38.03 1k9x h TYR 156 CO -0.04 0.00 -0.09 -0.44 -0.00 0.00 0.00 178.16 177.58 1k9x h ASP 157 N 0.00 0.73 -0.96 -2.11 3.32 -1.11 -2.20 116.42 114.10 1k9x h ASP 157 Ca 0.00 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 1k9x h ASP 157 Cb 0.29 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 1k9x h ASP 157 CO 0.00 0.86 0.58 0.00 -1.72 0.00 0.00 179.24 178.96 1k9x h ALA 158 N 1.21 1.22 0.02 3.45 0.00 -1.59 -0.39 119.26 123.18 1k9x h ALA 158 Ca 0.12 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 1k9x h ALA 158 Cb 0.55 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1k9x h ALA 158 CO 0.03 0.67 -1.13 -0.07 0.00 0.00 0.00 179.25 178.75 1k9x h LEU 159 N 1.32 0.06 -0.49 0.00 3.38 -1.66 -2.71 115.31 115.21 1k9x h LEU 159 Ca 0.34 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 58.13 1k9x h LEU 159 Cb -0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1k9x h LEU 159 CO -0.07 1.05 -0.17 0.25 0.09 0.00 0.00 178.44 179.60 1k9x h LEU 160 N 0.01 1.00 -1.17 1.67 5.85 -1.22 -2.59 115.31 118.85 1k9x h LEU 160 Ca -0.07 -0.38 -0.07 0.00 0.84 0.00 0.00 57.88 58.21 1k9x h LEU 160 Cb 1.83 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 1k9x h LEU 160 CO 0.13 1.15 -0.15 -0.78 -0.34 0.00 0.00 178.44 178.46 1k9x h ASP 161 N 0.84 0.38 -0.39 1.25 3.58 -1.09 -1.96 116.42 119.04 1k9x h ASP 161 Ca 0.12 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 1k9x h ASP 161 Cb 0.74 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 1k9x h ASP 161 CO 0.06 0.56 0.18 0.25 -2.88 0.00 0.00 179.24 177.41 1k9x h LEU 162 N 0.37 0.56 0.00 2.28 6.46 -1.12 -2.83 115.31 121.02 1k9x h LEU 162 Ca 0.07 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1k9x h LEU 162 Cb 0.48 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.27 1k9x h LEU 162 CO 0.03 0.50 -1.50 -1.22 -0.62 0.00 0.00 178.44 175.63 1k9x n TYR 163 N -4.37 0.09 -3.38 1.25 4.02 -1.10 -4.76 117.16 108.90 1k9x n TYR 163 Ca 0.03 0.03 -0.18 0.00 -0.01 0.00 0.00 57.90 57.77 1k9x n TYR 163 Cb 0.14 -0.37 -0.09 0.00 -0.02 0.00 0.00 39.34 39.01 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 -3.31 0.51 0.08 -0.72 2.56 -0.75 -4.29 118.70 112.79 1k9x s GLU 164 Ca -0.01 -0.62 -0.37 0.00 0.00 0.00 0.00 54.97 53.97 1k9x s GLU 164 Cb 0.14 -0.73 -0.17 0.00 2.00 0.00 0.00 34.13 35.37 1k9x s GLU 164 CO 0.87 -1.13 1.28 -1.91 -0.56 0.00 0.00 175.26 173.81 1k9x n GLU 165 N 4.63 0.99 0.00 4.30 2.13 -1.08 -1.21 120.64 130.40 1k9x n GLU 165 Ca 0.06 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.24 1k9x n GLU 165 Cb 0.45 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 30.20 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 2.33 2.19 3.75 8.31 0.00 -1.26 -4.50 105.19 116.00 1k9x n GLY 166 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 4.51 0.17 0.99 2.96 -0.35 -5.01 118.68 121.95 1k9x s LEU 167 Ca 0.00 2.22 0.08 0.00 -0.22 0.00 0.00 54.13 56.21 1k9x s LEU 167 Cb 0.00 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 1k9x s LEU 167 CO 0.00 -0.23 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.49 1k9x s ARG 168 N -0.85 1.29 0.45 1.98 1.81 -1.26 -3.43 118.95 118.94 1k9x s ARG 168 Ca 0.48 -1.45 0.18 0.00 -1.72 0.00 0.00 55.73 53.22 1k9x s ARG 168 Cb -0.32 -1.30 1.13 0.00 -0.45 0.00 0.00 34.95 34.01 1k9x s ARG 168 CO 0.38 0.26 1.95 1.15 -0.68 0.00 0.00 175.30 178.36 1k9x h THR 169 N 3.11 0.79 -0.47 0.02 2.02 -1.89 -1.33 112.91 115.18 1k9x h THR 169 Ca -0.41 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 66.68 1k9x h THR 169 Cb 1.21 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1k9x h THR 169 CO 0.53 0.06 0.28 0.03 0.37 0.00 0.00 175.52 176.79 1k9x h ARG 170 N 0.31 0.55 -0.23 6.66 3.08 -1.99 0.22 114.38 122.99 1k9x h ARG 170 Ca 0.33 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.38 1k9x h ARG 170 Cb 0.85 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 1k9x h ARG 170 CO -0.08 0.36 0.05 -0.44 -1.07 0.00 0.00 179.97 178.79 1k9x h ASP 171 N 0.57 0.03 -0.54 7.04 3.32 -1.65 -0.74 116.42 124.45 1k9x h ASP 171 Ca 0.18 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 1k9x h ASP 171 Cb 0.00 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1k9x h ASP 171 CO -0.08 0.05 0.01 0.58 -1.72 0.00 0.00 179.24 178.09 1k9x h VAL 172 N 0.15 1.26 -0.10 -1.35 2.07 -1.42 -1.68 116.25 115.18 1k9x h VAL 172 Ca 0.10 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1k9x h VAL 172 Cb 0.09 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1k9x h VAL 172 CO -0.13 0.39 0.05 -0.08 0.02 0.00 0.00 177.57 177.82 1k9x h GLU 173 N 0.81 0.11 0.01 1.57 4.81 -0.69 -2.06 114.58 119.14 1k9x h GLU 173 Ca 0.15 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1k9x h GLU 173 Cb 0.51 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1k9x h GLU 173 CO 0.02 0.07 -0.00 -0.22 -0.73 0.00 0.00 179.01 178.15 1k9x h LYS 174 N 0.11 -0.01 -0.68 1.92 3.64 -1.02 0.89 116.57 121.43 1k9x h LYS 174 Ca 0.04 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1k9x h LYS 174 Cb -0.00 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1k9x h LYS 174 CO -0.02 0.03 0.42 0.00 -2.27 0.00 0.00 179.45 177.60 1k9x h MET 175 N -0.05 0.79 0.00 1.90 -0.00 -1.22 -0.98 114.93 115.38 1k9x h MET 175 Ca -0.00 -0.05 -0.11 0.00 -0.00 0.00 0.00 59.70 59.54 1k9x h MET 175 Cb 0.04 -0.18 -0.02 0.00 -0.00 0.00 0.00 31.60 31.45 1k9x h MET 175 CO 0.00 0.52 -0.54 0.74 -0.00 0.00 0.00 176.91 177.63 1k9x h PHE 176 N 0.82 0.00 -0.76 -0.10 0.05 -1.24 -2.28 116.94 113.42 1k9x h PHE 176 Ca 0.27 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 62.05 1k9x h PHE 176 Cb 0.03 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 37.95 1k9x h PHE 176 CO -0.05 0.54 0.41 1.49 -0.18 0.00 0.00 178.31 180.52 1k9x h GLU 177 N 0.00 1.07 -0.63 1.51 4.81 0.12 -0.61 114.58 120.85 1k9x h GLU 177 Ca -0.01 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 59.01 1k9x h GLU 177 Cb 1.03 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 1k9x h GLU 177 CO 0.07 0.80 0.05 0.28 -0.73 0.00 0.00 179.01 179.48 1k9x h VAL 178 N 1.05 1.26 0.00 0.32 2.07 -0.87 -2.80 116.25 117.29 1k9x h VAL 178 Ca 0.27 -1.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 1k9x h VAL 178 Cb 0.05 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1k9x h VAL 178 CO -0.04 0.40 -0.32 -0.07 0.02 0.00 0.00 177.57 177.56 1k9x h LEU 179 N 0.98 0.00 -0.24 2.57 4.07 -0.81 -2.19 115.31 119.70 1k9x h LEU 179 Ca 0.18 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.95 1k9x h LEU 179 Cb 0.50 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 1k9x h LEU 179 CO 0.02 0.32 -0.90 -0.33 -1.08 0.00 0.00 178.44 176.46 1k9x h GLU 180 N 0.00 0.11 0.00 1.13 5.08 -0.93 -1.21 114.58 118.76 1k9x h GLU 180 Ca -0.00 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 1k9x h GLU 180 Cb 0.66 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1k9x h GLU 180 CO 0.04 0.94 -0.80 0.87 -1.00 0.00 0.00 179.01 179.06 1k9x h LYS 181 N 0.06 0.00 0.00 2.33 1.79 -1.32 -3.38 116.57 116.05 1k9x h LYS 181 Ca -0.04 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1k9x h LYS 181 Cb 1.56 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.21 1k9x h LYS 181 CO 0.13 0.25 -1.07 1.63 -1.08 0.00 0.00 179.45 179.31 1k9x n LYS 182 N -2.99 0.03 -0.05 3.15 5.02 -0.84 -4.68 118.16 117.80 1k9x n LYS 182 Ca -0.02 0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 56.15 1k9x n LYS 182 Cb 0.70 -0.97 -0.07 0.00 -0.02 0.00 0.00 35.03 34.66 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 -0.01 0.32 -0.07 -0.35 6.46 -1.39 -2.69 115.31 117.58 1k9x h LEU 183 Ca -0.03 -0.47 0.02 0.00 -0.12 0.00 0.00 57.88 57.28 1k9x h LEU 183 Cb 1.04 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.83 1k9x h LEU 183 CO -0.01 0.73 -0.42 0.50 -0.62 0.00 0.00 178.44 178.62 1k9x h LYS 184 N -0.08 -0.46 0.00 1.25 3.11 -1.60 1.32 116.57 120.11 1k9x h LYS 184 Ca 0.02 0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.87 1k9x h LYS 184 Cb 0.64 0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 31.97 1k9x h LYS 184 CO 0.03 -0.30 -0.09 -1.00 -2.81 0.00 0.00 179.45 175.28 1k9x h PRO 185 N -0.47 0.00 -0.52 1.90 0.13 -1.82 0.95 132.00 132.17 1k9x h PRO 185 Ca 0.02 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.08 1k9x h PRO 185 Cb 0.54 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 1k9x h PRO 185 CO -0.32 0.09 0.05 1.25 -0.23 0.00 0.00 178.00 178.84 1k9x h LEU 186 N 0.00 0.85 -0.49 1.56 6.46 -0.71 -1.85 115.31 121.12 1k9x h LEU 186 Ca -0.00 -0.28 -0.07 0.00 -0.12 0.00 0.00 57.88 57.42 1k9x h LEU 186 Cb 0.17 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 1k9x h LEU 186 CO 0.01 0.91 0.05 0.25 -0.62 0.00 0.00 178.44 179.04 1k9x h LEU 187 N 0.75 0.81 -1.18 2.25 5.85 0.36 -2.63 115.31 121.52 1k9x h LEU 187 Ca 0.15 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 1k9x h LEU 187 Cb 0.44 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1k9x h LEU 187 CO 0.02 0.89 -0.06 0.44 -0.34 0.00 0.00 178.44 179.38 1k9x h ASP 188 N 0.70 0.47 0.53 1.25 3.32 -0.70 -2.56 116.42 119.44 1k9x h ASP 188 Ca 0.15 -0.10 -0.16 0.00 0.02 0.00 0.00 57.03 56.93 1k9x h ASP 188 Cb 0.44 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1k9x h ASP 188 CO 0.02 0.58 -0.71 0.50 -1.72 0.00 0.00 179.24 177.91 1k9x h LYS 189 N 0.47 0.15 -0.24 3.56 3.64 -1.22 -2.98 116.57 119.94 1k9x h LYS 189 Ca 0.09 -0.13 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 1k9x h LYS 189 Cb 0.40 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1k9x h LYS 189 CO 0.02 0.80 -0.36 0.82 -2.27 0.00 0.00 179.45 178.46 1k9x h ILE 190 N 0.10 1.29 0.34 2.00 2.04 -1.20 0.21 117.51 122.28 1k9x h ILE 190 Ca -0.02 -1.48 -0.02 0.00 1.00 0.00 0.00 64.86 64.34 1k9x h ILE 190 Cb 1.26 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1k9x h ILE 190 CO 0.10 0.47 -0.16 -0.07 0.00 0.00 0.00 178.15 178.49 1k9x h LEU 191 N 0.45 -0.38 -0.22 1.44 3.38 -1.37 -2.92 115.31 115.68 1k9x h LEU 191 Ca 0.05 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1k9x h LEU 191 Cb 0.83 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1k9x h LEU 191 CO 0.07 -0.20 -0.39 1.05 0.09 0.00 0.00 178.44 179.06 1k9x h GLU 192 N -0.55 0.66 0.00 1.13 4.11 -1.51 -3.32 114.58 115.10 1k9x h GLU 192 Ca -0.05 -0.41 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1k9x h GLU 192 Cb 0.41 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1k9x h GLU 192 CO 0.08 1.02 0.00 -1.91 0.07 0.00 0.00 179.01 178.27 1k9x n GLU 193 N -4.23 0.00 0.00 1.06 4.07 0.72 -4.88 120.64 117.38 1k9x n GLU 193 Ca -0.05 0.76 0.00 0.00 -0.06 0.00 0.00 57.16 57.81 1k9x n GLU 193 Cb 0.53 -1.19 0.00 0.00 -0.06 0.00 0.00 31.44 30.72 1k9x n GLU 193 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1k9x n GLY 194 N -0.98 2.53 0.04 8.31 0.00 -1.11 -5.00 105.19 108.99 1k9x n GLY 194 Ca 0.00 -0.89 -0.00 0.00 0.00 0.00 0.00 46.02 45.13 1k9x n GLY 194 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k9x n LYS 195 N 0.00 -0.03 -4.61 1.61 4.76 -1.26 -3.89 118.16 114.74 1k9x n LYS 195 Ca 0.00 0.18 -0.34 0.00 -2.87 0.00 0.00 58.31 55.28 1k9x n LYS 195 Cb 0.00 -0.27 -0.12 0.00 -1.84 0.00 0.00 35.03 32.81 1k9x n LYS 195 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1k9x s VAL 196 N -5.11 3.65 0.78 -0.18 -7.23 -1.26 -5.08 120.40 105.97 1k9x s VAL 196 Ca -0.02 -0.48 -0.11 0.00 -1.81 0.00 0.00 61.98 59.56 1k9x s VAL 196 Cb 0.02 -2.52 0.06 0.00 0.56 0.00 0.00 36.38 34.51 1k9x s VAL 196 CO 0.08 0.57 1.10 -2.16 -0.31 0.00 0.00 175.10 174.38 1k9x s PRO 197 N -0.48 2.22 0.00 4.82 0.04 -1.25 -4.72 135.00 135.64 1k9x s PRO 197 Ca 0.07 0.63 0.24 0.00 0.04 0.00 0.00 61.00 61.98 1k9x s PRO 197 Cb -0.12 -1.93 0.38 0.00 0.04 0.00 0.00 34.50 32.86 1k9x s PRO 197 CO 0.02 -1.52 1.32 0.54 0.04 0.00 0.00 177.00 177.40 1k9x n ARG 198 N -3.37 0.01 -3.60 4.56 1.74 -1.25 -1.87 116.66 112.88 1k9x n ARG 198 Ca 0.07 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.07 1k9x n ARG 198 Cb 0.56 -1.51 -0.02 0.00 -1.02 0.00 0.00 32.46 30.48 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 -3.01 1.21 -0.09 5.56 -1.05 -1.26 -4.70 118.70 115.36 1k9x s GLU 199 Ca 0.10 -0.56 -0.11 0.00 -0.15 0.00 0.00 54.97 54.26 1k9x s GLU 199 Cb 0.17 0.49 0.03 0.00 -0.44 0.00 0.00 34.13 34.37 1k9x s GLU 199 CO 0.73 -0.54 0.28 -1.58 0.95 0.00 0.00 175.26 175.10 1k9x s HIS 200 N -3.48 -0.28 0.55 4.83 2.46 -1.26 -5.01 115.29 113.10 1k9x s HIS 200 Ca 0.07 0.65 0.38 0.00 0.47 0.00 0.00 55.06 56.63 1k9x s HIS 200 Cb -0.02 0.10 2.07 0.00 -0.13 0.00 0.00 32.58 34.59 1k9x s HIS 200 CO -0.05 -0.20 2.27 -1.00 -2.47 0.00 0.00 174.74 173.30 1k9x h PRO 201 N 5.34 0.00 0.00 2.88 0.13 -2.02 -0.22 132.00 138.11 1k9x h PRO 201 Ca -0.27 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1k9x h PRO 201 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1k9x h PRO 201 CO 0.34 0.02 -0.00 -0.07 -0.23 0.00 0.00 178.00 178.05 1k9x h LEU 202 N 0.00 0.00 -1.62 1.56 3.38 -1.96 0.38 115.31 117.05 1k9x h LEU 202 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1k9x h LEU 202 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1k9x h LEU 202 CO 0.00 0.00 0.17 -0.33 0.09 0.00 0.00 178.44 178.38 1k9x h GLU 203 N 0.00 0.43 0.00 1.13 5.08 -1.44 -2.87 114.58 116.91 1k9x h GLU 203 Ca -0.00 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1k9x h GLU 203 Cb 0.20 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1k9x h GLU 203 CO 0.00 0.32 -1.13 0.87 -1.00 0.00 0.00 179.01 178.07 1k9x h LYS 204 N 0.44 0.00 -6.49 2.33 1.57 -1.09 -2.89 116.57 110.44 1k9x h LYS 204 Ca 0.11 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.29 1k9x h LYS 204 Cb 0.01 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.41 1k9x h LYS 204 CO -0.02 0.25 0.43 0.39 -0.57 0.00 0.00 179.45 179.94 1k9x n GLU 205 N -2.91 1.64 -3.64 3.15 -0.58 -1.08 -4.68 120.64 112.54 1k9x n GLU 205 Ca -0.05 0.58 -0.26 0.00 -0.42 0.00 0.00 57.16 57.01 1k9x n GLU 205 Cb 0.75 -2.15 -0.03 0.00 -0.57 0.00 0.00 31.44 29.44 1k9x n GLU 205 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1k9x s LYS 206 N -0.55 3.51 0.06 3.49 3.01 -1.26 -2.69 119.74 125.30 1k9x s LYS 206 Ca 0.69 -0.36 -0.10 0.00 -1.01 0.00 0.00 55.97 55.18 1k9x s LYS 206 Cb -0.73 -2.80 0.01 0.00 -1.01 0.00 0.00 37.83 33.30 1k9x s LYS 206 CO 0.52 0.34 0.21 1.52 0.51 0.00 0.00 175.35 178.45 1k9x s TYR 207 N -1.99 0.05 -0.02 3.18 -0.85 -0.98 -4.95 117.35 111.79 1k9x s TYR 207 Ca 0.39 -0.32 -0.17 0.00 -0.52 0.00 0.00 57.07 56.45 1k9x s TYR 207 Cb -0.10 -0.01 -0.05 0.00 0.38 0.00 0.00 41.96 42.17 1k9x s TYR 207 CO 0.30 -0.48 0.46 -1.21 -1.52 0.00 0.00 175.55 173.11 1k9x s GLU 208 N -2.94 4.12 0.12 -3.49 0.41 -1.26 -4.62 118.70 111.03 1k9x s GLU 208 Ca -0.02 0.49 -0.20 0.00 -0.41 0.00 0.00 54.97 54.83 1k9x s GLU 208 Cb 0.01 -3.30 -0.03 0.00 -1.78 0.00 0.00 34.13 29.03 1k9x s GLU 208 CO -0.06 0.50 1.06 -2.13 -0.49 0.00 0.00 175.26 174.15 1k9x n ARG 209 N 2.42 -0.29 -0.32 1.61 3.00 -1.26 -0.09 116.66 121.73 1k9x n ARG 209 Ca -0.11 1.04 0.15 0.00 -0.00 0.00 0.00 57.85 58.93 1k9x n ARG 209 Cb 0.52 -1.54 0.34 0.00 0.00 0.00 0.00 32.46 31.78 1k9x n ARG 209 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1k9x h GLU 210 N 0.00 0.43 -0.11 -0.14 3.07 -1.99 -1.46 114.58 114.38 1k9x h GLU 210 Ca 0.12 -0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.98 1k9x h GLU 210 Cb 0.30 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 1k9x h GLU 210 CO -0.65 0.28 -0.00 -1.49 -1.40 0.00 0.00 179.01 175.75 1k9x h TRP 211 N 0.44 -0.01 0.00 4.33 6.55 -0.81 -2.72 115.95 123.73 1k9x h TRP 211 Ca 0.59 0.01 -0.05 0.00 0.95 0.00 0.00 58.89 60.39 1k9x h TRP 211 Cb 1.14 0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 29.45 1k9x h TRP 211 CO -0.10 -0.01 -0.24 0.52 -1.05 0.00 0.00 178.44 177.56 1k9x h MET 212 N 0.04 0.00 0.00 0.49 2.86 -1.25 -3.03 114.93 114.04 1k9x h MET 212 Ca 0.05 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 1k9x h MET 212 Cb 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1k9x h MET 212 CO -0.09 0.24 -0.37 1.05 1.06 0.00 0.00 176.91 178.80 1k9x h GLU 213 N 0.00 0.00 -0.23 1.72 4.11 -1.21 -0.73 114.58 118.24 1k9x h GLU 213 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.33 1k9x h GLU 213 Cb 1.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1k9x h GLU 213 CO 0.03 0.37 -0.22 0.00 0.07 0.00 0.00 179.01 179.26 1k9x h ARG 214 N 0.00 0.56 -0.15 1.06 3.08 -1.46 -0.61 114.38 116.86 1k9x h ARG 214 Ca -0.00 -0.29 0.03 0.00 0.07 0.00 0.00 59.98 59.79 1k9x h ARG 214 Cb 1.14 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.17 1k9x h ARG 214 CO 0.05 0.88 -0.04 0.28 -1.07 0.00 0.00 179.97 180.07 1k9x h VAL 215 N 0.25 0.85 -0.50 2.04 2.07 -1.38 0.37 116.25 119.95 1k9x h VAL 215 Ca 0.04 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1k9x h VAL 215 Cb 0.77 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1k9x h VAL 215 CO 0.05 0.00 0.33 0.78 0.02 0.00 0.00 177.57 178.75 1k9x h ASN 216 N 0.00 0.58 -0.77 0.57 2.35 -1.05 -1.43 115.58 115.83 1k9x h ASN 216 Ca 0.07 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1k9x h ASN 216 Cb 0.11 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.29 1k9x h ASN 216 CO -0.15 0.43 0.48 -0.07 -1.65 0.00 0.00 177.43 176.47 1k9x h LEU 217 N 0.68 0.92 0.05 1.61 3.38 -0.78 -1.40 115.31 119.78 1k9x h LEU 217 Ca 0.18 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1k9x h LEU 217 Cb -0.07 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.45 1k9x h LEU 217 CO -0.04 0.70 -0.02 -0.25 0.09 0.00 0.00 178.44 178.92 1k9x h TRP 218 N 1.07 -0.06 -0.27 1.13 7.01 -0.27 -1.47 115.95 123.09 1k9x h TRP 218 Ca 0.28 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.32 1k9x h TRP 218 Cb -0.06 0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 26.98 1k9x h TRP 218 CO 0.00 0.04 0.02 0.82 -2.79 0.00 0.00 178.44 176.54 1k9x h ILE 219 N -0.15 0.84 -0.92 2.65 2.04 -0.79 -1.23 117.51 119.95 1k9x h ILE 219 Ca -0.01 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1k9x h ILE 219 Cb 0.13 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 1k9x h ILE 219 CO 0.01 0.02 0.61 -0.07 0.00 0.00 0.00 178.15 178.72 1k9x h LEU 220 N 0.11 1.05 -0.67 1.44 3.38 -1.16 -0.35 115.31 119.11 1k9x h LEU 220 Ca 0.12 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1k9x h LEU 220 Cb 0.15 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1k9x h LEU 220 CO -0.19 0.76 0.41 1.56 0.09 0.00 0.00 178.44 181.06 1k9x h GLN 221 N 1.24 0.91 0.00 1.13 4.20 -0.72 0.23 115.11 122.10 1k9x h GLN 221 Ca 0.34 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.92 1k9x h GLN 221 Cb -0.13 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.45 1k9x h GLN 221 CO -0.08 0.65 -0.22 0.87 -0.67 0.00 0.00 178.83 179.38 1k9x h LYS 222 N 0.92 0.00 0.00 1.46 1.79 -0.30 -0.36 116.57 120.07 1k9x h LYS 222 Ca 0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1k9x h LYS 222 Cb -0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1k9x h LYS 222 CO -0.05 0.22 -0.01 1.19 -1.08 0.00 0.00 179.45 179.72 1k9x n PHE 223 N -3.60 0.34 -2.01 -1.35 3.72 -0.23 -4.77 117.46 109.57 1k9x n PHE 223 Ca -0.01 0.10 -0.02 0.00 -0.05 0.00 0.00 57.45 57.47 1k9x n PHE 223 Cb 0.36 -0.66 -0.00 0.00 -0.94 0.00 0.00 39.48 38.24 1k9x n PHE 223 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1k9x n GLY 224 N 1.43 0.31 3.66 1.37 0.00 -0.14 -4.94 105.19 106.88 1k9x n GLY 224 Ca 0.06 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.08 1.96 -0.32 1.61 5.36 -0.10 -4.87 117.98 119.54 1k9x s PHE 225 Ca 0.00 0.18 -0.02 0.00 -0.96 0.00 0.00 56.93 56.13 1k9x s PHE 225 Cb 0.00 -3.93 -0.04 0.00 -0.34 0.00 0.00 43.02 38.72 1k9x s PHE 225 CO 0.00 -3.88 1.49 -0.35 -1.46 0.00 0.00 175.22 171.02 1k9x n PRO 226 N 7.16 0.88 -1.67 10.12 -0.04 -1.26 -4.76 135.00 145.42 1k9x n PRO 226 Ca 0.17 -0.78 -0.46 0.00 -0.04 0.00 0.00 63.50 62.40 1k9x n PRO 226 Cb 0.43 -2.06 -0.04 0.00 -0.04 0.00 0.00 33.50 31.79 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 4.14 3.16 0.00 1.53 4.32 -1.26 -0.49 117.00 128.41 1k9x n LEU 227 Ca 0.19 1.08 0.00 0.00 -0.02 0.00 0.00 56.01 57.26 1k9x n LEU 227 Cb 0.11 -1.44 0.00 0.00 -1.62 0.00 0.00 43.42 40.47 1k9x n LEU 227 CO 0.49 -0.25 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 1k9x n GLY 228 N 3.45 2.44 0.13 -0.72 0.00 -0.02 -4.70 105.19 105.77 1k9x n GLY 228 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.85 1.52 -0.84 2.61 -1.04 -0.78 -4.84 114.28 109.07 1k9x n THR 229 Ca 0.00 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1k9x n THR 229 Cb 0.00 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 66.53 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 -4.29 -0.03 -3.79 -2.82 1.74 0.36 -4.93 116.66 102.88 1k9x n ARG 230 Ca -0.47 -0.20 -0.10 0.00 -0.77 0.00 0.00 57.85 56.32 1k9x n ARG 230 Cb 0.81 -0.58 -0.06 0.00 -1.02 0.00 0.00 32.46 31.62 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 -0.03 -0.53 0.07 7.54 0.00 -0.39 -1.21 121.76 127.21 1k9x s ALA 231 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1k9x s ALA 231 Cb 0.00 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 1k9x s ALA 231 CO 0.00 -0.65 -0.05 1.03 0.00 0.00 0.00 175.76 176.09 1k9x s ARG 232 N -3.88 0.72 -0.08 0.00 0.52 -1.14 -0.85 118.95 114.25 1k9x s ARG 232 Ca 0.09 -1.27 0.02 0.00 -0.52 0.00 0.00 55.73 54.05 1k9x s ARG 232 Cb 0.02 -0.00 0.01 0.00 0.52 0.00 0.00 34.95 35.50 1k9x s ARG 232 CO -0.06 -0.06 -0.13 -1.17 0.02 0.00 0.00 175.30 173.89 1k9x s LEU 233 N -2.97 1.65 0.00 2.53 2.96 -1.26 -2.33 118.68 119.27 1k9x s LEU 233 Ca 0.09 -0.34 0.08 0.00 -0.22 0.00 0.00 54.13 53.74 1k9x s LEU 233 Cb 0.06 -0.91 -0.03 0.00 0.50 0.00 0.00 46.19 45.81 1k9x s LEU 233 CO -0.07 0.03 0.28 0.47 -1.32 0.00 0.00 176.35 175.73 1k9x n ASP 234 N 3.95 -0.66 -4.47 3.68 8.00 -0.82 -5.01 116.55 121.22 1k9x n ASP 234 Ca -0.21 -3.21 -0.32 0.00 0.71 0.00 0.00 54.79 51.76 1k9x n ASP 234 Cb 0.52 1.67 -0.13 0.00 -0.02 0.00 0.00 41.12 43.16 1k9x n ASP 234 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1k9x s VAL 235 N -3.36 2.94 0.36 2.53 1.01 -1.26 -1.75 120.40 120.87 1k9x s VAL 235 Ca 0.40 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 1k9x s VAL 235 Cb 0.02 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.21 1k9x s VAL 235 CO 0.28 0.45 0.55 -0.94 0.00 0.00 0.00 175.10 175.44 1k9x s SER 236 N -1.14 0.77 0.20 3.32 1.04 -0.98 -4.66 113.70 112.25 1k9x s SER 236 Ca 0.14 -1.44 -0.05 0.00 0.48 0.00 0.00 55.95 55.08 1k9x s SER 236 Cb -0.11 0.71 0.14 0.00 0.10 0.00 0.00 66.02 66.87 1k9x s SER 236 CO 0.04 -1.40 1.58 0.00 0.98 0.00 0.00 173.24 174.43 1k9x h ALA 237 N 2.07 0.79 -3.25 5.32 0.00 -1.88 -3.39 119.26 118.92 1k9x h ALA 237 Ca -0.29 -0.41 -0.43 0.00 0.00 0.00 0.00 54.91 53.77 1k9x h ALA 237 Cb 1.24 -0.13 -0.39 0.00 0.00 0.00 0.00 17.79 18.51 1k9x h ALA 237 CO 0.39 0.65 -0.76 -1.01 0.00 0.00 0.00 179.25 178.52 1k9x s HIS 238 N -4.44 0.52 0.18 0.00 3.76 -1.26 -4.92 115.29 109.12 1k9x s HIS 238 Ca -0.09 -0.16 -0.33 0.00 -0.15 0.00 0.00 55.06 54.33 1k9x s HIS 238 Cb 0.12 -0.74 -0.15 0.00 1.11 0.00 0.00 32.58 32.92 1k9x s HIS 238 CO 0.84 -0.35 1.19 -2.30 -0.85 0.00 0.00 174.74 173.28 1k9x n PRO 239 N 5.19 1.25 -3.84 8.40 -0.02 -1.26 -4.93 135.00 139.78 1k9x n PRO 239 Ca -0.06 0.45 -0.08 0.00 -2.02 0.00 0.00 63.50 61.79 1k9x n PRO 239 Cb 0.50 -1.96 -0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 -0.18 -0.06 -0.02 6.00 -0.12 -1.24 -4.98 117.98 117.38 1k9x s PHE 240 Ca 0.73 -0.48 0.05 0.00 -0.05 0.00 0.00 56.93 57.17 1k9x s PHE 240 Cb -0.83 0.75 -0.01 0.00 -0.63 0.00 0.00 43.02 42.30 1k9x s PHE 240 CO 0.52 -1.37 -0.16 0.99 -0.05 0.00 0.00 175.22 175.16 1k9x s THR 241 N -3.30 1.27 -0.02 -4.49 2.01 -1.26 -1.96 115.64 107.89 1k9x s THR 241 Ca 0.13 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.47 1k9x s THR 241 Cb -0.06 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.40 1k9x s THR 241 CO 0.09 0.36 -0.01 0.42 -0.69 0.00 0.00 174.62 174.79 1k9x s THR 242 N -0.22 0.23 -0.37 -0.82 -4.23 -0.10 -5.01 115.64 105.12 1k9x s THR 242 Ca 0.03 -0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.42 1k9x s THR 242 Cb -0.08 -0.28 0.02 0.00 1.34 0.00 0.00 72.50 73.51 1k9x s THR 242 CO 0.00 0.13 0.22 -0.70 -0.54 0.00 0.00 174.62 173.72 1k9x s GLU 243 N 0.66 2.93 0.14 3.99 -6.30 -1.26 -1.44 118.70 117.42 1k9x s GLU 243 Ca -0.07 -1.01 0.13 0.00 -2.50 0.00 0.00 54.97 51.52 1k9x s GLU 243 Cb -0.10 -3.75 -0.09 0.00 0.00 0.00 0.00 34.13 30.19 1k9x s GLU 243 CO -0.01 -0.66 1.14 0.74 0.02 0.00 0.00 175.26 176.48 1k9x h PHE 244 N 8.46 0.00 -2.01 5.30 0.05 -1.26 -3.48 116.94 123.99 1k9x h PHE 244 Ca -0.27 0.00 0.34 0.00 3.82 0.00 0.00 57.97 61.87 1k9x h PHE 244 Cb 1.11 0.00 -0.08 0.00 2.00 0.00 0.00 35.95 38.99 1k9x h PHE 244 CO 0.58 0.71 0.90 0.20 -0.18 0.00 0.00 178.31 180.51 1k9x s GLY 245 N -4.69 -0.17 0.42 -1.45 0.00 -1.09 -4.83 107.32 95.50 1k9x s GLY 245 Ca 0.00 0.14 0.13 0.00 0.00 0.00 0.00 44.72 44.99 1k9x s GLY 245 CO 0.79 4.79 1.95 -2.22 0.00 0.00 0.00 173.10 178.42 1k9x h ILE 246 N 2.00 1.16 -0.52 0.90 2.04 -1.94 -2.56 117.51 118.59 1k9x h ILE 246 Ca -0.23 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 64.89 1k9x h ILE 246 Cb 1.19 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1k9x h ILE 246 CO 0.31 0.22 0.00 0.54 0.00 0.00 0.00 178.15 179.21 1k9x n ARG 247 N -4.28 4.43 -2.91 2.37 1.74 -1.26 -4.53 116.66 112.22 1k9x n ARG 247 Ca -0.02 -3.08 -0.08 0.00 -0.77 0.00 0.00 57.85 53.90 1k9x n ARG 247 Cb 0.27 -2.16 -0.01 0.00 -1.02 0.00 0.00 32.46 29.54 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 -1.03 -0.92 -0.13 0.55 -1.08 -0.96 -4.44 116.67 108.66 1k9x s ASP 248 Ca 0.52 -1.91 0.00 0.00 -0.52 0.00 0.00 52.55 50.65 1k9x s ASP 248 Cb 0.40 1.48 -0.01 0.00 -1.46 0.00 0.00 42.92 43.33 1k9x s ASP 248 CO 0.15 -0.08 -0.14 -0.69 0.52 0.00 0.00 175.17 174.93 1k9x s VAL 249 N 0.80 2.92 0.09 1.11 1.01 -0.35 -0.66 120.40 125.33 1k9x s VAL 249 Ca 0.29 -0.70 0.10 0.00 0.00 0.00 0.00 61.98 61.67 1k9x s VAL 249 Cb 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1k9x s VAL 249 CO -0.08 0.52 -0.25 -0.13 0.00 0.00 0.00 175.10 175.17 1k9x s ARG 250 N 0.42 1.43 0.20 2.72 0.52 -0.52 -2.88 118.95 120.84 1k9x s ARG 250 Ca -0.11 -1.21 0.04 0.00 -0.52 0.00 0.00 55.73 53.93 1k9x s ARG 250 Cb -0.16 -1.76 -0.05 0.00 0.52 0.00 0.00 34.95 33.50 1k9x s ARG 250 CO 0.05 0.43 -0.04 0.96 0.02 0.00 0.00 175.30 176.72 1k9x s ILE 251 N -0.99 1.07 0.09 1.52 -4.36 -0.98 -0.92 121.20 116.62 1k9x s ILE 251 Ca 0.11 -2.04 -0.04 0.00 -0.26 0.00 0.00 60.65 58.42 1k9x s ILE 251 Cb -0.10 -2.17 -0.03 0.00 1.25 0.00 0.00 42.46 41.42 1k9x s ILE 251 CO 0.04 -0.47 0.07 0.42 0.24 0.00 0.00 174.94 175.24 1k9x s THR 252 N -3.40 0.16 0.30 8.37 -4.23 -0.83 -1.94 115.64 114.08 1k9x s THR 252 Ca 0.24 -1.65 -0.04 0.00 -1.18 0.00 0.00 61.69 59.06 1k9x s THR 252 Cb 0.05 -1.64 -0.01 0.00 1.34 0.00 0.00 72.50 72.24 1k9x s THR 252 CO 0.06 -0.71 0.42 0.28 -0.54 0.00 0.00 174.62 174.12 1k9x s THR 253 N -3.94 0.00 0.05 3.99 -1.32 -0.72 -3.67 115.64 110.03 1k9x s THR 253 Ca 0.12 -1.63 0.03 0.00 -1.21 0.00 0.00 61.69 59.00 1k9x s THR 253 Cb 0.07 -2.52 -0.02 0.00 -1.51 0.00 0.00 72.50 68.51 1k9x s THR 253 CO -0.06 0.00 -0.10 0.00 -2.21 0.00 0.00 174.62 172.25 1k9x s ARG 254 N -3.42 0.63 -0.40 7.08 1.70 -1.26 -2.31 118.95 120.97 1k9x s ARG 254 Ca 0.31 -0.78 -0.04 0.00 -0.47 0.00 0.00 55.73 54.74 1k9x s ARG 254 Cb 0.01 -0.49 0.10 0.00 -0.57 0.00 0.00 34.95 33.99 1k9x s ARG 254 CO 0.17 0.10 0.20 0.71 -1.08 0.00 0.00 175.30 175.40 1k9x s TYR 255 N -1.24 3.48 0.41 5.89 1.51 -1.26 -4.45 117.35 121.69 1k9x s TYR 255 Ca -0.06 -2.12 0.13 0.00 -1.01 0.00 0.00 57.07 54.01 1k9x s TYR 255 Cb -0.09 -3.04 0.86 0.00 -0.11 0.00 0.00 41.96 39.58 1k9x s TYR 255 CO 0.01 -0.93 1.91 0.93 -1.11 0.00 0.00 175.55 176.37 1k9x h GLU 256 N 8.15 0.02 0.00 -0.62 3.07 -1.98 -3.47 114.58 119.75 1k9x h GLU 256 Ca -0.17 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 1k9x h GLU 256 Cb 1.06 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 1k9x h GLU 256 CO 0.70 0.28 0.00 0.41 -1.40 0.00 0.00 179.01 179.00 1k9x n GLY 257 N -0.76 0.84 3.58 -3.84 0.00 -1.26 -5.05 105.19 98.69 1k9x n GLY 257 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.24 -0.93 1.61 -0.85 -1.26 -2.33 117.35 111.35 1k9x s TYR 258 Ca 0.00 0.09 -0.05 0.00 -0.52 0.00 0.00 57.07 56.60 1k9x s TYR 258 Cb 0.00 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.86 1k9x s TYR 258 CO 0.00 -0.50 0.81 -3.47 -1.52 0.00 0.00 175.55 170.87 1k9x n ASP 259 N -0.27 -6.95 0.28 -0.18 2.03 -1.09 -4.85 116.55 105.51 1k9x n ASP 259 Ca -0.06 -0.49 0.18 0.00 0.52 0.00 0.00 54.79 54.94 1k9x n ASP 259 Cb 0.61 -5.00 0.93 0.00 -0.72 0.00 0.00 41.12 36.95 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 -0.52 0.00 -0.44 -0.67 -5.15 -1.81 -1.98 116.94 106.37 1k9x h PHE 260 Ca -0.38 0.00 0.09 0.00 -0.20 0.00 0.00 57.97 57.49 1k9x h PHE 260 Cb 1.20 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.34 1k9x h PHE 260 CO 0.26 0.00 0.31 0.07 -2.00 0.00 0.00 178.31 176.95 1k9x h ARG 261 N 0.00 0.19 0.49 6.09 0.11 -1.92 -2.99 114.38 116.35 1k9x h ARG 261 Ca 0.04 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.09 1k9x h ARG 261 Cb 0.42 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.45 1k9x h ARG 261 CO -0.00 0.12 -0.41 0.00 0.10 0.00 0.00 179.97 179.78 1k9x h ARG 262 N 0.19 -0.85 0.00 0.08 3.08 -1.69 -1.69 114.38 113.50 1k9x h ARG 262 Ca 0.21 0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.28 1k9x h ARG 262 Cb 0.56 0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 1k9x h ARG 262 CO -0.03 -0.57 -0.14 0.00 -1.07 0.00 0.00 179.97 178.15 1k9x h THR 263 N -0.89 0.94 0.35 2.04 1.03 -1.74 -0.77 112.91 113.88 1k9x h THR 263 Ca -0.06 -0.52 -0.02 0.00 -0.01 0.00 0.00 66.41 65.80 1k9x h THR 263 Cb 0.75 1.29 0.00 0.00 -1.07 0.00 0.00 68.15 69.12 1k9x h THR 263 CO -0.01 0.14 -0.17 0.40 -0.01 0.00 0.00 175.52 175.88 1k9x h ILE 264 N 0.00 0.00 -0.26 0.00 2.04 -1.41 -1.29 117.51 116.59 1k9x h ILE 264 Ca -0.00 -0.32 0.06 0.00 1.00 0.00 0.00 64.86 65.60 1k9x h ILE 264 Cb 0.28 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1k9x h ILE 264 CO 0.02 0.00 0.18 -0.07 0.00 0.00 0.00 178.15 178.28 1k9x h LEU 265 N -0.79 0.07 -0.25 1.44 3.38 -1.31 0.33 115.31 118.18 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 0.36 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1k9x h LEU 265 CO 0.08 0.05 -0.10 -1.28 0.09 0.00 0.00 178.44 177.27 1k9x h SER 266 N 0.08 0.52 -0.15 -0.43 0.87 -1.18 0.16 113.55 113.42 1k9x h SER 266 Ca 0.12 -0.40 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 1k9x h SER 266 Cb 0.38 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1k9x h SER 266 CO -0.01 0.80 0.03 0.74 -0.53 0.00 0.00 176.83 177.86 1k9x h THR 267 N 0.24 1.21 -0.56 2.23 2.02 0.31 -1.75 112.91 116.61 1k9x h THR 267 Ca 0.06 -0.67 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1k9x h THR 267 Cb 0.59 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 1k9x h THR 267 CO 0.03 0.20 0.19 0.58 0.37 0.00 0.00 175.52 176.90 1k9x h VAL 268 N 0.04 1.21 -0.13 3.16 2.07 -0.46 0.27 116.25 122.42 1k9x h VAL 268 Ca 0.05 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 66.89 1k9x h VAL 268 Cb 0.28 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1k9x h VAL 268 CO 0.00 0.27 -0.06 -0.74 0.02 0.00 0.00 177.57 177.06 1k9x h HIS 269 N 0.81 -0.15 -0.18 1.57 6.17 -0.37 -1.34 115.15 121.66 1k9x h HIS 269 Ca 0.19 0.01 -0.12 0.00 0.71 0.00 0.00 60.37 61.17 1k9x h HIS 269 Cb 0.21 0.09 -0.01 0.00 2.52 0.00 0.00 27.41 30.21 1k9x h HIS 269 CO 0.01 -0.10 -0.38 0.93 0.71 0.00 0.00 177.93 179.09 1k9x h GLU 270 N -0.06 0.41 -0.83 5.26 4.39 -0.84 -2.29 114.58 120.63 1k9x h GLU 270 Ca 0.07 -0.19 0.09 0.00 0.34 0.00 0.00 59.36 59.67 1k9x h GLU 270 Cb 0.16 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.74 1k9x h GLU 270 CO -0.16 0.73 0.48 0.35 -1.16 0.00 0.00 179.01 179.25 1k9x h PHE 271 N 0.34 0.88 -0.79 4.33 3.57 -0.39 0.28 116.94 125.16 1k9x h PHE 271 Ca 0.03 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.68 1k9x h PHE 271 Cb 0.83 -0.27 -0.08 0.00 2.79 0.00 0.00 35.95 39.21 1k9x h PHE 271 CO 0.02 0.38 0.40 0.78 -2.23 0.00 0.00 178.31 177.66 1k9x h GLY 272 N 0.83 1.23 0.53 2.40 0.00 -0.66 0.11 103.07 107.51 1k9x h GLY 272 Ca 0.39 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1k9x h GLY 272 CO -0.23 0.01 -0.03 0.45 0.00 0.00 0.00 176.54 176.74 1k9x h HIS 273 N 0.61 -0.09 -0.61 5.60 3.86 -1.21 -3.25 115.15 120.07 1k9x h HIS 273 Ca 0.41 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.72 1k9x h HIS 273 Cb 0.52 0.03 -0.08 0.00 1.06 0.00 0.00 27.41 28.94 1k9x h HIS 273 CO -0.10 0.36 0.21 0.00 0.86 0.00 0.00 177.93 179.25 1k9x h ALA 274 N 0.31 0.77 -0.85 2.45 0.00 -0.39 -1.56 119.26 120.00 1k9x h ALA 274 Ca -0.01 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.09 1k9x h ALA 274 Cb 0.48 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1k9x h ALA 274 CO 0.02 -0.22 0.55 1.25 0.00 0.00 0.00 179.25 180.85 1k9x h LEU 275 N 0.37 0.76 -0.48 0.00 5.85 -0.88 0.32 115.31 121.25 1k9x h LEU 275 Ca 0.31 0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.06 1k9x h LEU 275 Cb 0.41 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1k9x h LEU 275 CO -0.33 0.45 0.30 0.22 -0.34 0.00 0.00 178.44 178.75 1k9x h TYR 276 N 0.84 0.57 -0.02 1.25 5.03 -1.32 -0.91 116.97 122.41 1k9x h TYR 276 Ca 0.39 0.02 -0.19 0.00 2.58 0.00 0.00 58.73 61.52 1k9x h TYR 276 Cb 0.39 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.47 1k9x h TYR 276 CO -0.00 0.34 -0.82 0.93 -1.32 0.00 0.00 178.16 177.29 1k9x h GLU 277 N 0.61 0.27 -0.28 1.82 4.39 -0.96 -3.16 114.58 117.28 1k9x h GLU 277 Ca 0.18 -0.27 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 1k9x h GLU 277 Cb -0.03 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1k9x h GLU 277 CO -0.06 0.95 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.52 1k9x h LEU 278 N 0.17 0.47 -3.43 1.33 4.07 -0.13 -3.17 115.31 114.61 1k9x h LEU 278 Ca -0.04 -0.13 -0.34 0.00 0.08 0.00 0.00 57.88 57.44 1k9x h LEU 278 Cb 1.43 -0.13 -0.21 0.00 1.08 0.00 0.00 40.66 42.84 1k9x h LEU 278 CO 0.13 0.65 0.44 0.00 -1.08 0.00 0.00 178.44 178.58 1k9x n GLN 279 N -4.19 2.17 -2.45 1.13 6.02 -0.37 -4.91 117.38 114.79 1k9x n GLN 279 Ca 0.00 -2.27 -0.33 0.00 -0.01 0.00 0.00 57.00 54.39 1k9x n GLN 279 Cb 0.34 -1.91 -0.03 0.00 1.02 0.00 0.00 30.24 29.66 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 -2.46 3.83 -0.35 -1.09 2.00 -1.20 -3.80 119.66 116.59 1k9x s GLN 280 Ca 0.43 1.15 -0.29 0.00 -2.00 0.00 0.00 55.36 54.65 1k9x s GLN 280 Cb 0.35 -2.11 -0.00 0.00 0.80 0.00 0.00 33.01 32.05 1k9x s GLN 280 CO 0.09 -0.38 1.54 0.34 -0.50 0.00 0.00 175.29 176.37 1k9x s ASP 281 N -2.53 6.25 0.37 6.67 -1.08 -1.26 -4.87 116.67 120.21 1k9x s ASP 281 Ca 0.63 1.11 0.21 0.00 -0.52 0.00 0.00 52.55 53.98 1k9x s ASP 281 Cb -0.13 -2.53 1.14 0.00 -1.46 0.00 0.00 42.92 39.94 1k9x s ASP 281 CO 0.26 -1.46 1.61 -0.33 0.52 0.00 0.00 175.17 175.77 1k9x h GLU 282 N 11.20 0.00 0.00 4.34 5.08 -1.96 0.15 114.58 133.39 1k9x h GLU 282 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1k9x h GLU 282 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1k9x h GLU 282 CO 1.05 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 179.60 1k9x n ARG 283 N -2.28 0.20 -0.20 2.33 1.74 -1.26 -2.00 116.66 115.19 1k9x n ARG 283 Ca -0.01 0.40 0.11 0.00 -0.77 0.00 0.00 57.85 57.58 1k9x n ARG 283 Cb 0.15 -1.87 0.26 0.00 -1.02 0.00 0.00 32.46 29.98 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 -2.25 0.52 -1.60 -1.55 3.72 0.51 -4.99 117.46 111.82 1k9x n PHE 284 Ca 0.02 -0.26 -0.47 0.00 -0.05 0.00 0.00 57.45 56.70 1k9x n PHE 284 Cb 0.25 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.76 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 1.20 1.38 -0.84 -1.08 1.56 -0.85 -1.52 117.12 116.98 1k9x n MET 285 Ca 0.19 0.49 0.00 0.00 -0.27 0.00 0.00 57.70 58.11 1k9x n MET 285 Cb 0.53 -1.99 0.00 0.00 2.15 0.00 0.00 33.22 33.91 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 1.28 0.00 -3.94 1.12 0.99 -1.26 -5.00 117.46 110.64 1k9x n PHE 286 Ca 0.13 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.36 1k9x n PHE 286 Cb 0.28 -0.53 -0.05 0.00 -1.00 0.00 0.00 39.48 38.18 1k9x n PHE 286 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1k9x s THR 287 N -2.89 3.50 -0.78 4.37 -4.23 -0.58 -4.60 115.64 110.42 1k9x s THR 287 Ca 0.00 -1.48 0.17 0.00 -1.18 0.00 0.00 61.69 59.20 1k9x s THR 287 Cb 0.00 -3.14 0.16 0.00 1.34 0.00 0.00 72.50 70.86 1k9x s THR 287 CO 0.00 -0.20 1.52 -0.81 -0.54 0.00 0.00 174.62 174.59 1k9x n PRO 288 N -1.27 0.07 0.00 3.99 -0.04 -1.26 -2.86 135.00 133.63 1k9x n PRO 288 Ca -0.03 0.35 0.12 0.00 -0.04 0.00 0.00 63.50 63.89 1k9x n PRO 288 Cb 0.60 -1.65 0.18 0.00 -0.04 0.00 0.00 33.50 32.59 1k9x n PRO 288 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1k9x n ILE 289 N -1.79 0.00 -2.81 0.52 -5.35 -1.26 -4.75 119.36 103.92 1k9x n ILE 289 Ca 0.03 -0.02 -0.41 0.00 -0.27 0.00 0.00 62.75 62.07 1k9x n ILE 289 Cb 0.17 0.45 -0.04 0.00 -1.74 0.00 0.00 39.64 38.48 1k9x n ILE 289 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1k9x s ALA 290 N -2.93 3.22 0.00 -1.28 0.00 -1.13 0.43 121.76 120.06 1k9x s ALA 290 Ca 0.12 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1k9x s ALA 290 Cb 0.17 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1k9x s ALA 290 CO 0.71 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.71 1k9x n GLY 291 N 2.88 3.38 3.67 0.00 0.00 -1.26 -4.81 105.19 109.04 1k9x n GLY 291 Ca 0.03 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.08 0.13 0.16 -0.02 0.00 -1.26 -3.02 105.19 100.10 1k9x n GLY 292 Ca 0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 1k9x n GLY 292 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1k9x h VAL 293 N 0.73 1.32 -3.75 1.61 -1.51 -1.93 -3.44 116.25 109.28 1k9x h VAL 293 Ca -0.49 -2.50 -0.12 0.00 -1.23 0.00 0.00 66.70 62.36 1k9x h VAL 293 Cb 1.34 2.83 -0.08 0.00 -2.13 0.00 0.00 31.29 33.25 1k9x h VAL 293 CO 0.53 0.75 -0.11 -0.94 -1.23 0.00 0.00 177.57 176.57 1k9x s SER 294 N -7.37 0.22 0.18 4.19 1.04 -1.26 -4.93 113.70 105.77 1k9x s SER 294 Ca -0.10 -1.12 -0.07 0.00 0.48 0.00 0.00 55.95 55.13 1k9x s SER 294 Cb 0.04 0.63 0.08 0.00 0.10 0.00 0.00 66.02 66.88 1k9x s SER 294 CO 0.92 -1.23 1.57 -0.07 0.98 0.00 0.00 173.24 175.40 1k9x h LEU 295 N 2.20 0.89 -0.25 2.42 3.38 -1.95 -1.02 115.31 120.97 1k9x h LEU 295 Ca -0.28 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 1k9x h LEU 295 Cb 1.25 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1k9x h LEU 295 CO 0.37 1.11 0.13 1.23 0.09 0.00 0.00 178.44 181.37 1k9x h GLY 296 N 0.91 0.37 1.18 0.83 0.00 -1.84 0.13 103.07 104.65 1k9x h GLY 296 Ca 0.09 -0.17 -0.15 0.00 0.00 0.00 0.00 47.33 47.09 1k9x h GLY 296 CO 0.07 0.17 -0.33 -2.22 0.00 0.00 0.00 176.54 174.23 1k9x h ILE 297 N 0.28 1.27 -0.53 2.60 1.08 -1.90 -1.73 117.51 118.58 1k9x h ILE 297 Ca 0.09 -1.50 -0.00 0.00 -0.39 0.00 0.00 64.86 63.06 1k9x h ILE 297 Cb 0.08 1.31 -0.03 0.00 -3.07 0.00 0.00 36.82 35.11 1k9x h ILE 297 CO -0.01 0.50 0.32 -0.74 -0.69 0.00 0.00 178.15 177.53 1k9x h HIS 298 N 0.76 0.71 -0.14 1.37 2.76 -0.92 -1.70 115.15 117.99 1k9x h HIS 298 Ca 0.08 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 1k9x h HIS 298 Cb 0.91 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.63 1k9x h HIS 298 CO 0.06 0.49 0.05 0.93 -1.30 0.00 0.00 177.93 178.16 1k9x h GLU 299 N 0.71 0.19 -0.34 5.26 4.39 -0.57 -1.04 114.58 123.18 1k9x h GLU 299 Ca 0.19 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 1k9x h GLU 299 Cb -0.00 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1k9x h GLU 299 CO -0.03 0.17 -0.01 0.66 -1.16 0.00 0.00 179.01 178.63 1k9x h SER 300 N 0.20 0.50 -0.12 1.42 4.64 -0.38 -0.70 113.55 119.10 1k9x h SER 300 Ca 0.05 -0.10 -0.16 0.00 -0.47 0.00 0.00 61.79 61.12 1k9x h SER 300 Cb 0.05 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1k9x h SER 300 CO -0.01 0.58 -0.54 1.56 -0.87 0.00 0.00 176.83 177.55 1k9x h GLN 301 N 0.51 0.58 -0.49 4.77 1.08 -0.91 -0.66 115.11 119.99 1k9x h GLN 301 Ca 0.11 -0.46 -0.11 0.00 -1.45 0.00 0.00 58.65 56.74 1k9x h GLN 301 Cb 0.35 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.85 1k9x h GLN 301 CO 0.01 1.09 -0.13 0.66 -0.95 0.00 0.00 178.83 179.51 1k9x h SER 302 N 0.21 0.93 0.17 1.46 4.64 -1.19 -2.84 113.55 116.93 1k9x h SER 302 Ca -0.03 -0.31 -0.19 0.00 -0.47 0.00 0.00 61.79 60.79 1k9x h SER 302 Cb 1.18 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1k9x h SER 302 CO 0.11 1.06 -0.74 0.03 -0.87 0.00 0.00 176.83 176.43 1k9x h ARG 303 N 0.83 0.48 -0.13 4.77 2.47 -1.14 -0.60 114.38 121.06 1k9x h ARG 303 Ca 0.13 -0.39 0.05 0.00 -1.26 0.00 0.00 59.98 58.50 1k9x h ARG 303 Cb 0.67 0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 29.02 1k9x h ARG 303 CO 0.05 1.03 -0.21 0.35 0.56 0.00 0.00 179.97 181.75 1k9x h PHE 304 N 0.33 -0.55 -0.23 3.04 3.57 -1.01 0.11 116.94 122.20 1k9x h PHE 304 Ca -0.03 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 1k9x h PHE 304 Cb 1.32 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 40.32 1k9x h PHE 304 CO 0.05 -0.29 -0.38 -1.49 -2.23 0.00 0.00 178.31 173.97 1k9x h TRP 305 N -0.26 0.83 0.01 0.41 4.06 -1.46 -1.78 115.95 117.77 1k9x h TRP 305 Ca 0.10 -0.29 -0.00 0.00 2.06 0.00 0.00 58.89 60.76 1k9x h TRP 305 Cb 0.41 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 28.41 1k9x h TRP 305 CO -0.31 1.05 -0.01 1.49 -3.56 0.00 0.00 178.44 177.10 1k9x h GLU 306 N 0.37 -0.02 0.00 0.49 4.81 -0.96 0.19 114.58 119.47 1k9x h GLU 306 Ca 0.02 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 58.87 1k9x h GLU 306 Cb 0.98 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.29 1k9x h GLU 306 CO 0.09 0.38 -2.41 0.09 -0.73 0.00 0.00 179.01 176.43 1k9x n ASN 307 N -4.91 2.06 -0.05 1.04 3.02 0.35 -2.46 115.26 114.32 1k9x n ASN 307 Ca -0.08 -0.10 -0.07 0.00 -0.03 0.00 0.00 54.58 54.30 1k9x n ASN 307 Cb 0.21 -0.42 0.12 0.00 -0.61 0.00 0.00 39.78 39.08 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 -0.07 1.28 0.00 2.41 1.08 -1.16 -3.25 117.51 117.80 1k9x h ILE 308 Ca -0.56 -1.37 -0.26 0.00 -0.39 0.00 0.00 64.86 62.28 1k9x h ILE 308 Cb 1.84 1.32 -0.04 0.00 -3.07 0.00 0.00 36.82 36.87 1k9x h ILE 308 CO -0.11 0.45 -1.80 -0.38 -0.69 0.00 0.00 178.15 175.62 1k9x n ILE 309 N -4.10 1.10 0.13 -0.67 5.41 -0.78 -4.43 119.36 116.03 1k9x n ILE 309 Ca -0.00 -0.17 0.18 0.00 1.00 0.00 0.00 62.75 63.75 1k9x n ILE 309 Cb 0.45 -1.82 0.77 0.00 -0.71 0.00 0.00 39.64 38.32 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 -0.68 0.00 -1.54 7.39 0.00 -0.28 -2.00 103.07 105.96 1k9x h GLY 310 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1k9x h GLY 310 CO -0.24 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.84 1k9x n ARG 311 N -3.97 2.62 -2.18 4.80 1.74 -1.13 -4.71 116.66 113.84 1k9x n ARG 311 Ca 0.05 -2.09 -0.31 0.00 -0.77 0.00 0.00 57.85 54.72 1k9x n ARG 311 Cb 0.44 -1.33 -0.01 0.00 -1.02 0.00 0.00 32.46 30.54 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 -1.02 6.42 0.26 0.55 1.04 -0.75 -4.84 113.70 115.35 1k9x s SER 312 Ca 0.27 1.46 -0.01 0.00 0.48 0.00 0.00 55.95 58.15 1k9x s SER 312 Cb 0.15 -2.47 0.33 0.00 0.10 0.00 0.00 66.02 64.12 1k9x s SER 312 CO 0.19 -0.71 1.72 0.50 0.98 0.00 0.00 173.24 175.92 1k9x h LYS 313 N 0.33 0.68 -0.70 4.02 3.64 -1.94 -2.30 116.57 120.30 1k9x h LYS 313 Ca -0.45 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 58.67 1k9x h LYS 313 Cb 1.19 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 1k9x h LYS 313 CO 0.62 0.79 0.33 0.93 -2.27 0.00 0.00 179.45 179.85 1k9x h GLU 314 N 0.62 1.01 -0.30 1.90 3.07 -1.91 0.43 114.58 119.39 1k9x h GLU 314 Ca 0.10 -0.15 -0.03 0.00 -0.50 0.00 0.00 59.36 58.79 1k9x h GLU 314 Cb 0.58 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 1k9x h GLU 314 CO 0.04 0.80 0.09 0.35 -1.40 0.00 0.00 179.01 178.88 1k9x h PHE 315 N 0.97 0.49 -0.22 4.33 3.57 -1.74 0.54 116.94 124.88 1k9x h PHE 315 Ca 0.24 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.71 1k9x h PHE 315 Cb 0.13 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1k9x h PHE 315 CO 0.01 0.51 0.07 0.28 -2.23 0.00 0.00 178.31 176.95 1k9x h VAL 316 N 0.33 0.94 -0.70 1.41 2.07 -1.03 0.42 116.25 119.69 1k9x h VAL 316 Ca 0.10 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1k9x h VAL 316 Cb 0.26 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1k9x h VAL 316 CO -0.00 0.03 0.46 -0.33 0.02 0.00 0.00 177.57 177.75 1k9x h GLU 317 N 0.18 0.92 -0.98 1.57 5.08 0.21 0.25 114.58 121.80 1k9x h GLU 317 Ca 0.10 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1k9x h GLU 317 Cb 0.06 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.05 1k9x h GLU 317 CO -0.10 0.61 0.64 1.25 -1.00 0.00 0.00 179.01 180.41 1k9x h LEU 318 N 0.95 1.05 0.00 1.33 5.85 0.90 -3.00 115.31 122.39 1k9x h LEU 318 Ca 0.26 -0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.81 1k9x h LEU 318 Cb -0.11 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.66 1k9x h LEU 318 CO -0.06 0.70 -1.15 0.40 -0.34 0.00 0.00 178.44 178.00 1k9x h ILE 319 N 1.21 0.71 -0.97 4.05 1.08 -0.33 -3.41 117.51 119.85 1k9x h ILE 319 Ca 0.40 -2.20 0.17 0.00 -0.39 0.00 0.00 64.86 62.84 1k9x h ILE 319 Cb 0.06 2.22 -0.17 0.00 -3.07 0.00 0.00 36.82 35.87 1k9x h ILE 319 CO -0.14 0.40 -0.33 0.00 -0.69 0.00 0.00 178.15 177.39 1k9x n TYR 320 N -3.03 0.16 0.20 1.37 9.36 0.82 -0.30 117.16 125.74 1k9x n TYR 320 Ca -0.06 1.19 0.09 0.00 3.32 0.00 0.00 57.90 62.45 1k9x n TYR 320 Cb 0.83 -0.94 0.63 0.00 -0.63 0.00 0.00 39.34 39.23 1k9x n TYR 320 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1k9x h PRO 321 N 0.00 0.04 -0.21 2.98 0.13 -1.79 -1.18 132.00 131.99 1k9x h PRO 321 Ca 0.39 -0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.33 1k9x h PRO 321 Cb 0.63 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.75 1k9x h PRO 321 CO -0.98 0.03 -0.62 0.28 -0.23 0.00 0.00 178.00 176.47 1k9x h VAL 322 N 0.05 1.30 -0.22 1.56 2.07 -0.94 -1.49 116.25 118.57 1k9x h VAL 322 Ca 0.05 -1.85 -0.03 0.00 0.82 0.00 0.00 66.70 65.68 1k9x h VAL 322 Cb 0.14 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1k9x h VAL 322 CO -0.00 0.59 0.00 -0.07 0.02 0.00 0.00 177.57 178.11 1k9x h LEU 323 N 0.53 0.38 -1.58 2.57 3.38 -0.86 -2.39 115.31 117.34 1k9x h LEU 323 Ca -0.01 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1k9x h LEU 323 Cb 1.22 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1k9x h LEU 323 CO 0.13 0.59 0.16 0.50 0.09 0.00 0.00 178.44 179.91 1k9x h LYS 324 N 0.16 0.44 0.00 1.13 3.64 -1.20 0.44 116.57 121.18 1k9x h LYS 324 Ca 0.06 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.29 1k9x h LYS 324 Cb 0.39 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1k9x h LYS 324 CO 0.01 0.34 -0.52 1.49 -2.27 0.00 0.00 179.45 178.50 1k9x h GLU 325 N 0.45 0.00 0.00 1.90 4.81 -0.99 -3.34 114.58 117.40 1k9x h GLU 325 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1k9x h GLU 325 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1k9x h GLU 325 CO -0.02 0.52 -0.83 0.09 -0.73 0.00 0.00 179.01 178.04 1k9x n ASN 326 N -3.76 1.47 -4.08 1.04 3.02 -0.78 -4.93 115.26 107.24 1k9x n ASN 326 Ca -0.01 -0.41 -0.33 0.00 -0.03 0.00 0.00 54.58 53.79 1k9x n ASN 326 Cb 0.56 1.17 -0.14 0.00 -0.61 0.00 0.00 39.78 40.76 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 -2.92 4.66 0.27 3.41 1.43 0.15 -4.81 118.68 120.87 1k9x s LEU 327 Ca 0.01 -1.91 -0.02 0.00 -1.03 0.00 0.00 54.13 51.18 1k9x s LEU 327 Cb 0.06 -1.70 0.58 0.00 0.03 0.00 0.00 46.19 45.17 1k9x s LEU 327 CO 0.37 -0.40 1.65 -0.65 0.23 0.00 0.00 176.35 177.55 1k9x h PRO 328 N 7.83 0.18 0.00 1.29 0.11 -1.85 0.16 132.00 139.71 1k9x h PRO 328 Ca -0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1k9x h PRO 328 Cb 1.04 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1k9x h PRO 328 CO 0.57 0.12 0.00 1.97 -0.21 0.00 0.00 178.00 180.45 1k9x n PHE 329 N -5.26 0.77 0.35 0.65 1.16 -1.26 -2.49 117.46 111.38 1k9x n PHE 329 Ca 0.18 0.35 0.06 0.00 -1.87 0.00 0.00 57.45 56.17 1k9x n PHE 329 Cb 0.58 -1.06 0.27 0.00 -1.61 0.00 0.00 39.48 37.66 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 -2.25 0.03 0.25 3.97 2.81 0.55 -2.42 117.12 120.06 1k9x n MET 330 Ca 0.00 0.35 0.11 0.00 -1.81 0.00 0.00 57.70 56.36 1k9x n MET 330 Cb 0.12 -1.57 0.72 0.00 -0.71 0.00 0.00 33.22 31.78 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 -0.49 7.83 0.02 -1.67 -1.96 113.55 117.28 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 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 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 -4.33 3.34 -4.01 3.07 3.02 -1.02 -4.93 115.26 110.41 1k9x n ASN 332 Ca -0.02 -2.22 -0.15 0.00 -0.03 0.00 0.00 54.58 52.16 1k9x n ASN 332 Cb 0.13 -0.45 -0.13 0.00 -0.61 0.00 0.00 39.78 38.72 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 -1.60 0.60 0.48 3.10 1.51 -0.74 -5.13 117.35 115.57 1k9x s TYR 333 Ca 0.37 -0.26 0.08 0.00 -1.01 0.00 0.00 57.07 56.25 1k9x s TYR 333 Cb 0.22 -0.37 0.03 0.00 -0.11 0.00 0.00 41.96 41.74 1k9x s TYR 333 CO 0.20 -0.04 0.61 0.95 -1.11 0.00 0.00 175.55 176.16 1k9x s THR 334 N -0.64 2.54 0.49 -0.71 -4.23 -1.26 -4.98 115.64 106.84 1k9x s THR 334 Ca -0.03 -1.09 0.24 0.00 -1.18 0.00 0.00 61.69 59.63 1k9x s THR 334 Cb -0.05 -2.63 0.29 0.00 1.34 0.00 0.00 72.50 71.44 1k9x s THR 334 CO 0.00 0.00 2.13 1.55 -0.54 0.00 0.00 174.62 177.76 1k9x h PRO 335 N 0.54 0.00 -0.29 3.99 0.13 -1.99 -1.96 132.00 132.42 1k9x h PRO 335 Ca -0.36 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.64 1k9x h PRO 335 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1k9x h PRO 335 CO 0.46 0.08 -0.36 0.93 -0.23 0.00 0.00 178.00 178.89 1k9x h GLU 336 N 0.00 0.66 0.06 0.86 3.07 -1.99 -1.06 114.58 116.18 1k9x h GLU 336 Ca -0.00 -0.32 -0.00 0.00 -0.50 0.00 0.00 59.36 58.54 1k9x h GLU 336 Cb 0.18 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1k9x h GLU 336 CO 0.01 0.92 -0.03 -0.44 -1.40 0.00 0.00 179.01 178.07 1k9x h ASP 337 N 0.55 -0.07 -0.44 1.42 3.45 -1.75 -1.34 116.42 118.25 1k9x h ASP 337 Ca 0.06 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.42 1k9x h ASP 337 Cb 0.87 0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.64 1k9x h ASP 337 CO 0.08 0.05 0.28 0.58 -1.57 0.00 0.00 179.24 178.66 1k9x h VAL 338 N -0.18 1.12 -0.67 -1.35 2.07 -1.43 0.24 116.25 116.07 1k9x h VAL 338 Ca -0.01 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1k9x h VAL 338 Cb 0.16 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1k9x h VAL 338 CO 0.01 0.12 0.35 0.22 0.02 0.00 0.00 177.57 178.30 1k9x h TYR 339 N 0.59 0.92 -0.60 1.57 3.20 -1.10 0.54 116.97 122.10 1k9x h TYR 339 Ca 0.16 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.91 1k9x h TYR 339 Cb -0.04 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 37.91 1k9x h TYR 339 CO -0.04 0.67 0.03 -0.07 -1.64 0.00 0.00 178.16 177.11 1k9x h LEU 340 N 0.91 1.00 -0.52 2.82 3.38 -0.84 -0.40 115.31 121.66 1k9x h LEU 340 Ca 0.23 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1k9x h LEU 340 Cb 0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1k9x h LEU 340 CO -0.04 1.04 0.30 0.22 0.09 0.00 0.00 178.44 180.05 1k9x h TYR 341 N 0.95 0.71 0.00 1.13 3.20 0.11 -2.03 116.97 121.04 1k9x h TYR 341 Ca 0.18 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1k9x h TYR 341 Cb 0.51 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.55 1k9x h TYR 341 CO 0.03 0.51 0.00 0.74 -1.64 0.00 0.00 178.16 177.81 1k9x h PHE 342 N 0.70 0.00 -0.69 -3.82 -1.00 0.59 -3.22 116.94 109.50 1k9x h PHE 342 Ca 0.19 0.00 -0.49 0.00 2.81 0.00 0.00 57.97 60.47 1k9x h PHE 342 Cb 0.03 0.00 -0.35 0.00 3.61 0.00 0.00 35.95 39.23 1k9x h PHE 342 CO -0.02 0.00 -0.54 0.09 -1.61 0.00 0.00 178.31 176.23 1k9x n ASN 343 N -3.06 4.81 -4.77 2.17 3.02 -0.21 -4.95 115.26 112.27 1k9x n ASN 343 Ca 0.01 -3.77 -0.41 0.00 -0.03 0.00 0.00 54.58 50.37 1k9x n ASN 343 Cb 0.30 -0.45 -0.01 0.00 -0.61 0.00 0.00 39.78 39.00 1k9x n ASN 343 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1k9x s ILE 344 N -4.42 2.41 -0.12 2.41 1.01 -1.02 -4.70 121.20 116.77 1k9x s ILE 344 Ca 0.51 0.41 0.01 0.00 0.00 0.00 0.00 60.65 61.58 1k9x s ILE 344 Cb 0.42 -3.26 0.02 0.00 0.01 0.00 0.00 42.46 39.65 1k9x s ILE 344 CO 0.02 0.10 -0.14 -0.69 0.00 0.00 0.00 174.94 174.23 1k9x s VAL 345 N -1.12 1.42 -0.30 2.92 1.01 -0.78 -4.73 120.40 118.81 1k9x s VAL 345 Ca 0.51 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 1k9x s VAL 345 Cb -0.43 -1.32 0.15 0.00 0.00 0.00 0.00 36.38 34.78 1k9x s VAL 345 CO 0.58 0.43 0.65 -0.60 0.00 0.00 0.00 175.10 176.15 1k9x s ARG 346 N 1.20 0.56 0.13 2.72 3.52 -1.26 -3.91 118.95 121.92 1k9x s ARG 346 Ca -0.02 1.28 -0.31 0.00 -0.13 0.00 0.00 55.73 56.55 1k9x s ARG 346 Cb -0.14 0.76 -0.08 0.00 -1.56 0.00 0.00 34.95 33.93 1k9x s ARG 346 CO -0.05 -0.33 1.33 -1.25 -0.81 0.00 0.00 175.30 174.19 1k9x s PRO 347 N 2.88 4.37 0.36 5.12 0.04 -1.26 -4.65 135.00 141.85 1k9x s PRO 347 Ca 0.03 2.01 -0.10 0.00 0.04 0.00 0.00 61.00 62.98 1k9x s PRO 347 Cb -0.13 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 31.19 1k9x s PRO 347 CO -0.20 -0.34 0.65 0.34 0.04 0.00 0.00 177.00 177.49 1k9x s ASP 348 N 0.83 0.36 0.11 6.66 -1.08 -1.26 -5.05 116.67 117.24 1k9x s ASP 348 Ca 0.61 -1.25 -0.09 0.00 -0.52 0.00 0.00 52.55 51.30 1k9x s ASP 348 Cb -0.35 0.76 -0.15 0.00 -1.46 0.00 0.00 42.92 41.71 1k9x s ASP 348 CO 0.33 -1.49 1.26 -0.26 0.52 0.00 0.00 175.17 175.52 1k9x h PHE 349 N 2.05 0.84 -3.53 -5.34 0.05 -1.94 -3.45 116.94 105.63 1k9x h PHE 349 Ca -0.30 -0.45 -0.62 0.00 3.82 0.00 0.00 57.97 60.43 1k9x h PHE 349 Cb 1.25 -0.10 -0.12 0.00 2.00 0.00 0.00 35.95 38.97 1k9x h PHE 349 CO 1.33 1.27 0.21 0.42 -0.18 0.00 0.00 178.31 181.37 1k9x s ILE 350 N -3.35 4.87 0.17 -0.55 1.01 -1.26 -4.83 121.20 117.26 1k9x s ILE 350 Ca -0.08 0.80 -0.21 0.00 0.00 0.00 0.00 60.65 61.16 1k9x s ILE 350 Cb 0.08 -4.08 0.09 0.00 0.01 0.00 0.00 42.46 38.57 1k9x s ILE 350 CO 0.89 -0.26 1.61 -0.09 0.00 0.00 0.00 174.94 177.10 1k9x h ARG 351 N 8.32 -0.18 0.00 2.79 2.43 -1.95 0.14 114.38 125.93 1k9x h ARG 351 Ca -0.26 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1k9x h ARG 351 Cb 1.11 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1k9x h ARG 351 CO 0.84 -0.12 0.00 0.25 -1.51 0.00 0.00 179.97 179.43 1k9x n THR 352 N -5.41 1.72 -0.01 0.20 -2.24 -1.26 -1.22 114.28 106.05 1k9x n THR 352 Ca 0.02 0.46 0.06 0.00 -2.27 0.00 0.00 64.05 62.33 1k9x n THR 352 Cb 0.32 -1.41 -0.15 0.00 -2.10 0.00 0.00 70.33 66.99 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 -1.57 0.66 -1.59 -0.78 4.07 0.45 -5.01 120.64 116.86 1k9x n GLU 353 Ca 0.01 -0.11 -0.46 0.00 -0.06 0.00 0.00 57.16 56.54 1k9x n GLU 353 Cb 0.04 -1.57 -0.02 0.00 -0.06 0.00 0.00 31.44 29.83 1k9x n GLU 353 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1k9x n ALA 354 N -2.35 -0.26 -1.41 4.31 0.00 -0.36 -5.01 120.51 115.43 1k9x n ALA 354 Ca -0.10 0.42 -0.30 0.00 0.00 0.00 0.00 53.44 53.46 1k9x n ALA 354 Cb 0.70 -2.05 0.21 0.00 0.00 0.00 0.00 19.45 18.30 1k9x n ALA 354 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1k9x s ASP 355 N -0.29 2.04 0.47 0.00 -4.77 -1.26 -4.71 116.67 108.15 1k9x s ASP 355 Ca 0.64 0.60 0.26 0.00 -3.30 0.00 0.00 52.55 50.74 1k9x s ASP 355 Cb -0.74 -0.85 1.06 0.00 -1.09 0.00 0.00 42.92 41.30 1k9x s ASP 355 CO 0.56 -3.43 1.88 -0.37 0.70 0.00 0.00 175.17 174.52 1k9x h VAL 356 N -2.11 0.51 0.18 2.11 -1.51 -1.95 -0.70 116.25 112.77 1k9x h VAL 356 Ca -0.46 -0.97 -0.32 0.00 -1.23 0.00 0.00 66.70 63.72 1k9x h VAL 356 Cb 1.28 1.67 0.01 0.00 -2.13 0.00 0.00 31.29 32.12 1k9x h VAL 356 CO 0.41 0.18 -1.53 0.58 -1.23 0.00 0.00 177.57 175.98 1k9x h VAL 357 N 0.00 1.19 0.00 7.19 2.07 -1.92 -3.35 116.25 121.43 1k9x h VAL 357 Ca -0.00 -2.74 -0.11 0.00 0.82 0.00 0.00 66.70 64.66 1k9x h VAL 357 Cb 0.65 2.87 -0.02 0.00 -1.52 0.00 0.00 31.29 33.27 1k9x h VAL 357 CO 0.02 0.84 -1.27 0.71 0.02 0.00 0.00 177.57 177.89 1k9x h THR 358 N 0.10 0.34 -0.77 2.57 1.35 -1.92 -3.41 112.91 111.17 1k9x h THR 358 Ca -0.26 -1.67 0.13 0.00 -0.55 0.00 0.00 66.41 64.06 1k9x h THR 358 Cb 2.07 1.86 -0.14 0.00 -1.73 0.00 0.00 68.15 70.22 1k9x h THR 358 CO 0.20 0.19 -0.35 0.22 -0.25 0.00 0.00 175.52 175.54 1k9x h TYR 359 N 0.00 -0.95 -0.02 4.73 3.20 -1.26 -1.62 116.97 121.05 1k9x h TYR 359 Ca -0.11 0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.85 1k9x h TYR 359 Cb 1.39 0.53 -0.00 0.00 1.54 0.00 0.00 36.73 40.19 1k9x h TYR 359 CO 0.00 -0.39 0.02 -0.91 -1.64 0.00 0.00 178.16 175.24 1k9x h ASN 360 N -0.09 0.00 0.41 -2.11 2.35 -1.79 -1.57 115.58 112.78 1k9x h ASN 360 Ca 0.29 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.96 1k9x h ASN 360 Cb 0.57 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 1k9x h ASN 360 CO -0.81 0.00 -0.36 -0.26 -1.65 0.00 0.00 177.43 174.35 1k9x h PHE 361 N 0.00 0.00 -0.14 1.19 -1.00 -1.58 0.28 116.94 115.69 1k9x h PHE 361 Ca 0.01 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 1k9x h PHE 361 Cb 0.04 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 1k9x h PHE 361 CO 0.00 0.36 0.05 0.45 -1.61 0.00 0.00 178.31 177.56 1k9x h HIS 362 N 0.00 0.22 -0.50 -0.55 3.86 -1.33 -1.55 115.15 115.30 1k9x h HIS 362 Ca -0.00 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.12 1k9x h HIS 362 Cb 0.66 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 1k9x h HIS 362 CO 0.00 0.33 0.03 0.82 0.86 0.00 0.00 177.93 179.97 1k9x h ILE 363 N 0.05 1.24 -0.90 2.45 1.08 -1.36 -2.56 117.51 117.51 1k9x h ILE 363 Ca 0.05 -0.97 0.06 0.00 -0.39 0.00 0.00 64.86 63.61 1k9x h ILE 363 Cb 0.21 0.83 -0.06 0.00 -3.07 0.00 0.00 36.82 34.73 1k9x h ILE 363 CO -0.00 0.35 0.59 0.25 -0.69 0.00 0.00 178.15 178.64 1k9x h LEU 364 N 0.76 0.92 -0.36 1.44 5.85 -0.06 -1.06 115.31 122.80 1k9x h LEU 364 Ca 0.15 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 1k9x h LEU 364 Cb 0.42 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1k9x h LEU 364 CO 0.02 0.60 -0.18 0.17 -0.34 0.00 0.00 178.44 178.70 1k9x h LEU 365 N 1.05 0.78 -0.97 2.25 8.10 -0.88 -1.94 115.31 123.69 1k9x h LEU 365 Ca 0.38 -0.41 -0.04 0.00 0.11 0.00 0.00 57.88 57.92 1k9x h LEU 365 Cb 0.16 -0.22 -0.03 0.00 -0.44 0.00 0.00 40.66 40.13 1k9x h LEU 365 CO -0.14 1.02 0.23 0.03 -4.11 0.00 0.00 178.44 175.48 1k9x h ARG 366 N 0.55 0.98 -0.19 0.17 -0.00 -1.25 -2.37 114.38 112.27 1k9x h ARG 366 Ca 0.08 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.98 59.38 1k9x h ARG 366 Cb 0.73 -0.16 -0.01 0.00 0.00 0.00 0.00 29.97 30.53 1k9x h ARG 366 CO 0.05 0.82 0.10 0.35 0.00 0.00 0.00 179.97 181.29 1k9x h PHE 367 N 0.96 0.27 0.05 3.04 3.57 -1.02 -0.22 116.94 123.58 1k9x h PHE 367 Ca 0.22 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.74 1k9x h PHE 367 Cb 0.23 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 1k9x h PHE 367 CO 0.02 0.27 -0.30 0.87 -2.23 0.00 0.00 178.31 176.93 1k9x h LYS 368 N 0.19 -0.46 -0.17 1.11 1.79 -1.08 -1.16 116.57 116.79 1k9x h LYS 368 Ca 0.07 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1k9x h LYS 368 Cb 0.09 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 1k9x h LYS 368 CO -0.01 -0.31 0.08 -0.07 -1.08 0.00 0.00 179.45 178.06 1k9x h LEU 369 N -0.48 0.22 -1.01 2.94 3.38 -1.36 -2.80 115.31 116.21 1k9x h LEU 369 Ca 0.05 -0.13 0.13 0.00 0.09 0.00 0.00 57.88 58.02 1k9x h LEU 369 Cb 0.54 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.15 1k9x h LEU 369 CO -0.22 0.29 0.63 -0.33 0.09 0.00 0.00 178.44 178.90 1k9x h GLU 370 N 0.14 0.93 0.23 1.13 5.08 -0.86 -0.27 114.58 120.96 1k9x h GLU 370 Ca 0.06 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1k9x h GLU 370 Cb 0.13 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1k9x h GLU 370 CO -0.01 0.62 -0.11 -0.09 -1.00 0.00 0.00 179.01 178.42 1k9x h ARG 371 N 0.96 -0.30 -0.90 2.33 2.43 -1.00 -2.04 114.38 115.86 1k9x h ARG 371 Ca 0.51 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.78 1k9x h ARG 371 Cb 0.56 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.12 1k9x h ARG 371 CO -0.29 -0.15 0.58 -0.07 -1.51 0.00 0.00 179.97 178.54 1k9x h LEU 372 N -0.39 0.87 -0.35 3.80 3.38 -1.12 0.32 115.31 121.82 1k9x h LEU 372 Ca -0.03 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1k9x h LEU 372 Cb 0.29 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1k9x h LEU 372 CO 0.05 0.55 0.02 0.24 0.09 0.00 0.00 178.44 179.40 1k9x h MET 373 N 0.99 0.61 0.14 1.13 2.86 -0.81 0.80 114.93 120.64 1k9x h MET 373 Ca 0.39 -0.18 -0.33 0.00 -2.06 0.00 0.00 59.70 57.52 1k9x h MET 373 Cb 0.25 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1k9x h MET 373 CO -0.15 0.71 -1.74 0.28 1.06 0.00 0.00 176.91 177.06 1k9x h VAL 374 N 0.43 0.84 0.00 -2.22 2.07 -1.11 -3.39 116.25 112.86 1k9x h VAL 374 Ca 0.10 -2.40 -0.18 0.00 0.82 0.00 0.00 66.70 65.03 1k9x h VAL 374 Cb 0.42 2.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.79 1k9x h VAL 374 CO 0.01 0.81 -1.06 0.28 0.02 0.00 0.00 177.57 177.64 1k9x h SER 375 N -0.06 0.00 -1.84 0.57 0.02 -0.50 -3.44 113.55 108.31 1k9x h SER 375 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1k9x h SER 375 Cb 1.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.50 1k9x h SER 375 CO 0.10 0.77 0.00 -0.62 -1.14 0.00 0.00 176.83 175.93 1k9x n GLU 376 N -3.17 3.16 -3.18 3.45 -0.58 0.27 -4.96 120.64 115.64 1k9x n GLU 376 Ca -0.04 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.44 1k9x n GLU 376 Cb 0.88 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.69 1k9x n GLU 376 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1k9x n GLU 377 N -0.08 2.50 -3.25 3.49 -0.58 -1.24 -4.66 120.64 116.81 1k9x n GLU 377 Ca 0.00 -4.49 -0.28 0.00 -0.42 0.00 0.00 57.16 51.97 1k9x n GLU 377 Cb 0.00 -2.10 -0.03 0.00 -0.57 0.00 0.00 31.44 28.74 1k9x n GLU 377 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1k9x s ILE 378 N -3.18 5.00 -0.13 -3.67 -1.09 -1.26 -5.09 121.20 111.79 1k9x s ILE 378 Ca 0.43 0.08 -0.04 0.00 -2.23 0.00 0.00 60.65 58.89 1k9x s ILE 378 Cb 0.23 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.32 1k9x s ILE 378 CO -0.08 -0.39 0.02 -0.54 -1.23 0.00 0.00 174.94 172.72 1k9x s LYS 379 N -3.71 3.43 0.43 2.79 -0.14 -1.26 -4.97 119.74 116.31 1k9x s LYS 379 Ca 0.45 -0.39 0.26 0.00 -1.36 0.00 0.00 55.97 54.93 1k9x s LYS 379 Cb -0.11 -2.97 1.31 0.00 -1.68 0.00 0.00 37.83 34.39 1k9x s LYS 379 CO 0.31 0.50 1.69 0.00 -0.76 0.00 0.00 175.35 177.10 1k9x h ALA 380 N 5.86 2.58 0.00 5.17 0.00 -1.93 0.13 119.26 131.07 1k9x h ALA 380 Ca -0.43 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1k9x h ALA 380 Cb 1.19 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1k9x h ALA 380 CO 0.61 -1.10 -0.01 1.57 0.00 0.00 0.00 179.25 180.32 1k9x h LYS 381 N 0.20 0.00 0.00 0.00 2.10 -1.94 -2.31 116.57 114.62 1k9x h LYS 381 Ca 0.71 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.36 1k9x h LYS 381 Cb 2.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.47 1k9x h LYS 381 CO -0.33 0.01 -0.66 -0.25 -2.00 0.00 0.00 179.45 176.22 1k9x n ASP 382 N -4.12 0.68 0.26 7.07 8.00 0.46 -4.47 116.55 124.43 1k9x n ASP 382 Ca -0.03 0.08 -0.16 0.00 0.71 0.00 0.00 54.79 55.39 1k9x n ASP 382 Cb 0.09 0.22 -0.08 0.00 -0.02 0.00 0.00 41.12 41.33 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 -0.51 -1.22 0.64 3.38 -1.44 -2.83 115.31 113.33 1k9x h LEU 383 Ca 0.00 0.02 0.30 0.00 0.09 0.00 0.00 57.88 58.29 1k9x h LEU 383 Cb 0.73 0.13 -0.12 0.00 0.09 0.00 0.00 40.66 41.50 1k9x h LEU 383 CO 0.00 -0.37 0.66 1.55 0.09 0.00 0.00 178.44 180.38 1k9x h PRO 384 N -0.61 0.36 0.00 1.13 0.13 -1.78 0.24 132.00 131.47 1k9x h PRO 384 Ca -0.06 -0.02 -0.21 0.00 -0.87 0.00 0.00 66.00 64.84 1k9x h PRO 384 Cb 0.46 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 1k9x h PRO 384 CO 0.10 0.24 -0.91 0.93 -0.23 0.00 0.00 178.00 178.13 1k9x h GLU 385 N 0.37 0.27 -0.29 0.86 4.39 -1.83 -2.69 114.58 115.65 1k9x h GLU 385 Ca 0.67 -0.30 -0.05 0.00 0.34 0.00 0.00 59.36 60.03 1k9x h GLU 385 Cb 1.66 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.39 1k9x h GLU 385 CO -0.42 1.01 -0.00 0.52 -1.16 0.00 0.00 179.01 178.96 1k9x h MET 386 N 0.15 0.52 -0.29 2.33 2.86 -0.40 -2.01 114.93 118.09 1k9x h MET 386 Ca -0.06 -0.17 0.07 0.00 -2.06 0.00 0.00 59.70 57.48 1k9x h MET 386 Cb 1.54 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 33.08 1k9x h MET 386 CO 0.15 0.67 -0.18 2.35 1.06 0.00 0.00 176.91 180.95 1k9x h TRP 387 N 0.31 -0.47 -0.00 -0.22 2.91 -0.88 -1.04 115.95 116.57 1k9x h TRP 387 Ca 0.08 0.04 -0.05 0.00 1.13 0.00 0.00 58.89 60.09 1k9x h TRP 387 Cb 0.44 0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 29.33 1k9x h TRP 387 CO 0.04 -0.26 -0.23 -0.91 -1.03 0.00 0.00 178.44 176.05 1k9x h ASN 388 N -0.16 0.00 -0.06 2.65 2.35 -1.35 -0.57 115.58 118.45 1k9x h ASN 388 Ca 0.15 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.85 1k9x h ASN 388 Cb 0.39 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1k9x h ASN 388 CO -0.38 0.23 -0.15 0.44 -1.65 0.00 0.00 177.43 175.92 1k9x h ASP 389 N 0.00 0.24 -0.91 5.81 3.32 -0.56 -1.71 116.42 122.62 1k9x h ASP 389 Ca -0.00 -0.59 0.01 0.00 0.02 0.00 0.00 57.03 56.47 1k9x h ASP 389 Cb 0.41 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.84 1k9x h ASP 389 CO 0.03 0.79 0.60 -0.33 -1.72 0.00 0.00 179.24 178.61 1k9x h GLU 390 N -0.30 1.19 -0.25 3.56 4.39 -1.04 0.22 114.58 122.35 1k9x h GLU 390 Ca -0.00 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1k9x h GLU 390 Cb 0.76 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1k9x h GLU 390 CO 0.03 0.78 0.15 1.98 -1.16 0.00 0.00 179.01 180.79 1k9x h MET 391 N 1.22 0.34 -0.49 2.33 4.05 -1.08 0.52 114.93 121.83 1k9x h MET 391 Ca 0.33 -0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.64 1k9x h MET 391 Cb -0.13 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.58 1k9x h MET 391 CO -0.08 0.28 -0.00 1.49 0.23 0.00 0.00 176.91 178.83 1k9x h GLU 392 N 0.30 0.87 -0.33 0.39 4.81 -0.62 0.75 114.58 120.75 1k9x h GLU 392 Ca 0.09 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 1k9x h GLU 392 Cb 0.03 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1k9x h GLU 392 CO -0.02 0.91 0.05 -0.09 -0.73 0.00 0.00 179.01 179.13 1k9x h ARG 393 N 0.73 0.49 0.04 1.92 2.43 -0.24 0.84 114.38 120.59 1k9x h ARG 393 Ca 0.14 -0.08 -0.36 0.00 -0.81 0.00 0.00 59.98 58.87 1k9x h ARG 393 Cb 0.52 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 1k9x h ARG 393 CO 0.03 0.47 -2.01 1.28 -1.51 0.00 0.00 179.97 178.23 1k9x n LEU 394 N -4.33 2.34 -0.45 3.80 4.77 0.15 -4.64 117.00 118.64 1k9x n LEU 394 Ca 0.02 0.23 0.07 0.00 -0.03 0.00 0.00 56.01 56.29 1k9x n LEU 394 Cb 0.20 -0.97 0.03 0.00 -2.33 0.00 0.00 43.42 40.35 1k9x n LEU 394 CO 0.38 0.65 0.38 0.18 -1.33 0.00 0.00 177.39 177.64 1k9x n LEU 395 N -3.88 1.86 -0.91 2.23 4.77 0.24 -5.00 117.00 116.32 1k9x n LEU 395 Ca -0.40 -0.91 -0.10 0.00 -0.03 0.00 0.00 56.01 54.57 1k9x n LEU 395 Cb 0.90 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.96 1k9x n LEU 395 CO 0.24 0.35 -0.11 0.61 -1.33 0.00 0.00 177.39 177.15 1k9x n GLY 396 N 0.86 0.68 2.97 -0.72 0.00 0.29 -4.90 105.19 104.36 1k9x n GLY 396 Ca 0.07 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.42 0.21 -0.14 -0.61 -4.36 -1.25 -4.96 121.20 107.68 1k9x s ILE 397 Ca 0.00 -0.61 0.02 0.00 -0.26 0.00 0.00 60.65 59.80 1k9x s ILE 397 Cb 0.00 -0.28 0.00 0.00 1.25 0.00 0.00 42.46 43.43 1k9x s ILE 397 CO 0.00 -0.26 -0.20 -0.60 0.24 0.00 0.00 174.94 174.12 1k9x s ARG 398 N -0.92 3.09 0.31 0.37 3.52 -1.26 -1.93 118.95 122.13 1k9x s ARG 398 Ca -0.08 -0.82 -0.30 0.00 -0.13 0.00 0.00 55.73 54.40 1k9x s ARG 398 Cb -0.06 -2.47 -0.12 0.00 -1.56 0.00 0.00 34.95 30.74 1k9x s ARG 398 CO -0.00 0.04 1.54 -2.30 -0.81 0.00 0.00 175.30 173.77 1k9x n PRO 399 N 3.94 2.61 0.00 5.12 -0.02 -1.26 -4.89 135.00 140.49 1k9x n PRO 399 Ca -0.19 0.92 0.08 0.00 -2.02 0.00 0.00 63.50 62.29 1k9x n PRO 399 Cb 0.52 -2.67 0.04 0.00 -0.02 0.00 0.00 33.50 31.36 1k9x n PRO 399 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1k9x n ARG 400 N 1.72 1.51 -3.85 -0.52 1.85 -1.26 -4.96 116.66 111.15 1k9x n ARG 400 Ca 0.07 -1.17 -0.12 0.00 -1.00 0.00 0.00 57.85 55.64 1k9x n ARG 400 Cb 0.37 -1.30 -0.11 0.00 -1.05 0.00 0.00 32.46 30.36 1k9x n ARG 400 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1k9x s LYS 401 N -1.63 0.29 0.42 2.89 1.02 -1.26 -5.04 119.74 116.43 1k9x s LYS 401 Ca 0.17 -0.09 0.13 0.00 0.02 0.00 0.00 55.97 56.20 1k9x s LYS 401 Cb 0.13 0.13 1.00 0.00 -0.52 0.00 0.00 37.83 38.57 1k9x s LYS 401 CO 0.30 -0.06 1.95 1.88 -0.92 0.00 0.00 175.35 178.50 1k9x h TYR 402 N 5.21 0.50 0.00 3.18 0.99 -1.92 0.26 116.97 125.18 1k9x h TYR 402 Ca -0.28 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.47 1k9x h TYR 402 Cb 1.20 -0.16 0.00 0.00 1.00 0.00 0.00 36.73 38.77 1k9x h TYR 402 CO 0.50 0.22 0.00 -1.13 -0.00 0.00 0.00 178.16 177.75 1k9x n SER 403 N -4.48 0.36 0.00 3.88 3.41 -1.26 -1.52 113.62 114.01 1k9x n SER 403 Ca 0.12 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.42 1k9x n SER 403 Cb 0.42 -0.66 -0.02 0.00 -0.26 0.00 0.00 64.21 63.68 1k9x n SER 403 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1k9x n GLU 404 N -1.89 0.11 0.00 4.33 1.02 0.88 -4.31 120.64 120.78 1k9x n GLU 404 Ca 0.03 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1k9x n GLU 404 Cb 0.20 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 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 1.45 2.10 0.32 0.62 0.00 -0.64 -4.67 105.19 104.38 1k9x n GLY 405 Ca 0.03 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.61 -0.61 2.10 -1.88 -1.69 117.51 114.82 1k9x h ILE 406 Ca 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.90 1k9x h ILE 406 Cb 0.00 0.43 -0.03 0.00 -1.09 0.00 0.00 36.82 36.13 1k9x h ILE 406 CO 0.00 0.00 0.05 0.18 -1.08 0.00 0.00 178.15 177.30 1k9x n LEU 407 N -2.70 5.85 0.35 2.19 4.32 -0.57 -4.57 117.00 121.87 1k9x n LEU 407 Ca -0.01 -2.99 -0.15 0.00 -0.02 0.00 0.00 56.01 52.84 1k9x n LEU 407 Cb 0.58 -0.70 -0.07 0.00 -1.62 0.00 0.00 43.42 41.61 1k9x n LEU 407 CO 0.09 0.66 0.39 1.56 -1.22 0.00 0.00 177.39 178.87 1k9x h GLN 408 N 3.77 -0.89 -5.84 3.23 4.20 -1.49 -3.45 115.11 114.65 1k9x h GLN 408 Ca 0.05 0.06 -0.65 0.00 0.06 0.00 0.00 58.65 58.17 1k9x h GLN 408 Cb 2.07 0.20 -0.08 0.00 0.30 0.00 0.00 27.48 29.97 1k9x h GLN 408 CO 0.55 -0.58 -0.52 -0.51 -0.67 0.00 0.00 178.83 177.09 1k9x s ASP 409 N -4.50 6.08 0.06 1.46 -0.00 -1.26 -5.02 116.67 113.49 1k9x s ASP 409 Ca -0.14 0.30 0.26 0.00 -0.00 0.00 0.00 52.55 52.97 1k9x s ASP 409 Cb 0.01 -1.87 0.71 0.00 -0.00 0.00 0.00 42.92 41.78 1k9x s ASP 409 CO 0.43 0.31 1.59 -0.38 -0.00 0.00 0.00 175.17 177.11 1k9x n ILE 410 N 1.37 0.18 -0.24 0.77 5.41 -1.26 -4.49 119.36 121.10 1k9x n ILE 410 Ca -0.14 -0.11 -0.04 0.00 1.00 0.00 0.00 62.75 63.45 1k9x n ILE 410 Cb 0.53 -0.18 -0.03 0.00 -0.71 0.00 0.00 39.64 39.26 1k9x n ILE 410 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1k9x n HIS 411 N -1.77 -0.17 0.23 1.39 8.25 -1.26 0.18 115.22 122.08 1k9x n HIS 411 Ca 0.05 0.72 0.07 0.00 -0.26 0.00 0.00 57.72 58.31 1k9x n HIS 411 Cb 0.38 -0.60 0.61 0.00 1.12 0.00 0.00 29.99 31.49 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 0.06 0.00 4.41 6.55 -1.79 -0.06 115.95 125.12 1k9x h TRP 412 Ca 0.13 0.00 -0.08 0.00 0.95 0.00 0.00 58.89 59.89 1k9x h TRP 412 Cb 0.27 -0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 28.54 1k9x h TRP 412 CO -0.57 0.05 -0.39 0.00 -1.05 0.00 0.00 178.44 176.48 1k9x h ALA 413 N 1.96 1.14 -0.07 1.49 0.00 0.17 -1.00 119.26 122.95 1k9x h ALA 413 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1k9x h ALA 413 Cb 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1k9x h ALA 413 CO -0.00 0.49 0.00 0.72 0.00 0.00 0.00 179.25 180.46 1k9x n HIS 414 N -3.76 0.08 -1.03 0.00 8.25 -0.16 -4.05 115.22 114.55 1k9x n HIS 414 Ca -0.01 -0.04 -0.01 0.00 -0.26 0.00 0.00 57.72 57.40 1k9x n HIS 414 Cb 0.47 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.57 1k9x n HIS 414 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k9x n GLY 415 N 1.05 0.50 3.56 -1.41 0.00 -0.38 -4.95 105.19 103.56 1k9x n GLY 415 Ca 0.17 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.35 6.86 -0.17 1.61 0.01 -0.49 -4.96 113.70 114.21 1k9x s SER 416 Ca 0.00 -2.49 -0.06 0.00 1.31 0.00 0.00 55.95 54.70 1k9x s SER 416 Cb 0.00 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 1k9x s SER 416 CO 0.00 -1.11 0.05 -0.63 0.41 0.00 0.00 173.24 171.96 1k9x s ILE 417 N 3.79 4.68 0.00 1.44 -1.09 -1.26 -4.24 121.20 124.52 1k9x s ILE 417 Ca 0.51 -0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.86 1k9x s ILE 417 Cb 0.03 -3.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.82 1k9x s ILE 417 CO 0.06 0.49 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 1k9x n GLY 418 N 3.30 0.58 0.08 6.18 0.00 -1.26 -4.72 105.19 109.35 1k9x n GLY 418 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 1k9x n GLY 418 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1k9x h TYR 419 N 0.00 0.08 -0.97 1.61 3.20 -1.85 -3.40 116.97 115.64 1k9x h TYR 419 Ca 0.00 -0.06 0.24 0.00 3.14 0.00 0.00 58.73 62.06 1k9x h TYR 419 Cb 0.00 -0.00 -0.18 0.00 1.54 0.00 0.00 36.73 38.08 1k9x h TYR 419 CO 0.00 1.02 -0.06 1.19 -1.64 0.00 0.00 178.16 178.67 1k9x n PHE 420 N -4.55 0.53 0.09 -3.82 0.99 -1.26 -1.35 117.46 108.09 1k9x n PHE 420 Ca -0.10 1.17 0.04 0.00 -0.00 0.00 0.00 57.45 58.56 1k9x n PHE 420 Cb 0.52 -1.18 0.21 0.00 -1.00 0.00 0.00 39.48 38.04 1k9x n PHE 420 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1k9x n PRO 421 N -5.48 0.05 0.22 -1.08 -0.04 -1.26 -1.40 135.00 126.01 1k9x n PRO 421 Ca 0.21 0.53 0.07 0.00 -0.04 0.00 0.00 63.50 64.27 1k9x n PRO 421 Cb 0.67 -1.66 0.52 0.00 -0.04 0.00 0.00 33.50 32.99 1k9x n PRO 421 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1k9x h THR 422 N 0.00 0.93 -0.48 0.52 1.35 -1.50 -2.17 112.91 111.56 1k9x h THR 422 Ca 0.00 -0.90 -0.06 0.00 -0.55 0.00 0.00 66.41 64.90 1k9x h THR 422 Cb 0.02 1.52 -0.02 0.00 -1.73 0.00 0.00 68.15 67.95 1k9x h THR 422 CO 0.00 0.24 0.07 1.88 -0.25 0.00 0.00 175.52 177.46 1k9x h TYR 423 N 0.00 0.86 -0.07 4.73 -1.99 -1.44 -2.05 116.97 117.00 1k9x h TYR 423 Ca -0.00 -0.12 -0.12 0.00 2.00 0.00 0.00 58.73 60.49 1k9x h TYR 423 Cb 0.50 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.99 1k9x h TYR 423 CO 0.00 0.79 -0.48 1.15 -0.00 0.00 0.00 178.16 179.62 1k9x h THR 424 N 0.67 1.34 -0.40 -2.88 2.02 -1.62 -2.26 112.91 109.78 1k9x h THR 424 Ca 0.15 -1.68 0.01 0.00 0.77 0.00 0.00 66.41 65.66 1k9x h THR 424 Cb 0.40 1.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 1k9x h THR 424 CO 0.01 0.50 0.24 0.40 0.37 0.00 0.00 175.52 177.04 1k9x h ILE 425 N 0.15 1.06 -0.55 3.11 2.04 -1.10 -0.54 117.51 121.67 1k9x h ILE 425 Ca 0.01 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1k9x h ILE 425 Cb 0.90 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1k9x h ILE 425 CO 0.07 0.09 0.31 1.23 0.00 0.00 0.00 178.15 179.85 1k9x h GLY 426 N 0.50 0.82 0.76 5.37 0.00 -1.03 -1.36 103.07 108.12 1k9x h GLY 426 Ca 0.16 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1k9x h GLY 426 CO -0.06 0.35 -0.20 -0.84 0.00 0.00 0.00 176.54 175.79 1k9x h THR 427 N 0.74 0.56 -0.48 4.70 2.02 -0.97 -1.26 112.91 118.23 1k9x h THR 427 Ca 0.19 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.34 1k9x h THR 427 Cb 0.04 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1k9x h THR 427 CO -0.03 0.00 0.15 -0.07 0.37 0.00 0.00 175.52 175.94 1k9x h LEU 428 N -0.44 0.69 -1.54 2.58 3.38 -1.03 -2.65 115.31 116.31 1k9x h LEU 428 Ca -0.00 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 1k9x h LEU 428 Cb 0.41 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1k9x h LEU 428 CO -0.05 0.71 -0.20 -0.07 0.09 0.00 0.00 178.44 178.92 1k9x h LEU 429 N 0.63 0.04 0.03 1.67 4.07 -1.21 -1.62 115.31 118.91 1k9x h LEU 429 Ca 0.15 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 1k9x h LEU 429 Cb 0.26 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1k9x h LEU 429 CO -0.01 0.24 -0.01 0.77 -1.08 0.00 0.00 178.44 178.36 1k9x h SER 430 N 0.04 -0.03 -0.74 -0.43 4.64 -0.86 0.05 113.55 116.22 1k9x h SER 430 Ca 0.01 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 1k9x h SER 430 Cb 0.38 0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.45 1k9x h SER 430 CO 0.03 0.16 0.42 0.00 -0.87 0.00 0.00 176.83 176.56 1k9x h ALA 431 N 0.75 0.95 -0.66 5.18 0.00 -1.43 -1.23 119.26 122.81 1k9x h ALA 431 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1k9x h ALA 431 Cb 0.20 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1k9x h ALA 431 CO 0.01 0.45 0.31 0.37 0.00 0.00 0.00 179.25 180.39 1k9x h GLN 432 N 1.02 0.94 -0.07 0.00 4.15 -1.03 -1.34 115.11 118.78 1k9x h GLN 432 Ca 0.26 -0.13 -0.15 0.00 0.77 0.00 0.00 58.65 59.41 1k9x h GLN 432 Cb 0.02 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 1k9x h GLN 432 CO -0.04 0.73 -0.61 -0.07 -1.93 0.00 0.00 178.83 176.91 1k9x h LEU 433 N 0.94 0.29 0.03 -2.39 3.38 -0.65 -3.05 115.31 113.86 1k9x h LEU 433 Ca 0.23 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1k9x h LEU 433 Cb 0.10 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1k9x h LEU 433 CO -0.03 0.83 -0.34 0.22 0.09 0.00 0.00 178.44 179.21 1k9x h TYR 434 N 0.19 -0.93 0.00 1.13 3.20 -0.08 0.11 116.97 120.58 1k9x h TYR 434 Ca -0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 1k9x h TYR 434 Cb 1.12 0.41 -0.00 0.00 1.54 0.00 0.00 36.73 39.80 1k9x h TYR 434 CO 0.02 -0.43 -0.01 1.88 -1.64 0.00 0.00 178.16 177.98 1k9x h TYR 435 N -0.51 0.00 0.14 -3.82 -1.99 -1.48 -1.21 116.97 108.10 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 0.58 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.32 1k9x h TYR 435 CO -0.34 0.01 -1.23 0.45 -0.00 0.00 0.00 178.16 177.05 1k9x h HIS 436 N 0.00 0.54 0.00 4.88 3.86 -1.14 -3.24 115.15 120.05 1k9x h HIS 436 Ca -0.00 -0.39 -0.08 0.00 -1.16 0.00 0.00 60.37 58.74 1k9x h HIS 436 Cb 0.33 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 1k9x h HIS 436 CO 0.00 1.48 -0.38 0.97 0.86 0.00 0.00 177.93 180.86 1k9x h ILE 437 N -0.27 1.25 -0.15 2.45 2.10 -0.71 -2.57 117.51 119.60 1k9x h ILE 437 Ca -0.25 -1.30 0.04 0.00 1.08 0.00 0.00 64.86 64.44 1k9x h ILE 437 Cb 1.77 1.70 -0.01 0.00 -1.09 0.00 0.00 36.82 39.20 1k9x h ILE 437 CO 0.11 0.37 0.11 0.11 -1.08 0.00 0.00 178.15 177.77 1k9x h LYS 438 N 0.00 0.01 0.00 2.19 1.79 -1.29 0.30 116.57 119.57 1k9x h LYS 438 Ca -0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1k9x h LYS 438 Cb 0.67 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1k9x h LYS 438 CO 0.05 0.00 -0.23 1.57 -1.08 0.00 0.00 179.45 179.77 1k9x h LYS 439 N 0.01 0.00 0.00 3.15 2.10 -1.48 -1.57 116.57 118.78 1k9x h LYS 439 Ca 0.07 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.57 1k9x h LYS 439 Cb 0.28 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.58 1k9x h LYS 439 CO -0.00 0.00 -2.12 -0.25 -2.00 0.00 0.00 179.45 175.08 1k9x n ASP 440 N -2.24 0.05 -3.35 7.07 8.00 -0.57 -4.63 116.55 120.87 1k9x n ASP 440 Ca 0.05 0.02 -0.26 0.00 0.71 0.00 0.00 54.79 55.31 1k9x n ASP 440 Cb 0.44 1.50 -0.08 0.00 -0.02 0.00 0.00 41.12 42.96 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 -2.49 0.14 0.27 0.53 5.41 0.94 -4.98 119.36 119.18 1k9x n ILE 441 Ca -0.16 -4.26 0.18 0.00 1.00 0.00 0.00 62.75 59.51 1k9x n ILE 441 Cb 0.82 -1.95 0.91 0.00 -0.71 0.00 0.00 39.64 38.71 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 4.49 0.00 -0.85 0.38 0.13 -1.52 -1.11 132.00 133.53 1k9x h PRO 442 Ca 0.15 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.72 1k9x h PRO 442 Cb 0.82 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.65 1k9x h PRO 442 CO 0.56 0.00 0.30 -0.40 -0.23 0.00 0.00 178.00 178.23 1k9x n ASP 443 N -3.31 5.77 -0.22 1.44 5.75 -1.26 -4.71 116.55 120.01 1k9x n ASP 443 Ca -0.00 -3.76 0.02 0.00 -0.01 0.00 0.00 54.79 51.04 1k9x n ASP 443 Cb 0.30 -0.76 0.12 0.00 -1.03 0.00 0.00 41.12 39.76 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 1.77 0.02 -0.94 2.11 3.57 -1.54 -1.05 116.94 120.87 1k9x h PHE 444 Ca 0.50 0.05 0.02 0.00 3.53 0.00 0.00 57.97 62.07 1k9x h PHE 444 Cb 1.38 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 40.17 1k9x h PHE 444 CO 1.27 -0.16 0.62 0.93 -2.23 0.00 0.00 178.31 178.74 1k9x h GLU 445 N 0.14 1.20 -0.80 1.11 3.07 -1.86 -2.12 114.58 115.32 1k9x h GLU 445 Ca 0.35 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 59.09 1k9x h GLU 445 Cb 0.58 -0.27 -0.04 0.00 -0.84 0.00 0.00 28.75 28.18 1k9x h GLU 445 CO -0.54 0.79 0.32 1.49 -1.40 0.00 0.00 179.01 179.68 1k9x h GLU 446 N 1.23 1.20 -0.66 2.33 4.57 -1.59 -1.70 114.58 119.97 1k9x h GLU 446 Ca 0.36 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1k9x h GLU 446 Cb -0.07 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.29 1k9x h GLU 446 CO -0.09 0.97 0.42 0.87 -1.18 0.00 0.00 179.01 179.99 1k9x h LYS 447 N 1.17 0.87 -0.64 1.92 1.79 -0.81 -1.52 116.57 119.35 1k9x h LYS 447 Ca 0.27 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.59 1k9x h LYS 447 Cb 0.21 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 1k9x h LYS 447 CO -0.02 0.59 0.08 0.28 -1.08 0.00 0.00 179.45 179.30 1k9x h VAL 448 N 0.89 1.26 -0.59 0.50 2.07 -0.99 0.20 116.25 119.59 1k9x h VAL 448 Ca 0.24 -1.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 1k9x h VAL 448 Cb -0.08 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1k9x h VAL 448 CO -0.05 0.39 0.22 0.00 0.02 0.00 0.00 177.57 178.16 1k9x h ALA 449 N 1.03 1.28 -0.55 1.67 0.00 -0.94 -2.56 119.26 119.19 1k9x h ALA 449 Ca 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1k9x h ALA 449 Cb 0.47 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1k9x h ALA 449 CO 0.02 0.53 0.00 1.63 0.00 0.00 0.00 179.25 181.43 1k9x n LYS 450 N -4.31 2.30 -2.00 0.00 4.76 -0.61 -4.65 118.16 113.66 1k9x n LYS 450 Ca 0.05 -2.02 -0.18 0.00 -2.87 0.00 0.00 58.31 53.29 1k9x n LYS 450 Cb 0.18 -1.44 -0.04 0.00 -1.84 0.00 0.00 35.03 31.88 1k9x n LYS 450 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1k9x n ALA 451 N 1.15 -0.49 -2.41 7.82 0.00 -0.45 -4.88 120.51 121.26 1k9x n ALA 451 Ca 0.19 0.22 -0.43 0.00 0.00 0.00 0.00 53.44 53.42 1k9x n ALA 451 Cb 0.48 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1k9x n ALA 451 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1k9x n GLU 452 N -2.60 3.50 0.13 0.00 2.13 0.58 -4.74 120.64 119.65 1k9x n GLU 452 Ca -0.20 -3.51 0.12 0.00 0.66 0.00 0.00 57.16 54.24 1k9x n GLU 452 Cb 0.63 -3.00 0.21 0.00 0.27 0.00 0.00 31.44 29.56 1k9x n GLU 452 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 1k9x h PHE 453 N 6.09 0.00 -0.63 4.31 -1.00 -1.86 -3.39 116.94 120.46 1k9x h PHE 453 Ca 0.40 0.00 0.13 0.00 2.81 0.00 0.00 57.97 61.31 1k9x h PHE 453 Cb 0.68 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 40.13 1k9x h PHE 453 CO 1.24 0.00 -0.11 -0.44 -1.61 0.00 0.00 178.31 177.39 1k9x h ASP 454 N 0.00 -0.49 0.44 2.17 3.32 -1.92 0.06 116.42 119.99 1k9x h ASP 454 Ca 0.00 0.18 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 1k9x h ASP 454 Cb 0.87 0.36 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1k9x h ASP 454 CO 0.00 -0.18 -0.27 1.55 -1.72 0.00 0.00 179.24 178.62 1k9x h PRO 455 N 0.03 0.00 -0.09 3.56 0.13 -1.99 -0.92 132.00 132.72 1k9x h PRO 455 Ca 0.31 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.29 1k9x h PRO 455 Cb 0.49 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.63 1k9x h PRO 455 CO -0.62 0.27 -0.53 0.82 -0.23 0.00 0.00 178.00 177.71 1k9x h ILE 456 N 0.00 1.37 -0.52 -3.56 2.04 -1.31 -2.42 117.51 113.12 1k9x h ILE 456 Ca -0.00 -1.87 -0.07 0.00 1.00 0.00 0.00 64.86 63.92 1k9x h ILE 456 Cb 0.56 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 1k9x h ILE 456 CO 0.03 0.56 0.06 0.11 0.00 0.00 0.00 178.15 178.91 1k9x h LYS 457 N 0.10 0.84 0.00 2.37 1.57 -0.87 -2.17 116.57 118.41 1k9x h LYS 457 Ca -0.04 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.42 1k9x h LYS 457 Cb 1.18 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 1k9x h LYS 457 CO 0.11 0.80 -0.53 0.00 -0.57 0.00 0.00 179.45 179.26 1k9x h ALA 458 N 1.27 0.89 -0.10 3.86 0.00 -1.22 -0.51 119.26 123.45 1k9x h ALA 458 Ca 0.16 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1k9x h ALA 458 Cb 0.39 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1k9x h ALA 458 CO 0.01 0.66 -0.10 2.35 0.00 0.00 0.00 179.25 182.17 1k9x h TRP 459 N 0.00 0.30 -0.90 0.00 7.01 -1.03 -1.04 115.95 120.30 1k9x h TRP 459 Ca -0.01 -0.09 0.01 0.00 2.11 0.00 0.00 58.89 60.91 1k9x h TRP 459 Cb 1.10 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 28.05 1k9x h TRP 459 CO 0.00 0.67 0.58 -0.07 -2.79 0.00 0.00 178.44 176.84 1k9x h LEU 460 N -0.15 1.04 -0.52 0.65 -0.00 -1.31 -0.41 115.31 114.61 1k9x h LEU 460 Ca 0.02 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 57.84 1k9x h LEU 460 Cb 0.62 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 41.00 1k9x h LEU 460 CO 0.03 0.76 0.23 -0.09 -0.00 0.00 0.00 178.44 179.38 1k9x h ARG 461 N 1.22 0.75 0.00 1.13 2.43 -0.93 0.14 114.38 119.13 1k9x h ARG 461 Ca 0.33 -0.12 -0.19 0.00 -0.81 0.00 0.00 59.98 59.18 1k9x h ARG 461 Cb -0.12 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.27 1k9x h ARG 461 CO -0.07 0.64 -0.92 1.49 -1.51 0.00 0.00 179.97 179.60 1k9x h GLU 462 N 0.69 0.01 0.13 0.20 4.22 -0.78 -1.30 114.58 117.76 1k9x h GLU 462 Ca 0.18 -0.02 -0.26 0.00 0.08 0.00 0.00 59.36 59.33 1k9x h GLU 462 Cb 0.14 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1k9x h GLU 462 CO -0.02 0.92 -1.31 0.87 -2.18 0.00 0.00 179.01 177.30 1k9x h LYS 463 N 0.01 0.27 0.00 1.92 1.79 -1.03 -3.46 116.57 116.06 1k9x h LYS 463 Ca -0.01 -0.46 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1k9x h LYS 463 Cb 1.62 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 32.45 1k9x h LYS 463 CO 0.12 1.22 -0.03 -0.89 -1.08 0.00 0.00 179.45 178.79 1k9x n ILE 464 N -3.95 0.18 -0.25 1.86 2.08 0.46 -4.43 119.36 115.30 1k9x n ILE 464 Ca -0.22 0.15 0.05 0.00 0.56 0.00 0.00 62.75 63.28 1k9x n ILE 464 Cb 0.90 -1.21 0.15 0.00 -0.75 0.00 0.00 39.64 38.72 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 -0.03 -0.04 -0.07 1.39 3.86 -1.51 -2.67 115.15 116.07 1k9x h HIS 465 Ca 0.00 0.05 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1k9x h HIS 465 Cb 0.03 0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.63 1k9x h HIS 465 CO -0.01 -0.23 0.08 0.07 0.86 0.00 0.00 177.93 178.70 1k9x h ARG 466 N 0.11 0.00 -0.00 2.45 0.11 -1.33 -2.01 114.38 113.71 1k9x h ARG 466 Ca 0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.48 1k9x h ARG 466 Cb 0.70 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.78 1k9x h ARG 466 CO -0.64 0.00 -0.01 0.91 0.10 0.00 0.00 179.97 180.33 1k9x n TRP 467 N -3.85 0.00 0.00 4.08 7.02 -1.01 -4.26 117.44 119.43 1k9x n TRP 467 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 1k9x n TRP 467 Cb 0.18 -0.41 0.00 0.00 -2.42 0.00 0.00 31.31 28.66 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 1.41 2.91 1.07 6.99 0.00 -0.76 -1.36 105.19 115.45 1k9x n GLY 468 Ca 0.10 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.31 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 3.29 4.18 -0.29 1.61 7.64 0.17 -4.04 113.62 126.18 1k9x n SER 469 Ca 0.00 -2.93 0.02 0.00 1.01 0.00 0.00 58.87 56.97 1k9x n SER 469 Cb 0.00 -0.55 0.15 0.00 -1.01 0.00 0.00 64.21 62.80 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 2.26 0.95 -3.78 0.44 2.04 -1.39 -3.43 117.51 114.61 1k9x h ILE 470 Ca 0.00 -0.29 -0.68 0.00 1.00 0.00 0.00 64.86 64.89 1k9x h ILE 470 Cb 1.50 0.04 -0.19 0.00 -0.74 0.00 0.00 36.82 37.43 1k9x h ILE 470 CO 0.26 0.15 -0.80 -0.31 0.00 0.00 0.00 178.15 177.45 1k9x s TYR 471 N -6.04 2.55 0.79 1.37 1.51 -1.26 -4.64 117.35 111.62 1k9x s TYR 471 Ca -0.12 -0.26 -0.11 0.00 -1.01 0.00 0.00 57.07 55.57 1k9x s TYR 471 Cb 0.19 -1.38 0.07 0.00 -0.11 0.00 0.00 41.96 40.73 1k9x s TYR 471 CO 0.78 0.35 1.11 -2.14 -1.11 0.00 0.00 175.55 174.55 1k9x s PRO 472 N -1.96 1.99 0.26 -1.71 0.02 -1.26 -4.57 135.00 127.76 1k9x s PRO 472 Ca 0.17 1.32 -0.09 0.00 0.02 0.00 0.00 61.00 62.42 1k9x s PRO 472 Cb -0.11 -1.86 0.42 0.00 0.02 0.00 0.00 34.50 32.98 1k9x s PRO 472 CO 0.09 -1.86 1.59 -1.35 -0.33 0.00 0.00 177.00 175.14 1k9x h PRO 473 N -1.16 0.01 -0.32 5.54 0.11 -1.92 0.27 132.00 134.54 1k9x h PRO 473 Ca -0.44 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 1k9x h PRO 473 Cb 1.25 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1k9x h PRO 473 CO 0.49 0.01 0.00 0.87 -0.21 0.00 0.00 178.00 179.16 1k9x h LYS 474 N 0.01 0.56 -0.60 1.05 1.57 -1.91 -0.67 116.57 116.58 1k9x h LYS 474 Ca 0.43 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.95 1k9x h LYS 474 Cb 0.70 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1k9x h LYS 474 CO -0.85 0.70 0.05 1.49 -0.57 0.00 0.00 179.45 180.26 1k9x h GLU 475 N 0.36 1.00 -0.31 3.15 4.81 -1.73 -2.25 114.58 119.62 1k9x h GLU 475 Ca 0.09 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 1k9x h GLU 475 Cb 0.44 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1k9x h GLU 475 CO 0.02 0.96 0.09 1.25 -0.73 0.00 0.00 179.01 180.60 1k9x h LEU 476 N 0.93 0.45 -0.65 1.64 5.85 -0.29 -2.10 115.31 121.14 1k9x h LEU 476 Ca 0.18 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1k9x h LEU 476 Cb 0.47 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1k9x h LEU 476 CO 0.02 0.53 0.29 0.25 -0.34 0.00 0.00 178.44 179.20 1k9x h LEU 477 N 0.34 0.87 -1.23 2.25 5.85 -0.95 -1.74 115.31 120.69 1k9x h LEU 477 Ca 0.10 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 1k9x h LEU 477 Cb 0.25 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1k9x h LEU 477 CO -0.00 0.77 -0.01 0.11 -0.34 0.00 0.00 178.44 178.97 1k9x h LYS 478 N 0.90 0.51 -0.14 1.25 1.57 -1.32 -0.76 116.57 118.58 1k9x h LYS 478 Ca 0.22 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 1k9x h LYS 478 Cb 0.15 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1k9x h LYS 478 CO -0.02 0.54 -0.40 -0.22 -0.57 0.00 0.00 179.45 178.78 1k9x h LYS 479 N 0.49 0.31 0.16 3.15 3.64 -0.81 0.42 116.57 123.91 1k9x h LYS 479 Ca 0.10 -0.14 -0.23 0.00 -1.27 0.00 0.00 60.65 59.11 1k9x h LYS 479 Cb 0.34 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1k9x h LYS 479 CO 0.01 0.66 -1.05 0.00 -2.27 0.00 0.00 179.45 176.80 1k9x h ALA 480 N 1.32 -0.05 0.00 5.00 0.00 -0.84 -3.41 119.26 121.29 1k9x h ALA 480 Ca 0.02 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1k9x h ALA 480 Cb 0.82 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1k9x h ALA 480 CO 0.07 0.53 0.00 0.44 0.00 0.00 0.00 179.25 180.28 1k9x n ILE 481 N -4.01 0.20 -1.22 0.00 -5.35 -0.34 -4.98 119.36 103.67 1k9x n ILE 481 Ca -0.17 -0.51 -0.07 0.00 -0.27 0.00 0.00 62.75 61.73 1k9x n ILE 481 Cb 0.89 1.04 -0.03 0.00 -1.74 0.00 0.00 39.64 39.80 1k9x n ILE 481 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1k9x n GLY 482 N -0.10 0.95 3.61 3.28 0.00 0.15 -5.00 105.19 108.08 1k9x n GLY 482 Ca 0.00 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.54 1.50 0.90 1.61 -1.05 -1.26 -4.97 118.70 112.89 1k9x s GLU 483 Ca 0.00 -0.73 -0.12 0.00 -0.15 0.00 0.00 54.97 53.96 1k9x s GLU 483 Cb 0.00 0.59 0.13 0.00 -0.44 0.00 0.00 34.13 34.41 1k9x s GLU 483 CO 0.00 -0.67 1.15 -0.51 0.95 0.00 0.00 175.26 176.18 1k9x s ASP 484 N -2.83 3.67 0.33 0.83 1.01 -1.26 -3.86 116.67 114.55 1k9x s ASP 484 Ca 0.06 0.89 -0.29 0.00 0.71 0.00 0.00 52.55 53.93 1k9x s ASP 484 Cb -0.03 -1.42 -0.10 0.00 1.01 0.00 0.00 42.92 42.38 1k9x s ASP 484 CO -0.04 -2.45 1.25 -0.32 0.21 0.00 0.00 175.17 173.83 1k9x s MET 485 N -5.37 4.39 -0.15 8.23 -2.45 -1.26 -5.02 119.30 117.67 1k9x s MET 485 Ca 0.64 2.10 -0.04 0.00 -1.25 0.00 0.00 55.69 57.14 1k9x s MET 485 Cb -0.13 -3.06 0.07 0.00 1.25 0.00 0.00 34.83 32.96 1k9x s MET 485 CO 0.52 -0.12 0.23 0.34 1.05 0.00 0.00 175.02 177.05 1k9x s ASP 486 N -0.62 0.80 0.63 1.11 2.15 -1.26 -5.02 116.67 114.46 1k9x s ASP 486 Ca 0.49 0.24 0.43 0.00 0.43 0.00 0.00 52.55 54.13 1k9x s ASP 486 Cb -0.37 0.51 2.32 0.00 -0.30 0.00 0.00 42.92 45.07 1k9x s ASP 486 CO 0.49 -0.27 2.30 0.00 -0.17 0.00 0.00 175.17 177.52 1k9x h ALA 487 N 8.31 1.00 -0.86 3.66 0.00 -1.92 -2.88 119.26 126.58 1k9x h ALA 487 Ca -0.15 0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.86 1k9x h ALA 487 Cb 1.13 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 1k9x h ALA 487 CO 0.19 -0.00 0.50 0.93 0.00 0.00 0.00 179.25 180.88 1k9x h GLU 488 N 0.00 0.81 -0.89 0.00 4.39 -1.95 -1.94 114.58 115.00 1k9x h GLU 488 Ca 0.00 -0.05 0.08 0.00 0.34 0.00 0.00 59.36 59.73 1k9x h GLU 488 Cb 0.00 -0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 28.40 1k9x h GLU 488 CO 0.00 0.54 0.55 1.88 -1.16 0.00 0.00 179.01 180.82 1k9x h TYR 489 N 0.84 1.01 -0.80 4.33 -1.99 -1.86 -1.68 116.97 116.82 1k9x h TYR 489 Ca 0.42 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 61.14 1k9x h TYR 489 Cb 0.38 -0.32 -0.04 0.00 2.00 0.00 0.00 36.73 38.75 1k9x h TYR 489 CO -0.05 0.48 0.34 0.35 -0.00 0.00 0.00 178.16 179.29 1k9x h PHE 490 N 0.97 1.19 -0.52 4.88 3.57 -1.56 -0.98 116.94 124.48 1k9x h PHE 490 Ca 0.40 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 1k9x h PHE 490 Cb 0.24 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 1k9x h PHE 490 CO -0.03 0.88 0.30 0.28 -2.23 0.00 0.00 178.31 177.51 1k9x h VAL 491 N 1.15 1.17 -0.67 1.41 2.07 -1.17 -1.63 116.25 118.57 1k9x h VAL 491 Ca 0.27 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1k9x h VAL 491 Cb 0.18 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1k9x h VAL 491 CO -0.03 0.18 0.35 -0.09 0.02 0.00 0.00 177.57 178.00 1k9x h ARG 492 N 0.69 0.95 -0.76 1.57 2.43 -0.84 -1.86 114.38 116.56 1k9x h ARG 492 Ca 0.18 -0.12 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1k9x h ARG 492 Cb 0.02 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.35 1k9x h ARG 492 CO -0.03 0.74 0.49 2.35 -1.51 0.00 0.00 179.97 182.00 1k9x h TRP 493 N 0.93 0.93 -0.32 2.20 7.01 -0.70 0.35 115.95 126.33 1k9x h TRP 493 Ca 0.23 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.21 1k9x h TRP 493 Cb 0.08 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 26.81 1k9x h TRP 493 CO -0.00 0.56 0.01 0.28 -2.79 0.00 0.00 178.44 176.50 1k9x h VAL 494 N 0.98 1.25 0.59 2.65 2.07 -1.06 -0.03 116.25 122.70 1k9x h VAL 494 Ca 0.29 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1k9x h VAL 494 Cb -0.05 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1k9x h VAL 494 CO -0.08 0.31 -0.40 0.11 0.02 0.00 0.00 177.57 177.52 1k9x h LYS 495 N 0.37 -0.91 -1.04 1.57 1.57 -0.98 0.35 116.57 117.50 1k9x h LYS 495 Ca 0.09 0.06 0.30 0.00 -1.87 0.00 0.00 60.65 59.23 1k9x h LYS 495 Cb 0.43 0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.90 1k9x h LYS 495 CO 0.01 -0.60 0.74 1.49 -0.57 0.00 0.00 179.45 180.52 1k9x h GLU 496 N -0.94 0.03 0.03 3.15 4.81 -0.95 0.55 114.58 121.27 1k9x h GLU 496 Ca -0.08 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.03 1k9x h GLU 496 Cb 0.76 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.15 1k9x h GLU 496 CO 0.06 0.02 -0.47 -0.22 -0.73 0.00 0.00 179.01 177.67 1k9x h LYS 497 N 0.03 0.26 0.00 1.92 1.63 0.15 -3.41 116.57 117.16 1k9x h LYS 497 Ca 0.50 -0.33 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1k9x h LYS 497 Cb 1.94 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 33.67 1k9x h LYS 497 CO -0.03 1.06 0.00 0.66 -3.45 0.00 0.00 179.45 177.70 1k9x n TYR 498 N -4.33 0.00 -0.19 1.91 4.02 0.11 -5.08 117.16 113.60 1k9x n TYR 498 Ca -0.11 -0.31 0.00 0.00 -0.01 0.00 0.00 57.90 57.47 1k9x n TYR 498 Cb 0.63 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.92 1k9x n TYR 498 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13